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  • Articles  (10,121)
  • American Institute of Physics (AIP)  (6,476)
  • International Union of Crystallography (IUCr)  (3,461)
  • Blackwell Publishing Ltd
  • 2000-2004  (10,121)
  • Chemistry and Pharmacology  (10,112)
  • Philosophy  (9)
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  • Articles  (10,121)
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  • 1
    Electronic Resource
    Electronic Resource
    SEGMENTATION APPROACHES THAT DIFFERENTIATE CONSUMPTION FREQUENCY FROM SENSORY PREFERENCE (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: People can eat a food without having a strong preference for it, and people can prefer a food without eating it. Given this seeming disconnect between attitude and behavior, which type of measure or segment can best be used to profile or identify loyal consumer segments of a food, such as soy? This research compares a usage-based method (heavy-light-nonusers) with a new attitude-based method (seeker-neutral-avoider), and finds that the attitude-based method differentiates purchase-related intentions better than the usage-based method. Implications for profiling consumer taste patterns and consumer segments are provided.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00151.x
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  • 2
    Electronic Resource
    Electronic Resource
    RESEARCH NOTE NUMERICAL SCALE-POINT LOCATIONS FOR CONSTRUCTING THE LAM (LABELED AFFECTIVE MAGNITUDE) SCALE (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In a recent paper, we described the development and application of a labeled affective magnitude (LAM) scale for assessing liking/disliking (Schutz and Cardello 2001). Here we present the exact numerical scale-point locations corresponding to the verbal labels of the scale, so that investigators can easily construct the LAM scale for use with either paper or computer-based ballots.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00152.x
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  • 3
    Electronic Resource
    Electronic Resource
    FRESHNESS IN ORAL CARE: ATTRIBUTES AND TIME-DEPENDENCY OF A MULTIDIMENSIONAL, DYNAMIC CONCEPT (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This article describes an exploration of the concept of ‘oral freshness’ for as far as it is important in oral care. It intends to consider the most important mouth sensations and cognitive connotations, including (but not restricted to) the well-known effect of menthol in toothpaste.Two aspects were given attention:(1) The attributes that together form the concept of oral freshness were investigated using a ‘personal construct approach’(Kelly 1955). This method consists of unbiased, structured interviews with subjects, and ultimately yields attribute dimensions that the subjects have in common.(2) The intensity of the freshness sensation over time was investigated using the Time-Intensity method. Subjects gave repeated freshness judgments every few seconds after the intake of a freshness-related stimulus, and continued to do so after the stimulus had left their mouth. In addition we asked for ‘overall’ freshness judgments directly after the TI-measurements and after 2 months.The results confirm that ‘oral freshness’ is a complex concept. We identified 6 attributes, some of which were perceptual/physiological and some cognitive in nature: ‘water’-ness, cool/cold-ness, taste (menthol-ness), clean-ness, smell, energy (texture and touch, e.g., bubbles). Different persons will generally give different importance weights to each of these 6 attributes.Time-intensity measurements show that temperature, menthol-content and, to some extent, the presence of bubbles (energy) influence the momentous sensation of freshness. It appears, however, that in the way freshness is remembered after a few months, mainly cleanness and taste (menthol-ness) are important. Apparently, people tend to value (temporary) sensory input during the actual freshness experience, but tend to remember the freshness result in the longer run.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00143.x
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  • 4
    Electronic Resource
    Electronic Resource
    EFFECTS OF SAMPLING CONDITIONS ON TEMPORAL PERCEPTION OF BITTERNESS IN YERBA MATE (ILEX PARAGUARIENSIS) INFUSIONS (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Time-intensity (TI) methodology and a trained panel were used to characterize the perceived bitterness of Yerba mate (YM) Ilex paraguariensis infusions. Two sampling procedures (sip and spit; sip and swallow) and two conditions for residence time in mouth (free or fixed duration of 5 s until spit or swallow) were evaluated.At a fixed duration the maximum bitterness as well as the time to reach it showed a significant YM concentration dependence. No change on bitterness was observed by swallowing or spitting YM infusions except a larger rate of decay of the response (vr) at spit condition. Dynamic bitterness at free sampling time showed that the decision period to spit or swallow the YM infusion approximately duplicated the fixed one of 5 s.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00144.x
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  • 5
    Electronic Resource
    Electronic Resource
    RELEASE OF ARTIFICIAL CHERRY FLAVOR FROM ICE CREAMS VARYING IN FAT AND FAT REPLACERS (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The effect of fat and fat replacers (FR) on the flavor release from cherry ice cream was investigated. Protein based FR, Simplesse (“S”) and carbohydrate based FR, Litesse (“L”) either partially or completely substituted milk fat in ice cream. Overall and temporal flavor profiles of ice cream during eating were obtained using chemical and sensory analyses. The performance of FR depended on the level of fat it was substituting and the amount of fat present in the ice cream. In the reduced fat ice cream group, both FRs failed to mimic the characteristics of 6% fat ice cream, mainly because of the low retention of cherry flavor. In the full fat ice cream group, the sensory properties of ice cream containing “L” were closer to the full-fat (12%) ice cream than those with “S”. The critical flavor volatile compounds that strongly impact the sensory flavor attributes were identified.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00145.x
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  • 6
    Electronic Resource
    Electronic Resource
    OPTIMIZATION OF A CHOCOLATE PEANUT SPREAD USING RESPONSE SURFACE METHODOLOGY (RSM) (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Response surface methodology was used to optimize formulations of chocolate peanut spread. Thirty-six formulations with varying levels of peanut (25-90%), chocolate (5-70%) and sugar (5-55%) were processed using a three-component constrained simplex lattice design. The processing variable, roast (light, medium, dark) was also included in the design. Response variables, measured with consumers (n = 60) participating in the test, were spreadability, overall acceptability, appearance, color, flavor, sweetness and texture/mouthfeel, using a 9-point hedonic scale. Regression analysis was performed and models were built for each significant (p 〈 0.01) response variable. Contour plots for each attribute, at each level of roast, were generated and superimposed to determine areas of overlap. Optimum formulations (consumer acceptance rating of ≥ 6.0 for all attributes) for chocolate peanut spread were all combinations of 29-65% peanut, 9-41% chocolate, and 17-36% sugar, adding up to 100%, at a medium roast. Verification of two formulations indicated no difference between predicted and observed values.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00146.x
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  • 7
    Electronic Resource
    Electronic Resource
    MIND-SETS OF THE WINE CONSUMER (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This paper presents the results from a study of consumer reactions to different attributes of red and white wine, with stimuli presented in the form of small, experimentally designed, test concepts (conjoint measurement). The results show that possibly four consumer mind-sets exist, with each mind-set comprising a different set of communication drivers for concept acceptance. Most subjects fit into one of three key categories; “Classics” (who want their wines to be traditional), “Imaginers” (who want to get into the drinking experience through knowing details about their wines) or “Elaborates” (who want their wines to produce many sensations and flavors). A fourth group (No Frills), were interested in simple and safe wines without any detail of flavor or origin. This segment was found in the red wine study, but not in the white wine study.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00138.x
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  • 8
    Electronic Resource
    Electronic Resource
    MOTIVATIONS FOR PRODUCT CONSUMPTION: APPLICATION OF A PROBABILISTIC MODEL TO ADOLESCENT SMOKING (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This paper describes a method that can be used to investigate consumers’ reported reasons for using a particular product. This method is applied to ratings of degree of agreement with statements about reasons for product use. The method is illustrated using data on self-reported reasons for smoking among adolescents. The approach used is based on a probabilistic model of similarity (Ennis et al. 1988) and provides a display of the density of respondents’ individual motivations concurrent with their perceptions of the statements. Factor analysis and its derived factor scores provide complementary information which is used to understand the interdependence of smoking motivations with the age of respondents and their degree of smoking. The probabilistic similarity model has many applications in studying consumer motivations such as those involved in the consumption of particular food and personal care products.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00139.x
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  • 9
    Electronic Resource
    Electronic Resource
    INFLUENCE OF HAZELNUT PASTE ON THE SENSORY PROPERTIES AND SHELF-LIFE OF DARK CHOCOLATE (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The addition of hazelnut paste to dark chocolate formulations altered the sensory profile. The flavors chocolate, burnt, rancid, hazelnut, green and metallic, and the texture attributes hardness, graininess, consistency of melt, viscosity and onset of melt determined by descriptive analysis were significantly (P 〈 0.05) influenced by the addition of up to 10% hazelnut paste. The shelf-life of dark chocolates containing hazelnut exceeded 10 months. The textural attributes of hardness, consistency of melt and onset of melt were highly correlated to instrumental measurements.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00141.x
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  • 10
    Electronic Resource
    Electronic Resource
    SELECTION OF AN ASTRINGENCY REFERENCE STANDARD FOR THE SENSORY EVALUATION OF BLACK TEA (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Astringent and bitter sensations are characteristic sensory qualities of black tea. Three different classes of potential astringent reference standards (two concentrations each of alum and tannic acid and three fruit juices) were evaluated in this study. The perceived astringency, bitterness and sourness of each were profiled using computerized time-intensity and compared with the astringent intensity of a standardized brew of black tea. The differences in temporal profiles of potential reference standards across taste attributes were evident and intensity ratings were found to be dependent upon the stimulus and its concentration. Both concentrations of tannic acid were evaluated as the highest in perceived bitterness. For the juices, a strong sour taste was perceived in addition to astringency. It was concluded that the best reference standard for the astringency of black tea is a solution of 0.7 g/L alum as it is low in perceived bitterness and sourness.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00140.x
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  • 11
    Electronic Resource
    Electronic Resource
    AIMS AND SCOPE OF THE JOURNAL OF SENSORY STUDIES (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00131.x
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  • 12
    Electronic Resource
    Electronic Resource
    COMPARISON OF NEW AND EXISTING METHODS FOR THE CLASSIFICATION OF INDIVIDUALS ACCORDING TO 6-N PROPYLTHIOURACIL (PROP) TASTER STATUS (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: We developed an alternative method for the determination of 6-n propylthiouracil (PROP) taster status that is based on the comparison of intensity ratings of PROP solutions with intensity ratings of visual, tactile, and kinesthetic (physical) stimuli. We then compared the classification obtained with this method to those derived from traditional approaches. One hundred and forty-two subjects rated the perceived intensity of 0.000032, 0.00018, 0.00032, 0.0018, and 0.0032 M PROP, and 0.01, 0.032, 0.1, 0.32, and 1.0 M NaCl, as well as five levels each of perceived roughness of sandpaper, grayness of shades, and thickness of honey and water mixtures on the Labeled Magnitude Scale (LMS). Ratings for 0.00032 M PROP and 0.1 M NaCl were also compared in a one solution test. Subjects were classified as PROP nontasters, tasters or supertasters by all three procedures. Seventy-six percent of panelists were classified in a similar way by the physical stimuli and NaCl procedures, while 70% percent of panelists were classified similarly by the physical stimuli procedure and the one solution test, as well as by the NaCl procedure and the one solution test. Only 65% of panelists were classified similarly by all three procedures. Further, in replicate ratings of PROP solutions, supertasters’ evaluations of PROP at all concentration levels decreased significantly (P 〈 0.01) from the first to the second rating. It is evident from these findings that the method used to determine PROP taster status can greatly influence the outcome of any investigation of PROP taster status on other phenotypes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00142.x
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  • 13
    Electronic Resource
    Electronic Resource
    INDUCTION OF SCALING ERRORS (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Judges were required to rate the total intensity of NaCl solutions using a variety of unstructured category and line scales under a ‘rank-rating’ protocol and a traditional protocol that did not allow retasting or the reviewing of scores. The various scales and protocols induced two types of scaling errors. The first type was named a different-stimulus error. This involved a judge rating a stronger stimulus as equal to or less than a weaker stimulus. The second type was named a same-stimulus error. This involved a judge giving different ratings to two stimuli of equal concentration. For all scales, judges made a higher proportion of same-stimulus errors than different-stimulus errors. ‘Rank-rating’ only reduced the proportion of different-stimulus errors. It was hypothesized that a category scale with fewer categories would induce a higher level of different-stimulus errors but lower level of same-stimulus errors. These trends were noted but not always significantly. For line scales, the equivalent hypotheses regarding line length were either weak or not supported. It would appear that increasing the length of a line scale is not always equivalent to increasing the number of categories in a category scale.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00147.x
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  • 14
    Electronic Resource
    Electronic Resource
    PANEL PERFORMANCE AND NUMBER OF EVALUATIONS IN A DESCRIPTIVE SENSORY STUDY (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The assessor performance is a key point in a sensory evaluation. In particular, at the end of a session, a decrease of the performance can be feared. We propose to analyze this performance with various criteria: usual ones as the main product effect or the error variance; a new one measuring the perceived products variability. The performance can then be studied all along the session from two points of view: in taking into account the only products tested at a given instant (named instantaneous); in taking into account all the products tested up to a given instant (named cumulative). In the presented example, in spite of the large number of products successively tested by each assessor, the instantaneous performance of the panel shows no significant deterioration. Furthermore, when the number of products tested by each assessor increases, more significant product effects can be obtained thanks to the accumulation of the amount of data. This shows that the number of products that can be reasonably studied by one assessor during one session is generally underestimated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00148.x
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  • 15
    Electronic Resource
    Electronic Resource
    ASSOCIATION OF STRAWBERRY YOGURT SENSORY PROPERTIES WITH PRODUCT COMPOSITION BY PROCRUSTES ANALYSIS (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The flavor of eight samples of commercial strawberry yogurt was studied by Free-Choice Profile analysis (FCP). Generalized Procrustes Analysis (GPA) applied to FCP allowed differentiation between samples and highlighted flavor attributes responsible for the observed differences. The relation between sensory and physicochemical datasets was studied by means of GPA. Those samples with higher carbohydrate content were perceived as sweeter, having stronger strawberry flavor, and with more dairy and yogurt flavors. Samples with higher titratable acidity, ash and protein content were perceived as more acidic and higher in intensity of “faulty” or “defective” flavors. Higher moisture content was associated with lower intensity of “dairy” flavors (creamy, dairy, and yogurt) and greater intensity of rancid flavor. It is concluded that, though not often used to this end, GPA is a suitable method to study the relationship of sensory and instrumental measurements.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00149.x
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  • 16
    Electronic Resource
    Electronic Resource
    EVALUATION OF OLFACTORY INTENSITY: COMPARATIVE STUDY OF TWO METHODS (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Two experimental procedures recommended for the evaluation of the psychophysical characteristics of odorous compounds, olfactory matching with the 1-butanol scale and cross-modality matching with the finger span are compared. The intensity of ethyl butyrate and guaiacol solutions presented at four different concentration levels was evaluated by a panel of sixteen subjects over five repetitions using the two methods. Each stimulus was delivered to the subject from a Teflon bag through a nose-shaped glass sniffing port.The discrimination ability, repeatability, panel homogeneity and within-subject variability of the methods were assessed. Results indicate that with both methods, subjects were able to highly discriminate the presented concentration levels of the odorants. There were no great difference in repeatability and the same individual variability was observed between both methods. However, the smaller within-subject variability highlighted for the 1-butanol scale method suggested that this method is potentially more powerful than finger-span method.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00150.x
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  • 17
    Electronic Resource
    Electronic Resource
    EVALUATION OF THE CHARACTER IMPACT ODORANTS IN SKIM MILK POWDER BY SENSORY STUDIES ON MODEL MIXTURES (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The objective of this study was to verify key aroma-active compounds responsible for reconstituted fresh skim milk powder (SMP) aroma using threshold analysis, odor activity values, and model systems. Twelve odor-active compounds of SMP and one odor-active compound from fluid milk were selected based on flavor dilution factors from gas chromatography-olfactometry. Thresholds for the 13 odor-active compounds were identified using five-set ascending forced choice threshold analysis in odor-free water and fluid skim milk. Model systems were prepared using rehydrated milk retentate (RMR). The aroma of each model was evaluated by descriptive sensory analysis and by difference-from-control testing using a trained panel. The aroma of reconstituted fresh SMP and liquid skim milk were used as controls. Models containing a mixture of twelve of the thirteen chemicals had the most similar odor characteristics to rehydrated SMP aroma (9.0/10) indicating that these compounds constitute the character impact odorants of rehydrated fresh SMP.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00132.x
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  • 18
    Electronic Resource
    Electronic Resource
    SENSORY CHARACTERISTICS OF CHEMICAL COMPOUNDS POTENTIALLY ASSOCIATED WITH BEANY AROMA IN FOODS (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The sensory characteristic “beany” is a limiting factor in introducing soy products to many consumers in western cultures. This research described sensory properties of beany flavor and described sensory odor characteristics of 19 chemicals that have been associated with beany aroma and flavor in previous literature. Seven concentrations varying from 1 to 100,000 ppm of each chemical (if soluble in propylene glycol) were examined by a five member trained descriptive panel. The panel described beany as having multiple attributes. Musty/earthy, musty/dusty, sour aromatics, and characterizing attributes such as green/pea pod, nutty, or brown collectively imparted beany aroma and flavor of most beans. Starchy flavor and powdery texture also were intrinsically associated with beany in bean product samples. Some chemicals tested were not beany at any level tested. Three alcohols, two ketones, one aldehyde, and one pyrazine exhibited beany characteristics (green/peapod or brown) only at low concentrations, generally 1-10 ppm.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00133.x
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  • 19
    Electronic Resource
    Electronic Resource
    WHAT FEATURES DRIVE RATED BURGER CRAVEABILITY AT THE CONCEPT LEVEL? (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This paper deals with the analysis of drivers for self-defined craveability assessed in an Internet-based, conjoint analysis task. The stimuli comprised 36 descriptions of restaurant hamburgers, including product features, benefits, restaurant names, and emotional reactions that might ensue after eating the hamburger. Elements were combined into concepts by experimental design, and the resulting concepts evaluated by 145 respondents, on the attribute of craveability. Models relating the presence/absence of concept elements to ratings revealed that statements about the hamburger itself were the most powerful, but that no single element was highest across all the respondents. Segmentation of the 145 individuals by the pattern of their individual utilities revealed four key segments. These are Elaborates who may be sensory-oriented and respond strongly to product descriptions; Classics who like the notion of a grilled hamburger; Imaginers who respond to restaurant name and advertising copy; and Emotionals who respond to statements about food to descriptions how the eater feels after consumption.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00134.x
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  • 20
    Electronic Resource
    Electronic Resource
    A COMPARISON OF CATEGORY AND LINE SCALES UNDER VARIOUS EXPERIMENTAL PROTOCOLS (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Judges were required to rate the total intensity of NaCl solutions and the sweetness of orange flavored beverages using a variety of unstructured category and line scales. Discrimination errors were noted for each type of scale. No strong differences were observed in discrimination between category and line scales although a 20-point category scale incurred fewer discrimination errors than 9-point category and line scales. Allowing judges to retaste stimuli and review and modify their scores reduced discrimination errors.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00135.x
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  • 21
    Electronic Resource
    Electronic Resource
    ERRATA (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00137.x
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  • 22
    Electronic Resource
    Electronic Resource
    RELATIONSHIP BETWEEN ORAL AND NONORAL EVALUATION OF TEXTURE IN ACID MILK GELS (2004)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 19 (2004), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The objectives of this study were to compare oral and nonoral sensory evaluation for discrimination of texture of acid skim milk gels and to establish whether nonoral attributes could be correlated to the oral perception of texture. Trained panelists (n = 13) identified 11 nonoral (visual and in-hand) and 4 oral attributes during a preliminary profiling session that could be used to discriminate textures (P 〈 0.001) in a range of acid gels prepared with different solid contents and heat treatment of the milks. Both methods of sensory appraisal were found to discriminate between gels. Correlation analysis showed high interrelationship between individual oral and nonoral attributes (P 〈 0.01). Principal component analysis revealed that all 4 oral attributes could be combined into one single attribute (PC1), with equal relative importance of the individual attributes in explaining the variance in the oral sensory data set. Canonical correlation analysis revealed good correlation between the oral and nonoral set of attributes (R2 〉 87.5%).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2004.tb00136.x
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    Executive Summaries (2003)
    Oxford, UK and Boston, USA : Blackwell Publishing Ltd
    Business ethics 12 (2003), S. 0 
    Details
    ISSN: 1467-8608
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Philosophy , Economics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/1467-8608.00311
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    The case against Microsoft: An ethical perspective (2003)
    Oxford, UK and Boston, USA : Blackwell Publishing Ltd
    Business ethics 12 (2003), S. 0 
    Details
    ISSN: 1467-8608
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Philosophy , Economics
    Notes: This paper discusses the complex Microsoft anti-trust trial and the company 's questionable behavior during the browser wars with Netscape.It reviews the essentials of the legal case against Microsoft along with the company 's efforts to refute the charges against it, including the presumption of monopoly power. After laying the groundwork by providing conceptual background on the notion of fair competition, the paper turns to an ethical analysis of Microsoft 's conduct. We conclude that Microsoft 's behavior was excessively opportunistic during the browser wars.The company did not compete constructively or positively, but instead sought to undermine the competitive process.It also developed biased software code that tilted the playing ?eld in its direction.These actions caused harm to the company 's stakeholders by obstructing consumer choice and impeding innovation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/1467-8608.00312
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    Business ethics in the Netherlands: a survey (2003)
    Oxford, UK and Boston, USA : Blackwell Publishing Ltd
    Business ethics 12 (2003), S. 0 
    Details
    ISSN: 1467-8608
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Philosophy , Economics
    Notes: This article presents the results of a survey into the integrity of Dutch organisations. The Corporate Ethics Qualities Model has been used to develop a questionnaire:the Corporate Integrity Barometer. The endings show a varied picture of different kinds of integrity infringements and the weak and strong aspects of the ethical climate of Dutch organisations. The results provide organisations with tools to manage the integrity of their organisation and to benchmark their own level of integrity. By conducting this kind of research in other countries, we are able to gain a better understanding of the specifc ethical climate and salient issues relating to the integrity of corporations in each country.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/1467-8608.00316
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    Anglo-Saxification of Swedish business: working paper within the project ‘Scandinavian Heritage’ (2003)
    Oxford, UK and Boston, USA : Blackwell Publishing Ltd
    Business ethics 12 (2003), S. 0 
    Details
    ISSN: 1467-8608
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Philosophy , Economics
    Notes: An increasingly globalised world challenges old orders, structures and arrangements. This becomes especially apparent in the ?eld of international business, where mergers, acquisitions and foreign direct investment can trigger job cuts, divestment and the closing-down of traditional industries. For this reason mergers and acquistions are sensitive issues. When two companies from different countries merge, or when a ?rm is purchased by a foreign actor, a new dimension enters into the life of the companies. This is very likely to cause worry and unrest among employees. In such a situation con?icts and clashes may arise and old values and norms may be challenged by the new order. In this paper we examine that issue. A special focus will be given to the con?icts and clashes that can be the consequence of such an encounter between old and new. We shall exemplify this with a case concerning a Swedish company recently bought by an American competitor. The particular aspect of the problem that we are interested in is the in?uence of the new ownership on the ethical values and virtues of the Swedish company. We look speci?cally at the sense in which the changes in the ethical ?eld are expressions of a new Anglo-Saxon shareholder-oriented model, as opposed to a more traditional Scandinavian stakeholder model.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/1467-8608.00317
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    Competence and trust guardians as key elements of building trust in east-west joint ventures in Russia (2003)
    Oxford, UK and Boston, USA : Blackwell Publishing Ltd
    Business ethics 12 (2003), S. 0 
    Details
    ISSN: 1467-8608
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Philosophy , Economics
    Notes: This paper summarises the author 's doctoral research on the development of interpersonal/interorganisational trust in relationships between expatriate and Russian staff working in east-west enterprises in Russia. There is strong evidence from a variety of researchers to suggest that in order for western businesses investing in Russia to succeed, the dif.cult process of building trust needs to be understood and managed since in the Russian business climate western standards and norms of ethical business have not yet been established. According to research.ndings, western investors doing business in Russia and the long-term, personal trust that characterises family and friend relationships more congenial and more productive than formal, arm's-length contacts and contracts. In such a context, it becomes important to identify what creates and destroys trust in the post-Soviet business environment. This paper describes the causal factors leading to trust or lack of trust in relationships within western-invested strategic alliances in Russia. The key relationship under consideration is the one between expatriate western staff and managers seconded to the venture on the one hand, and their local Russian staff, counterparts and superiors on the other.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/1467-8608.00318
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    Ethical perceptions of Asian managers: evidence of trends in six divergent national contexts (2003)
    Oxford, UK and Boston, USA : Blackwell Publishing Ltd
    Business ethics 12 (2003), S. 0 
    Details
    ISSN: 1467-8608
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Philosophy , Economics
    Notes: Global link building is having a substantial impact in every sphere of Asian managerial activity. The economic upheavals of the Asian ?nancial crisis have cast a long shadow, and ethical clarity has become a social issue. For instance, corporate performance in terms of long-term survival, growth and global competency is seen to depend to a considerable extent upon the ethical infrastructur of managers and emerging managerial culture in Asia. One ?eld in which Asian managers and their managerial practices are often considered weak is the area of ethical clarity. Corporate managerial leaders in Asia need to develop new responses to the ethical complexities arising out of the increasing global interfaces. In spite of a growing awareness of the importance of ethical centrality in an intensely competitive international business arena, very little empirical work has been conducted to strengthen the relevant management literatures. The purpose of the research reported in this paper was to examine the perceptions of ethical probity among managers in six Asian countries. The results of the study indicate interesting convergences and divergences across countries and organisational demographies. The ?ndings lead to observations of the apparent similarities of ethical conceptualisation in global, societal and often in the organisational arena while revealing noticeable divergences in the domain of individual ethical perceptions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/1467-8608.00319
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    Whistleblowing and media logic: a case study (2003)
    Oxford, UK and Boston, USA : Blackwell Publishing Ltd
    Business ethics 12 (2003), S. 0 
    Details
    ISSN: 1467-8608
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Philosophy , Economics
    Notes: Most analyses of whistleblowing are concerned with the whistleblower as an actor or with the act of whistleblowing itself. However, as soon as the whistleblower enters the public arena, a social dynamic emerges of interdependent actors with different responsibilities and different interests.Such a dynamic demands a more comprehensive approach in which the motives of the different actors in the public debate are taken into account.This approach is developed here using an exemplary case of whistleblowing that took place in a Dutch research institute.The intensive media attention damaged both the institute and the whistleblower.In retrospect this could have been avoided.In our analysis we give extra attention to the motives involved and to the inevitability of media logic.In order to avoid unnecessary damage we recommend guidelines to the three basic actors:the whistleblower, the organization and the media.
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    URL: http://dx.doi.org/10.1111/1467-8608.00314
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    Ethical judgments and intentions: a multinational study of marketing professionals (2003)
    Oxford, UK and Boston, USA : Blackwell Publishing Ltd
    Business ethics 12 (2003), S. 0 
    Details
    ISSN: 1467-8608
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Philosophy , Economics
    Notes: A multinational study of marketing professionals was conducted in the US, England, Spain and Turkey. Respondents from these countries were compared on various ethics-related constructs such as idealism, relativism, moral intensity and corporate ethical values. Analyses of variance indicated that moral intensity had a signi ?cant impact on both ethical judgments and behavioral intentions. However, corporate ethical values, an idealistic ethical perspective and a relativistic ethical perspective only partially impacted ethical judgments and intentions. Country differences showed that the US was highest in terms of corporate ethical values while being the lowest in terms of relativism and signi?cantly lower than Spain and Turkey in terms of idealism. Turkey was the highest in terms of both idealism and relativism yet lowest in terms of corporate ethical values. Country differences in terms of moral intensity tended to be situation-speci?c. One managerial implication, for ?rms in all four countries, is that a clear set of corporate policies concerning ethics can positively in?uence the behavioral intentions of employees. It is important that employees do not misinterpret the desires of top management where ethical issues are involved.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/1467-8608.00315
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    Saints and CEOs: an historical experience of altruism, self-interest and compromise (2003)
    Oxford, UK and Boston, USA : Blackwell Publishing Ltd
    Business ethics 12 (2003), S. 0 
    Details
    ISSN: 1467-8608
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Philosophy , Economics
    Notes: At a time when social and ethical responsibilities of companies and CEOs are being increasingly emphasised, this paper examines conduct of social business in a different age and culture to discern features of enduring relevance for ethical business practices today.The personal correspondence of three fourth-century saints gives insights into their relationships and decision-making.Community expectations were those of sharing rather than of outright giving, with ‘fusion of interest’ prevailing over concerns for ‘con?ict of interest’. Selected incidents show two entrepreneurial bishops, Basil and Gregory of Nyssa, struggling to balance tensions between ’liberality’ and ‘fairness’.They compromised, competed robustly for revenues and were vexed over limited budgets and resources for projects while their disapproving cousin, the academic Gregory of Nazianzus, criticised their worldliness. Their historical experiences suggest four pragmatic and possibly normative ways of blending altruism and self-interest for the overall advancement of bene?cial change.
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    URL: http://dx.doi.org/10.1111/1467-8608.00313
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    USE OF COMPUTER-GENERATED IMAGES AND CONJOINT ANALYSIS TO INVESTIGATE SENSORY EXPECTATIONS (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Consumers unfamiliar with passion-fruit juice were presented with 24 computer generated package images on which six packaging factors (background color, picture, information, brand, language and shape) had been manipulated and asked to give scores for six expected sensory attributes (sweetness, pureness, sharpness, refreshing, freshness, naturalness) and liking. Significant effects were obtained for each attribute, with background color and information being the most important. Consumers varying in Need For Cognition (NFC) were affected differently by the investigated features of the package. High NFC individuals used less of the packaging factors than low NFC subjects did.
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    PERCEIVED EATING DIFFICULTIES AND PREFERENCES FOR VARIOUS TEXTURES OF RAW AND COOKED CARROTS IN YOUNG AND ELDERLY SUBJECTS (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The aim of the study was to determine how those texture attributes that elderly people find difficult to eat are related to their preferences for different modifications of carrot textures. This study was conducted with same methods in Finland and in the United Kingdom (UK). Trained sensory panels in both countries described sensory profiles of a range of carrot samples with same glossary of texture terms. The texture of carrot samples was manipulated using different preparation and cooking methods. Based on the Principal Component Analysis (PCA), boiled and puréed samples were perceived as soft, wet, pulpy and smooth, whereas raw samples were dry, brittle, rough, crispy and crunchy. Two age groups were used for the consumer tests: a young adult group aged 23 to 40 years, mean 32 (Finland) and 33 (UK) and an elderly group aged over 60 years, mean 75 (Finland) and 76 (UK). Both the elderly and young adult respondents considered samples as difficult to eat if they needed a long chewing time, were crunchy, hard, brittle, dry, rough or sharp, such as raw slices and coarsely grated samples. On the other hand, slimy, wet, smooth, soft and pulpy samples, such as boiled carrots and purée, were considered as easy-to-eat. The young adults liked more difficult textures such as rough, crispy, crunchy and hard than did the elderly respondents, but the easiest textures were not liked by either age group. Subjects with dental deficiencies liked easier textures more than those fully dentate.
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    AROMA CHARACTERIZATION OF COMMERCIAL RED WINES OF URUGUAY (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Aroma evaluation of 14 commercial red wines of the Uruguayan market (5 Tannat, 5 Cabernet Sauvignon and 4 Merlot) was done by descriptive analysis. Generalized Procrustes Analysis applied to the data allowed differentiating among the three groups of samples and obtaining sensory attributes that were responsible for these observed differences. The samples of Tannat were differentiated from Cabernet and Merlot samples and their aroma profile was characterized by secondary and tertiary descriptors of: berry (blackcurrant), dried fruit (prune), resinous (oak), spicy (liquorice) and microbiological (yeasty).
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    CONSUMERS REPORT PREFERENCES WHEN THEY SHOULD NOT: A CROSS-CULTURAL STUDY (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: If a chi-squared analysis were to be performed to determine whether preferences were significant in a paired preference test, the appropriate expected frequencies in the analysis would represent those that would occur should the consumers have no preference. One way of determining these ‘no preference’frequencies, for a particular test situation, would be to note the preference responses obtained when the stimuli were putatively identical. Over 2000 consumers were given paired preference tests in which the stimuli were putatively identical. Response conditions and consumer groups were varied and the proportions of preference and no preference responses were noted. In a preliminary experiment, further research was seen to be justified when for putatively identical stimuli, judges did not exclusively express lack of preference; many expressed a preference for one or other of the stimuli. Further experiments were conducted using a written response condition and putatively identical potato chips (potato crisps) as stimuli. Using a single ‘no preference’option, variation in the placement of this option at either first, second or third place on the response sheet had no significant effect on the response frequencies. The proportion of ‘no preference’responses was approximately 30% in all cases. A previously reported 40-20-40 distribution was not always confirmed. The experiment was repeated with Korean consumers; these had fewer ‘no preference’responses. Deriving preferences from hedonic scales, rather than having judges respond to preference options, increased the proportion of ‘no preference’responses, with American judges still having more than Korean judges. Yet there are logical objections to extracting preference data from hedonic scales. Increasing the number of ‘no preference’options to two or three, had the effect of increasing the number of ‘no preference’responses up to as much as approximately 60%. Extending the results to Koreans, using two ‘no preference’options, it was seen that only the judges in an anonymous response condition had significantly fewer ‘no preference’responses than Americans. The use of these response frequencies as expected frequencies in chi squared analyses was illustrated, after adjustments for counterbalancing.
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    TEXTURE-FLAVOR INTERACTIONS IN LOW FAT STIRRED YOGURT: HOW MECHANICAL TREATMENT, THICKENER CONCENTRATION AND AROMA CONCENTRATION AFFECT PERCEIVED TEXTURE AND FLAVOR (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The influence of thickening agent (0 and 7g/L), mechanical treatment (low and high) and flavoring agent concentration (2.2 to 63.2 μL/kg) on texture, taste and aroma of low fat stirred yogurts was investigated through sensory profiling by a panel of ten subjects trained on 13 attributes. Two assessment conditions were used: either in the presence or in the absence of olfactory perception (nostrils closed with nose clips). Sensory differences were greater for texture than for the other perception modalities. Olfactory perception enhanced yogurt astringency. If both thickener addition and mechanical treatment influenced texture attributes and rheology, the second factor had the strongest effect. Texture attributes were highly correlated with rheological parameters. Increasing flavoring agent concentration tended to decrease thickness and the addition of thickening agent depressed green apple notes and sweet taste, suggesting texture/flavor interactions.
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    THE ROLE OF THE KNOWLEDGE OF COLOR AND BRAND NAME ON THE CONSUMER'S HEDONIC RATINGS OF TOMATO PUREES (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The objective of study was to assess the influence of the knowledge of color and brand name on consumer response to tomato purees. From focus group interviews it was found that taste and odor of fresh tomato were the most important drivers of consumer choice. To quantify that information a questionnaire was developed and it was submitted to fifty consumers of tomato puree. The questionnaires answers confirmed those coming from the focus group, although same discrepancies were found with those derived from the consumer test. Results showed that color and brand name seemed to be more important than taste and odor of fresh tomato, in fact those attributes, when consumers were tasting samples, affected not only hedonic judgments but sensory perception as well. Finally physico-chemical parameters derived from instrumental measurements have been compared to sensory data by means of PCA in order to validate the consumers’assessment of sensory attributes of tomato puree.
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    SENSORY FLAVOR PROFILING AND MAPPING OF REGIONAL VARIETIES OF CORIANDER (CORIANDRUM SATIVUM L.) (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Spices and condiments have been considered virtually indispensable in the culinary art. The quality of spices varies depending on the region of cultivation, climatic conditions and storage history. In the present study, coriander from 8 regions of India, labeled as R1 to R8, were examined for sensory quality by conducting threshold test, time-intensity study and flavor profiling. Principal component analysis (PCA) was carried out to group the samples. Threshold values ranged from 0.010 to 0.035% with R7 showing lower values for threshold (0.010%) followed by R8 (0.020%). Higher intensity of aroma of R7 and R8 was further confirmed by more of lingering aroma as shown by time intensity study. Flavor profiling by quantitative descriptive analysis showed that the coriander samples from different regions did not differ significantly (P± 0.05) in almost all attributes except for spicy aroma. Mapping of samples using PCA technique showed that the samples occupied different quadrants based on the intensity of attributes. Sample R7 and R8 were found to be grouped close together, and R5 and Reformed another group.
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    THE INFLUENCE OF BITE SIZE AND MULTIPLE BITES ON ORAL TEXTURE SENSATIONS (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The influence of bite size on sensory mouthfeel and afterfeel sensations was explored in two studies in which single bites of vanilla custard desserts were varied from itollmL (study 1) and in which series of five bites of two different custard desserts were presented consecutively (study 2). In single bites, sensations of perceived creaminess were enhanced with size whereas sensations of astringency and temperature were suppressed. Bite size also affected perceived thickness, but the direction of the effects varied with custard desserts. With multiple bites, creaminess sensations continued to increase, whereas other sensations were unaffected. Switching to a second series of bites of another vanilla custard dessert showed larger sensory effects, especially on astringency sensations but also to a lesser extent on sensations of thickness and fatty afterfeel. Single and multiple bite results are discussed in terms of possible peripheral mechanisms. Switching results are discussed in terms of possible central sensory contrast mechanisms.
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    ACCEPTABILITY OF MESQUITE AS A FLAVORING AGENT AMONG NATIVE AMERICANS IN ARIZONA (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Mesquite (Prosopis sp.) is a fast-growing tree that produces abundant amounts of pods. Although these pods were once part of the diet of Southwest Native Americans, little is known today regarding the acceptability of mesquite flour. We standardized a recipe using mesquite flour with a commercially available ready-to-eat cereal product and tested the acceptance of the product with Native American participants (n=84). Participants were asked to complete a food acceptability survey and a food action rating survey to determine taste sensory perception and expected frequency of consumption. Although participants were significantly more likely (P= 0.008) to prefer the cereal without mesquite than with the mesquite added, participants reported favorable acceptability with the cereal, both with and without mesquite flour added. The results of the FACT food frequency survey were positive for both the product with mesquite added and without, with no significant difference (P= 0.07) between the two. These data support the potential for mesquite to be reincorporated as an acceptable ingredient in modern diets of Native Americans.
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    DESCRIPTIVE ANALYSIS OF CARAMEL TEXTURE (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Oral sensory evaluation of caramel texture was conducted using six texture terms and results were compared to instrumental testing of texture. Trained panelists (n = 11) evaluated 6 caramel formulations by descriptive analysis. Mean texture values indicated that a slight increase in sweetened condensed skim milk and vegetable fat content (1% w/w at a 2:1 ratio) significantly decreased stickiness (P≤ 0.05). Decreasing corn syrup dextrose equivalent (DE) decreased stickiness and increased hardness (P≤ 0.05). Pearson correlation coefficients revealed that stickiness to teeth while chewing, toothpacking, and tooth adhesiveness were highly correlated with one another (P≤ 0.05). Sensory hardness, cohesiveness, and number of chews were correlated with the rheological properties of storage modulus and viscosity, while stickiness was correlated with probe tack force (P≤ 0.05). Such correlations show that fundamental rheological and tack force measurements can be used to help determine molecular mechanisms for sensory texture and stickiness.
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    THE DESIGN OF REPLICATED DIFFERENCE TESTS (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: We show that adding replications in replicated difference tests results in larger power and smaller variance when the number of assessors is fixed. On the other hand, when the number of total assessments is fixed, the power usually decreases and the variability increases whenever replications are considered instead of different assessors. The appropriate numbers of assessor needed to gain the same power and variability, respectively, when replications are used will be given. It is shown that the number of assessors might indeed be reduced, but this has to be paid for by an increasing total number of assessments. We show that two key models, namely the mixture binomial and a corrected version of the Beta-binomial model, are quite similar with respect to the properties of interest. We provide tables from which, according to her/his requirements, the investigator might find an appropriate setting with respect to the number of assessors and replications.
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    ATTRIBUTES BELIEVED TO IMPACT FLAVOR: AN OPINION SURVEY (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
    Details
    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The definition of “flavor” is a term that appears to vary from one area to the next. A survey was conducted on 140 individuals in various areas of specialization (agriculture, food science, sensory evaluation, and the chemical senses) to see what sensations are thought to be involved in “flavor,” as well as whether there were any differences in definitions across groups. The results demonstrate that while a fairly stable definition of the term does exist, there is some difference in what different groups of expertise mean when they refer to “flavor.”
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2003.tb00393.x
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    CATEGORY APPRAISAL WITHIN A LIMITED PRODUCT RANGE: A METHODS-ORIENTED CASE HISTORY (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This paper presents the author's approach to synthesizing useful direction from product testing when the stimuli are not systematically varied. The approach presented here comprises a research design and data analysis strategy, rather than a conventional product optimization with subsequent validation. The design steps comprise stimulus selection, attribute selection, and product evaluation. The data analysis comprises univariate modeling to show how sensory attributes drive overall liking, reduction of the matrix to factor scores for multivariate modeling, and then the creation of an integrated product model. The outcome is a set of factor scores that can be translated to sensory attributes and in turn to target products.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2003.tb00384.x
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    PSYCHOPHYSICAL PROPERTIES OF MECHANICAL ORAL IRRITATION (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A number of commonly consumed fruits and vegetables (e.g., kiwifruit, pineapple and taro) cause oral irritation, and there is anecdotal evidence that this influences the acceptability of such products. In each of these foods, oral irritation is produced by free crystalline calcium oxalate (raphides). The psychophysics of the mechanical oral irritation caused by raphides was studied in two experiments using a model system based on kiwifruit. In the first experiment, the location of irritant sensations and perceived intensity of the irritation caused by suspensions of raphides were determined using a ten-member trained sensory panel. Stinging and numbing were found to increase significantly with increasing concentrations of raphides. Stinging occurred principally on the tongue as well as in the throat and numbing principally on the tongue. The number of oral areas irritated was shown to increase with raphide concentration and to decrease over a 60-min period. In the second experiment, sugars (fructose, sucrose, glucose and inositol), acids (citric, malic and quinic) and an enzyme (actinidin) were added to the model to examine interactions between these chemical stimuli and the mechanical action of the raphides. Addition of acids to the model was shown to enhance irritation in addition to increasing sourness and suppressing sweetness. The addition of actinidin had no significant effects on irritation or tastes. It is suggested that acidity may aggravate irritation at low raphide concentration, but beyond a critical level of mechanical irritation the presence of acids has little additional effect. These results provide the first detailed data of the psychophysics of mechanical oral irritation in food, and have important implications for producing foods with lower levels of irritation and increased acceptability.
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    URL: http://dx.doi.org/10.1111/j.1745-459X.2003.tb00392.x
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    DETERMINATION OF THE SENSORY ATTRIBUTES OF DRIED MILK POWDERS AND DAIRY INGREDIENTS (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A standardized descriptive language for skim milk powder and dried dairy ingredients was developed. The lexicon was initially identified from a large sample set of dried dairy ingredients (138). A highly trained descriptive panel (n = 14) refined terms and identified references. Dried dairy ingredients (36) were then evaluated using the developed language. Twenty-one descriptors were identified for dried dairy ingredients. Seventeen flavors and tastes were identified in skim milk powders (27) with nine flavors/tastes observed in all skim milk powders. Dried dairy ingredients were differentiated using the language (P〈0.05). There were flavors common to all dried dairy ingredients while other flavors were specific to particular products.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2003.tb00385.x
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    SENSORY PROPERTIES AND CONSUMER PERCEPTION OF ‘HOME-MADE’AND COMMERCIAL DAIRY ICE CREAM (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Sensory properties and consumer perception of 2 ‘home-made’and 4 commercial dairy ice creams were examined. Conventional profiling by a trained panel found that most samples differed significantly in all attributes, but distinction of ‘home-made’from commercial products was limited to few attributes. Principal component analysis separated the ‘home-made’products from the commercial ones mainly on the basis of differences in appearance, aroma, creamy flavors and textural attributes. A consumer group (n=105) recorded preconception of ‘home-made’ice cream acceptance, then received the product samples, in unlabeled condition, for assessment of degree of liking (DOL) and for identification as ‘home-made’or commercial. Internal preference mapping of the DOL ratings showed that consumers were more closely grouped around samples which had higher intensities of certain attributes. Higher ‘denseness’, ‘vanilla’aroma and ‘buttery’flavor, were associated with more liking for commercial products. The ‘home-made’high fat sample, although liked, tended to be grouped with commercial products. More marked textural attributes of ‘ice crystals’and ‘breakage’aided identification of the low-fat ‘home-made’formulation, which was less liked overall. Overall, differences between the ‘home-made’and commercial samples were small but consumer perception of the term ‘home-made’was viewed favorably for dairy ice cream.
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    URL: http://dx.doi.org/10.1111/j.1745-459X.2003.tb00386.x
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    EFFECT OF HEALTH CONCERN AND CONSUMPTION PATTERNS ON MEASURES OF SWEETNESS BY HEDONIC AND JUST-ABOUT-RIGHT SCALES (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: An established disparity between hedonic scales and just-about-right (JAR) measures, important for product development procedures, was examined for sweetness in lemonade by consumer groups divided on the basis of health concern level and consumption patterns related to sweet foods, regular and diet drinks and ‘healthy eating’. The disparity was demonstrated by all subgroups in that the JAR scale identified a lower sucrose concentration as nearest ‘just right’compared to that identified as ‘most liked’by the hedonic scale. Regression analysis predicted lower optimum sweetness for the JAR than the hedonic scale. For subjects who completed both tests the disparity was significantly different from zero. Trends of differences in response on both scales and for the disparity according to health concern and consumption patterns were demonstrated graphically. Few of these effects were statistically significant, but the differences in disparity level could justify market segmentation of drink products with different sucrose levels.
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    NEXT GENERATION HEALTHY SOUP: AN EXPLORATION USING CONJOINT ANALYSIS (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This paper presents results on consumer attitudes towards healthy soup, using conjoint analysis, executed on the Internet. The results show moderate interest in new ideas for the total panel, but reveal three concept-response segments. The first segment responds to nutrition and functional ingredients. The second segment responds to packaging and convenience. The third segment responds to taste and ingredients. Statistical analysis confirms the idea that they represent different ‘mind-sets’. The segmentation based on psychographic variables is a useful tool to identify the features of the next generation “healthy soups” and to design custom products on the basis of consumer requirements.
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    URL: http://dx.doi.org/10.1111/j.1745-459X.2003.tb00388.x
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    MONITORING TASTE PANEL EFFICIENCY DURING EVALUATION OF THE SENSORY QUALITY OF RONCAL CHEESE (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A statistical study was performed on the scores awarded by a taste panel over a full Roncal cheese manufacturing season. The panel evaluations were part of a quality control program carried out on that cheese under the auspices of the Appellation of Origin for Roncal cheese by panelists previously trained and qualified as proficient. Analysis of variance and factor analysis were performed to examine variability for the different attributes and the influence of such factors as cheesemaking plant and the manufacturing season and also to monitor panel reliability. The results indicated that the attributes associated with the descriptor “characteristic” had the highest variability; these attributes were characteristic odor, characteristic aroma, characteristic texture, characteristic flavor, and characteristic aftertaste. Cheesemaking plant was the factor that had the greatest effect on variability. Factor analysis and exploratory box plot data analysis were used to detect discrepancies between individual assessors and the rest of the panelists.
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    DESCRIPTION OF THE SENSORY CHARACTERISTICS OF SPANISH UNIFLORAL HONEYS BY FREE CHOICE PROFILING (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Different Spanish unifloral honeys (eucalyptus, sunflower, rosemary, thyme, lavender, citrus, anise, quercus, and lemon blossom) and one multifloral honey were studied by Free-Choice Profiling (FCP) analysis. Generalized Procrustes Analysis (GPA) applied to the FCP data allowed discrimination between samples and provided information on the attributes responsible for the differences observed. The honeys had significantly different sensory characteristics. Textural attributes were the predominant factor in discriminating between samples, and appearance (color included) was also correlated with GPA dimensions to a lesser extent.
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    NEW DIRECTIONS - PROCESSING (RESPONSE) TIME AS AN INDICATOR OF COGNITIVE PROCESSES AND ITS POSSIBLE LINK WITH SENSORY ATTRIBUTES (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-459X.2003.tb00381.x
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    CONCEPT-RESPONSE SEGMENTATION FOR GRAPEFRUIT JUICE: WHAT ROLE DO SENSORY STATEMENTS PLAY AS DRIVERS OF PERSUASION AND RESPONSE TIME? (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This paper deals with responses to concept elements for grapefruit juice using hybrid conjoint analysis. Sensory-based concept elements perform as well (and as poorly) as do nonsensory-based concept elements. Concept-response segmentation analysis revealed three distinct groups, oriented to sweet taste, nonsweet taste, and color/appearance, respectively. Response patterns of segments are not polarized. What one segment likes most the other segment may simply accept to a moderate degree. This pattern differs from what typically happens with actual products. The segments differ in the way that they process the information in a concept, based upon response time as a separate dependent measure. Sensory-based concept elements may act as gatekeepers to assure respondents that the product is acceptable, and thus may shorten the search for additional information. In contrast, for products and sensory-preference segmentation, sensory attributes typically act as Drivers of LikingTM, rather than as gatekeepers.
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    URL: http://dx.doi.org/10.1111/j.1745-459X.2003.tb00380.x
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    STRUCTURED AND UNSTRUCTURED 9-POINT HEDONIC SCALES: A CROSS CULTURAL STUDY WITH AMERICAN, JAPANESE AND KOREAN CONSUMERS (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The range of scores elicited by a structured, an unstructured and a ‘labels-only’version of the 9-point hedonic scale were compared using consumers from USA, Japan and Korea. It was found that the unstructured scale elicited a wider range of scores for American and Japanese consumers. After correction for hedonic ranges, it was found that Japanese had smaller ranges of scores on all three scales, although the effect was less pronounced for the unstructured scale. The Korean consumers were the exception. Their ranges were less than Americans but their ranges on the unstructured scale did not increase. The results were discussed in terms of the effects of inhibition of use of categories by the scale labels, effects of translation from the English, psychophysical style and order effects.
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    BOOK REVIEW (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: STANDARDIZED OLFACTORY POWER LAW EXPONENTS. 2000. M. Devos, J. Rouault P.
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    SENSORY EVALUATION OF MANGO DRINKS USING FUZZY LOGIC (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Three brands of ready to serve mango drinks namely ‘Frooti’, ‘Real’and ‘Slice’that are available in the market were used for sensory evaluation along with the vacuum dried reconstituted mango powder drink. Mango powder was produced from mango pulp of ‘Totapuri’variety with addition of Maltodextrin, Glycerol monostearate and Tri calcium phosphate at rate of 0.62, 0.015 and 0.015 kg per kg dry mango solid, respectively. These ingredients were added for getting a nonsticky free flowing powder. The pulp along with the ingredients was dried in a vacuum drier at 70 ± 2C and 710–750 mm Hg vacuum. Fuzzy logic analysis was used for finding out the best of the three market mango drinks. BrimA index (a criterion for acceptance of fruit juice) and total solid (kg per kg drink) of the reconstituted mango drink was adjusted based on the BrimA index and total solid values of the best market drink. The reconstituted mango drink satisfied the quality criteria set for ‘mouth feel’but not the color, smell and taste.
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    DIFFICULTIES AND A WAY OUT: A BAYESIAN APPROACH FOR SENSORY DIFFERENCE AND PREFERENCE TESTS (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: There are some theoretical difficulties in the philosophy and methodology of sensory difference and preference tests. The difficulties lie in the assumption that the subjects have the same response ability, which is in conflict with psychological ideas about the processes of perception and decision. A Bayesian approach may overcome these difficulties by treating the parameter of proportion as a random variable. This paper presents a Bayesian approach for analysis of data from such sensory tests.
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    DRINKING HOT COFFEE: WHY DOESN'T IT BURN THE MOUTH? (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Coffee served at temperatures recommended by the hospitality and food literatures for brewing and holding are above thermal pain and damage thresholds. Yet, consumers do not report pain or damage on drinking coffee at such temperatures. To investigate this discrepancy, the temperature of hot coffee before and during sipping was investigated for 18 subjects. Coffee temperature was continuously monitored by thermocouples in the cup, in the coffee bolus in the oral cavity and on the surface of the tongue. There was minimal cooling as the coffee entered the mouth from the cup, yet the coffee temperature was still above threshold for inducing burn damage. It is hypothesized that during drinking, the bolus of hot coffee is not held in the mouth long enough to heat the epithelial surfaces sufficiently to cause pain or tissue damage.
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    USE OF SENSORY EVALUATION FOR MEASURING DEODORIZING EFFECTS OF AN AIR CONDITIONER (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The application of sensory methodology for measuring deodorizing effect of an air conditioner equipped with electric plasma was introduced. Deodorizing effect was measured using chemical and sensory methods at different time (0, 30 and 60 min) and mode (control, blowing and cooling) of an air conditioner. Smoke from a roll of cigarette in a closed room was used as a source of odor and the concentrations of acetic acid and ammonia were measured as odorous chemical components. As one of the sensory methods triangle test was used and as a first step to obtain deodorizing effects by triangle test, the threshold of each panelist was obtained as the log dilution ratio of odor concentration at which the difference from odorless air was detected. The odor concentration at each time and mode was calculated using the threshold of the panel and the deodorizing effect was obtained on the basis of the odor concentration. In addition to a triangle test, scaling methods such as category scaling or magnitude estimation were used to measure deodorizing effect of an air conditioner. Deodorizing effects by scaling methods were calculated based on odor intensity with time at each mode. The regression analysis was done between the efficacy of deodorizing effect by sensory test and those by acetic acid and ammonia, the R2 values of the regression equations for triangle test, category scale, and magnitude estimation were 0.84, 0.72 and 0.69, respectively. Deodorizing effect by triangle test explained the decrease of acetic acid and ammonia better than those by category scaling or magnitude estimation while high cost and time consuming labor involved in triangle tests reduced the merit. The results of this study demonstrated that various sensory methods could be used to measure deodorizing effect of air conditioners and further researches on fast and reliable methods are needed to establish the official procedures.
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    FOCUS GROUP RESEARCH ON SENSORY LANGUAGE USED BY CONSUMERS TO DESCRIBE MAYONNAISE (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A focus group study was performed to investigate the sensory vocabulary used by consumers of this product, together with general habits of its consumption. A total of 59 housewives distributed among six groups from three different cities in Argentina participated in the study. Differences in the groups across cities were small. Four groups would have been sufficient to generate the information and four was an adequate number of samples to aid in descriptor usage. The total number of descriptors used by the 6 groups were: appearance 65, color 39, aroma 44, flavor 50 and texture 70. A list of the most frequently mentioned positive and negative descriptors is presented. There were contradictions between the recall of reasons for consuming a sample and the sensory description of the same sample. The focus group method allowed obtaining the general profile of an ideal mayonnaise: pale yellow, shiny, with a mild flavor of lemon and egg, creamy in texture and easy to spread.
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    AGREEMENT AND RELIABILITY ASSESSMENTS FOR PERFORMANCE OF SENSORY DESCRIPTIVE PANEL (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In the present paper, two indices, agreement coefficient and reliability coefficient, are introduced and proposed to measure quality of ratings data given by a sensory descriptive panel. Agreement coefficient describes variation of ratings for a single target (product), whereas reliability coefficient reflects discrimination ability of a descriptive panel for a sample of products. The two indices, which profoundly describe inherent characteristics of ratings data, are based on classical reliability theory and recent advances in psychological measurement. In the paper, estimates and tests for the two indices are provided. Confidence intervals for the indices are derived. A space with the two indices as dimensions, which is referred as rating quality space, gives visual presentation of performances of a descriptive panel or individual panelists. Numerical examples illustrate the use and interpretation of the indices.
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    USING ANDERSON'S STATISTIC TO COMPARE DISTRIBUTIONS OF CONSUMER PREFERENCE RANKINGS (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Anderson's statistic, which compares distributions of ranks, is generalized to cope with tied rankings. A simple example is given to illustrate the calculations involved. In market research work it is often important to compare distributions as well as mean values. Comparison of distributions can indicate either market segmentation or product variability.
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    BOOK REVIEW (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: FOOD TEXTURE AND VISCOSITY, CONCEPT AND MEASUREMENT by Malcolm Bourne.
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    CULTURAL DIFFERENCES IN DEGREE OF LIKING OF ASIAN WHITE RADISH (RAPHANUS SATIVUS L.) (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Asian white radish processed foods are commonly consumed in Japan and Korea and are increasingly available in many Western countries. The major flavor constituent of Asian white radish, 4-methylthio-3-trans-butenyl isothiocyanate (MTBITC), was extracted as an oil and added in varying concentrations to an unflavored cracker biscuit. Untrained taste panels of Japanese, Korean and Australian nationals were presented with treated biscuits and their concentration preference for MTBITC determined. The taste preferences (degree of liking) of the Japanese and Koreans differed markedly with the Japanese preferring biscuits containing 110 μmole MTBITC/100 g while the Koreans preferred 〈 50 μmole/100 g (the lowest concentration tested). The difference is attributed to the Korean use of Asian white radish in highly spiced foods compared to the Japanese use without the addition of strongly flavored ingredients. The Australians also preferred 〈50 μmole/100 g but this was probably due to unfamiliarity with eating white radish.
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    COMPARISON OF SENSORY PROFILES DONE BY TRAINED AND UNTRAINED JURIES: METHODOLOGY AND RESULTS (2003)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of sensory studies 18 (2003), S. 0 
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    ISSN: 1745-459X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: We compare the sensory profiles of six dark chocolates done by two types of juries: some trained juries and an untrained jury. Six laboratories, each one made up of 10 to 15 judges, are regarded as trained juries since the assessors were well trained before the evaluation of the products. The second type of jury is composed of only one panel of 29 untrained assessors and this jury is named the untrained jury. Fourteen attributes were evaluated and analyses of variance have been carried out by attribute to compare the sensory profiles of the six chocolates done by the trained juries and by the untrained jury. These analyses of variance show that the two types of juries give similar sensory profiles and that the few differences are mainly due to different ways of using the scale.
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    URL: http://dx.doi.org/10.1111/j.1745-459X.2003.tb00400.x
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    Nonlinear optical properties of oligothiophene self-assembled monolayers on gold substrate (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 4016-4021 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Liner and nonlinear-optical properties of oligothiophenes self-assembled monolayers (SAM) are studied by optical second harmonic interference technique. Linear polarizability and first hyperpolarizability as functions of the number of thiophene rings are calculated using a self-consistent approach for linear and nonlinear optical properties. Both of these dependencies can be described by a power law; a nonzero first hyperpolarizability points to the asymmetry of delocalized electron system that might be due to an adsorption of thiophene molecules on a metal substrate. The influence of a dipole–dipole interaction of molecules arranged in the SAM is discussed. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1494420
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    Studies of polymer conformation and dynamics in two dimensions using simulations based on the Dynamic Lattice Liquid (DLL) model (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 4022-4029 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The Dynamic Lattice Liquid (DLL) model has been implemented as a simulation algorithm for two-dimensional (2-D) polymeric systems. The model can work with density factor ρ=1 and became a basis for a parallel algorithm, which takes into account coincidences of elementary molecular motion attempts resulting in local cooperative structural transformations. Systematic studies of athermal polymer systems on the two-dimensional triangular lattice are presented for various concentrations of linear polymers with respect to an explicitly considered solvent. Both static and dynamic properties are characterized. The simulation results reflect molecular packing and other properties of monomolecular polymer layers, which can be relevant to these obtained in some thin film formation techniques. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1495836
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    Dynamics of star-burst dendrimers in solution in relation to their structural properties (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 4047-4062 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have measured both the static and dynamic structure factors of a single dendrimer with small-angle x-ray scattering (SAXS) and neutron spin-echo spectroscopy under good solvent conditions with the aim of finding a consistent correlation between the structural properties of dendrimers and their dynamic behavior. The samples under investigation were star-burst polyamidoamine dendrimers with generations g=0 to 8 in dilute methanol solutions. A model independent approach employing inverse Fourier transformation and square root deconvolution methods has been used to analyze the SAXS data to obtain the pair distance distribution function p(r) and the radial excess electron density profile Δρ(r). In addition, we formulated a model that takes both the colloidal (globular, compact shape with form polydispersity or fuzzy surface) as well as the loose, polymeric (self-avoiding random walk) character of dendrimers into account. With this model we were able to describe the spectra of all dendrimer generations consistently. Parameters discussed as a function of the dendrimer generation are, among others, the correlation length of the density fluctuations (blob radius) ξ, the radius of gyration Rg, the sphere radius Rs, the form polydispersity σs or analogously, the width of the fuzzy surface region 2σf. Both the model-independent approach and the model fits reveal that at least down to the third generation the dendrimers exhibit a rather compact, globular shape. These findings are in agreement with the dynamic results obtained by NSE spectroscopy which probes length scales both larger and much smaller than the dimension of a single dendrimer. The method reveals that the dynamics throughout is dominated by the center-of-mass diffusion—the internal dynamics is suppressed. The diffusion coefficients obtained are close to the values calculated from the Stokes–Einstein relation using the sphere radius Rs determined from the SAXS spectra. Dynamically, the dendrimers behave like "hard", solid spheres. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1493771
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    On the photoelectron spectrum of AgO− (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 4074-4076 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The 364 nm negative ion photoelectron spectrum of AgO− is reported. Transitions to the A 2Σ+ state and the X 2Π1/2 and X 2Π3/2 spin–orbit states of AgO are observed. The electronic ground state of AgO− is found to have a vibrational frequency of 497 (20) cm−1 and an equilibrium bond length of 1.935 (15) Å. The electron affinity of AgO is found to be 1.654 (2) eV. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1494979
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    Comment on "The effect of the charge density of microemulsion droplets on the bending elasticity of their amphiphilic film" [J. Chem. Phys. 114, 10105 (2001)] (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 4077-4078 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: It is shown that the work by Farago and Gradzielski [J. Chem. Phys. 114, 10105 (2001)] is based on incorrect expressions for the scattering functions, contains a number of other serious defects, and should be revised. © 2002 American Institute of Physics.
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    Calculation of the intermolecular energy of large molecules by a fragmentation scheme: Application to the 4-n-pentyl-4′- cyanobiphenyl (5CB) dimer (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 3003-3012 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present a method for computing intermolecular energies of large molecules based on a suitable fragmentation scheme, which allows one to express the complete interaction energy as a sum of interaction energies between pairs of fragments. The main advantage consists in the possibility of using standard ab initio quantum methods to evaluate the fragment energies. For the 4-n-pentyl-4′-cyanobiphenyl (5CB) dimer, the present results indicate that the most favorite arrangement corresponds to an antiparallel side-by-side geometry with a stabilization energy of about 16 kcal/mol. It is shown that, by the present method, the interaction energy of the 5CB dimer can be evaluated for all geometrical conformations and, in principle, it can be used for bulk simulations. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1494799
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    Classical mapping for second-order quantized Hamiltonian dynamics (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2995-3002 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Second-order quantized Hamiltonian dynamics (QHD-2) is mapped onto classical mechanics by doubling the dimensionality. The mapping establishes the classical canonical structure for QHD-2 and permits its application to problems showing zero-point energy and tunneling via a standard molecular dynamics simulation, without modifying the simulation algorithms, by introducing new potentials for the extra variables. The mapping is applied to the family of Gaussian approximations, including frozen and thawed Gaussians, which are special cases of QHD-2. The mapping simplifies numerous applications of Gaussians to simulations of spectral intensities and line shapes, nonadiabatic and other quantum phenomena. The analysis shows that frozen Gaussians conserve the total energy, while thawed Gaussians do not, unless an additional term is introduced to the equation of motion for the thawed Gaussian momentum. The classical mapping of QHD-2 is illustrated by tunneling and zero-point energy effects in the harmonic oscillator, cubic and double-well potential, and the Morse oscillator representing the O–H stretch of the SPC-F water model. © 2002 American Institute of Physics.
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    Coating and polymerization of C60 with carbon: A gas phase photodissociation study (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 3088-3097 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: (C60)nCq+ cationic clusters are produced in a laser vaporization source by quenching the vapors from C60 and graphite targets. They are analyzed in the gas phase by abundance and photofragmentation time-of-flight mass spectroscopy. Among the large number of expected isomers, the present experiments give evidence for the stability of special arrangements that may result from the attachment of preformed carbon rings to the fullerene cage. The particular case of C10 will be discussed, considering the results obtained on complexes with one, two or even three C60 molecules. This study reveals that the incorporation of large molecules into carbon cages could be an essential mechanism during the growth process of larger fullerenes and that the polymerization of C60 molecules is promoted by carbon links involving a single atom or a dimer. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1494780
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    High-accuracy coupled-cluster computations of bond dissociation energies in SH, H2S, and H2O (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 3132-3138 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The first and second bond dissociation enthalpies of H2S have been investigated at up to the CCSD(T)/aug-ccpV6Z level of theory. Corrections for core/valence electron correlation, anharmonic zero point vibrational energy and relativistic effects were followed by extrapolation to the complete basis set limit. Analysis of direct dissociation yields D0(S–H)=349.9 and D0(HS–H)=375.8 kJ mol−1. Together these imply an atomization enthalpy for H2S about 1 kJ mol−1 larger than literature evaluations. Consideration of exchange of a second H atom from OH to SH yields D0(HS–H)=376.2 kJ mol−1. The two computations of D0(HS–H) lie within 0.5 kJ mol−1 of a recent spectroscopic measurement of D0(HS–H)=376.24±0.05 kJ mol−1 [R. C. Shiell, X. K. Hu, Q. J. Hu, and J. W. Hepburn, J. Phys. Chem. A 104, 4339 (2000)]. The deuterated analogs SD and D2S are also considered. There is also accord to within 1.5 kJ mol−1 with D0(S–H)=348.4±0.8 kJ mol−1, which we derive from the experimental literature. We propose revised enthalpies of formation, ΔfH0(2Π3/2SH)=142.6±0.8 kJ mol−1 and ΔfH298.15(SH)=143.1±0.8 kJ mol−1. The results suggest the dominant uncertainties in these high-level calculations come from the basis set extrapolation and scalar relativistic terms, and that both contribute about 1 kJ mol−1 uncertainty. We also obtain D0(H–OH)=492.6 kJ mol−1, which compares well with recent experiments. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1493175
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    Intermolecular vibrations of large ammonia clusters from helium atom scattering (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 3149-3159 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The excitation of the low-energy intermolecular modes of ammonia clusters by helium atom scattering has been calculated using classical trajectories. The energy transfer is investigated as a function of scattering angle (from 10° to 90°), collision energy (94.8 and 50.5 meV), cluster size (n=18, 100, 1000), and cluster temperature (Tc=1 K, 30–50 K, and 105 K). It is observed that predominantly the mode at 7 meV and to a lesser extent also the one at 12 meV are excited. These are surface modes that mainly originate from the angular motion of three adjacent N atoms. The excitation is nearly independent of the cluster size and the probability for multiphonon excitation steadily increases with increasing deflection angle. This trend is even strengthened by increasing the collision energy. The role of the cluster temperature is to broaden the energy transfer distribution with increasing values. The calculations are compared with previous and new measurements presented here of the double-differential cross sections (dσ/dω)ΔE of ammonia clusters of average size 〈n〉=92 at two collision energies and 〈n〉=1040 at one energy. While the general trends in the angular and energy dependence could be well reproduced, the correct cluster temperature was crucial in getting good agreement at the lower collision energy for n=100. At the higher collision energy, the large energy transfer is not reproduced, probably a shortcoming of the potential models to account correctly for the anharmonicity of the strong multiquantum excitations. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1494778
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    Temperature- and species-dependent quenching of CO B probed by two-photon laser-induced fluorescence using a picosecond laser (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 3173-3179 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report measurements of the temperature- and species-dependent cross sections for the quenching of fluorescence from the B 1Σ+(v=0) state of CO. Cross sections were measured for gas temperatures ranging from 293 K to 1031 K for quenching by H2, N2, O2, CO, H2O, CO2, CH4, He, Ne, Ar, Kr, and Xe. The CO B 1Σ+(v=0) state was populated via two-photon excitation (B 1Σ+←←X 1Σ+), and the B 1Σ+→A 1Π fluorescence was collected. Quenching cross sections were determined from the dependence of the fluorescence-decay rate on quencher-gas pressure. The temperature dependence of the cross sections is well described by a power law for all but the two weakest quenchers, He and Ne. © 2002 American Institute of Physics.
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    Spectral difference methods for solving the differential equations of chemical physics (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2455-2468 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Spectral differences [D. A. Mazziotti, Chem. Phys. Lett. 299, 473 (1999)] is a family of techniques for solving differential equations in which the summation in the numerical derivative is accelerated to produce a matrix representation that is not only exponentially convergent like the discrete variable representation (DVR) and other spectral methods but also sparse like traditional finite differences and finite elements. Building upon important work by Boyd [Comput. Methods Appl. Mech. Eng. 116, 1 (1994)] and Gray and Goldfield [J. Chem. Phys. 115, 8331 (2001)], we explore a new class of spectral difference methods which yields solutions that are more accurate than high-order finite differences by several orders of magnitude. With the generating weight for Gegenbauer polynomials we design a new spectral difference method where the limits of an adjustable parameter α generate both finite differences (α=∞), emphasizing the low Fourier frequencies, and a truncated sinc-DVR (α=0), emphasizing all Fourier frequencies below the aliasing limit of the grid. A range of choices for α∈[0,∞] produces solutions which are significantly better than the equivalent order of finite differences. We compare the Gegenbauer-weighted spectral differences with methods by Boyd as well as Gray and Goldfield which employ a hyperbolic secant and a step function as frequency weights, respectively. The solutions from the Gegenbauer- and the sech-weighted differences are shown to be less sensitive to parameter selection than the step-weighted differences. We illustrate all of the spectral difference methods through vibrational and quantum control calculations with diatomic iodine and the van der Waals cluster NeCO. Spectral differences also have important applications in molecular dynamics and electronic structure as well as other areas of science and engineering. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1490344
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    Electrostatics in periodic slab geometries. I (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2496-2502 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We propose a new method to sum up electrostatic interactions in two-dimensional (2D) slab geometries. It consists of a combination of two recently proposed methods: the 3D Ewald variant of Yeh and Berkowitz [J. Chem. Phys. 111, 3155 (1999)] and the purely 2D method MMM2D by Arnold and Holm [Chem. Phys. Lett. 354, 324 (2002). The basic idea involves two steps: First we use a three-dimensional summation method whose summation order is changed to sum up the interactions in a slab-wise fashion. Second we subtract the unwanted interactions with the replicated layers analytically. The resulting method has full control over the introduced errors. The time to evaluate the layer correction term scales linearly with the number of charges, so that the full method scales like an ordinary 3D Ewald method, with an almost linear scaling in a mesh based implementation. In this paper we will introduce the basic ideas, derive the layer correction term, and numerically verify our analytical results. © 2002 American Institute of Physics.
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    State-to-state rate constants for the rotational relaxation of NH(A 3Π,v=0) radicals in inelastic collisions with NH3 (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2518-2522 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A state-resolved experimental investigation of the rotational relaxation of the NH(A 3Π,v=0) radical in inelastic collisions with ammonia is presented. Fine structure and Λ-doublet resolved, state-to-state rate constants were extracted from NH(A 3Π,v=0→X 3Σ−,v=0) fluorescence spectra recorded upon laser excitation to individual levels (N,Fj,e/f ) (j=1–3) in the A 3Π,v=0 state. Relaxation trends are reported with regard to Hund's coupling (a), (b), and intermediate cases. At low N, the most dominant process is the Λ-doublet mixing. For high N, rotational relaxation proceeds predominantly via ΔN=−1 transitions at conservation of the spin unit and the A′/A″ symmetry. A general tendency of conservation of the spin unit (ΔΩ=0) is observed. A comparison of the dipolar collision partner NH3 with the spherical He is performed. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1493197
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    Discovery of long-lived excited electronic states of chlorobenzene, bromobenzene, benzonitrile, and phenyl acetylene cations (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2538-2545 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Previously developed technique of charge exchange ionization in a collision cell outside the ion source, which detects ions originating from the collision gas in the cell, was used to find long-lived excited electronic states of monosubstituted benzene cations. The technique is based on the criterion that charge exchange between polyatomic species is efficient only when the energy of reaction is close to zero or negative (ΔE≤0), or the exoergicity rule. The B˜ 2B2 states of chlorobenzene, bromobenzene, benzonitrile, and phenyl acetylene cations were found to have long lifetimes (10 microseconds or longer) while excited electronic states with long lifetime were not detected for fluorobenzene, iodobenzene, toluene, nitrobenzene, and styrene cations. The long-lived states found were those displaying well-resolved vibrational structures in the photoelectron spectra. In particular, these were the states generated by removal of an electron from the in-plane nonbonding p orbitals of halogens or in-plane π orbitals of the triple bonds. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1491412
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    Infrared spectra of N2O–4He, N2O–3He, and OCS–3He complexes (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2586-2591 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Infrared spectra of the weakly bound complexes N2O–4He, N2O–3He, and OCS–3He have been observed using a tunable diode laser to probe a pulsed supersonic jet expansion. The rotational structure of the bands was analyzed using a conventional asymmetric rotor Hamiltonian. The N2O–3He and OCS–3He spectra are mostly a type (ΔKa=0) in structure, with very weak b-type (ΔKa=±1) transitions, but for N2O–4He the a- and b-type components are both prominent. The fitted rotational parameters are consistent with roughly T-shaped structures with intermolecular separations around 3.4–3.5 Å for N2O–He and 3.8–3.9 Å for OCS–He. The angle between the N2O or OCS axis and the He position is about 80° for N2O–He and 65° for OCS–He. The vibrational band origins are slightly blueshifted from those of the free molecule, with the N2O–He shifts (+0.2 cm−1) being about twice the magnitude of the OCS–He shifts (+0.1 cm−1). The results are of particular interest since N2O and (especially) OCS have both been used as probes in experiments on ultracold helium nanodroplets. © 2002 American Institute of Physics.
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    Time correlation function approach to liquid phase vibrational energy relaxation: Dihalogen solutes in rare gas solvents (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2672-2687 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A molecular theory of liquid phase vibrational energy relaxation (VER) [S. A. Adelman et al., Adv. Chem. Phys. 84, 73 (1993)] is applied to study the temperature T and density ρ dependencies of the VER rate constant k(T,ρ)=T1−1, where T1 is the energy relaxation time, of model Lennard-Jones systems that roughly simulate solutions of high-mass, low-frequency dihalogen solutes in rare gas solvents; specifically the I2/Xe, I2/Ar, and ICI/Xe solutions. For selected states of these systems, the theory's assumptions are tested against molecular dynamics (MD) results. The theory is based on the expression T1=β−1(ωl), where ωl and β(ω) are, respectively, the solute's liquid phase vibrational frequency and vibrational coordinate friction kernel. The friction kernel is evaluated as a cosine transform of the fluctuating force autocorrelation function of the solute vibrational coordinate, conditional that this coordinate is fixed at equilibrium. Additionally, the early-time decay of the force autocorrelation function is approximated by a Gaussian function which is exact to order t2. This Gaussian approximation permits evaluation of T1 in terms of integrals over equilibrium solute–solvent pair correlation functions. The pair correlation function formulas yield T1's in semiquantitative agreement with those found by MD evaluations of the Gaussian approximation, but with three orders of magnitude less computational effort. For the isothermal ρ dependencies of k(T,ρ), the theory predicts for all systems that the Gaussian decay time τ is nearly independent of ρ. This in turn implies that k(T,ρ) factorizes into a liquid phase structural contribution and a gas phase dynamical contribution, yielding a first-principles form for k(T,ρ) similar to that postulated by the isolated binary collision model. Also, the theory predicts both "classical" superlinear rate isotherms, and "nonclassical" sublinear isotherms similar to those recently observed by Troe and co-workers for azulene relaxation in supercritical fluids. The isochoric T dependencies of k(T,ρ) are studied in the range 300 to 1000 K. For none of the solutions are the rate isochores found to accurately conform to either Arrhenius or Landau–Teller kinetics. © 2002 American Institute of Physics.
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    Band structure, Born effective charges, and lattice dynamics of CuInS2 from ab initio calculations (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2726-2731 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The first principles plane-wave pseudopotential calculations based on density functional theory were used to determine structural and electronic properties of CuInS2 semiconducting chalcopyrite. The Born effective charges were obtained using Berry phase method. Phonon dispersion relations were evaluated from Hellmann–Feynman forces with the direct method. The elastic constants were derived from the stress–strain relationships. The calculated quantities agree well with available experimental data. © 2002 American Institute of Physics.
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    The ionization energy of methylene (CH2) from a rotationally resolved photoelectron spectrum and its thermochemical implications (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 1939-1940 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The adiabatic ionization potential of methylene has been determined to be 83772±3 cm−1 from a rotationally resolved photoelectron spectroscopic study of the CH2+ X˜ 2A1 (0,0,0)←CH2 X˜ 3B1(0,0,0) transition. This value was used to determine thermochemical quantities such as the 0 K dissociation energy of the ketene cation in CO and CH2+ D0(CH2(Double Bond)CO+)=33202±7 cm−1, the 0 K dissociation energy of the methyl radical D0(CH2–H)=38179±49 cm−1, the 0 K dissociation threshold of methane in CH2 and H2 D0(CH2–H2)=38232±50 cm−1 and the 0 K enthalpy of formation of CH2 ΔfH(minus sign in circle)(CH2,T=0 K)=390.73±0.66 kJ mol−1. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1496468
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    An accurate semiclassical method to predict ground-state tunneling splittings (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 1967-1974 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new method for calculating the ground-state tunneling splitting is presented. It is based on the semiclassical theory including recently derived corrections and it is the first method, which explicitly takes into account the whole conformational space between the minima and the transition state. The density-functional theory is used to determine the qualitative shape of the potential energy surface (PES) and high level ab initio calculations provide information about the stationary points. With a dual level scheme, the low-level energy surface is mapped onto the high-level points to get a good quantitative description of the high-level PES. Therefore, the new method requires no adjustment of additional parameters like scaling of the energy barrier as is necessary in other methods. Once the high-level PES is calculated, the most probable tunneling paths are determined with a global optimization procedure. Along this representative tunneling path, the tunneling splitting is calculated with additional consideration of zero-point vibrational effects. The method is applied to three molecular systems, namely hydrofluoric acid dimer, malonaldehyde, and tropolone. These systems were chosen because their energy barriers differ strongly (1 kcal/mol–7 kcal/mol). The predicted tunneling splittings agree very well with the experimental ones, therefore, we expect our method to be generally applicable, independent of the magnitude of the energy barrier. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1488925
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    Water hexamer clusters: Structures, energies, and predicted mid-infrared spectra (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2003-2016 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present an ab initio theoretical study of five low-energy isomers of the water hexamer {Chair, Cage(du)[1], Book, Prism, and Boat}, their intramolecular vibrations, binding energies De and dissociation energies D0. Møller–Plesset second order perturbation calculations using the aug-cc-pVTZ basis set at aug-cc-pVDZ optimized geometries including vibrational zero point energy corrections predict Chair to be the most stable isomer, followed closely by Cage(du)[1] (+0.02 kcal/mol) and Book (+0.05 kcal/mol), while Prism is 0.15 kcal/mol higher. The Boat conformer is least stable at both the De and D0 levels. The main focus is on the intramolecular normal modes of the five isomers. The calculated O–H stretching frequencies and intensities are compared to recent infrared spectra of water hexamer in supersonic jets, liquid-helium droplets and solid para-hydrogen matrices. The IR spectra indicate that Book and Chair are major species in the latter two environments and may also exist in supersonic jets. The (H2O)6 gas phase interconversion equilibria are calculated and predict that the most abundant isomer is Chair below 8 K, Cage between 8–26 K, and Book above 26 K. Several of the low-frequency vibrational modes are identified as low-amplitude precursors of the Chair↔Book↔Cage isomerization pathways. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1487371
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    Excited and ionized states of aniline: Symmetry adapted cluster configuration interaction theoretical study (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2045-2052 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Singlet excited states and ionized states of aniline are studied by the symmetry adapted cluster/configuration interaction method. Absorption bands of states that have mainly π–π* nature are assigned as 1A″ (∼1B2), 1A′ (∼1A1), 1A″ (∼1B2), 1A′ (∼1A1), 1A″ (∼1B2) in increasing-energy order. An s-Rydberg state is predicted to lie between the first and second valence states, in agreement with recent experimental results. The lowest band has a charge-resonance character with a slight charge-transfer (CT) character (CT is defined as NH2→C6H5); third and fifth valence bands have back-CT (BCT) nature, and second and fourth are local excitations within the benzene ring. The extent of CT of excited states depends on amino group conformation. In the planar form, CT characters of several states were altered; however, spectral shapes are very similar to that of the equilibrium form. On the other hand, amino group twisting altered both the spectrum and nature of excited states. Third and fourth lowest valence states exhibited strong CT character, while fifth to eighth states are of the strong BCT type, implying that the CT nature of excited states of aniline can be changed by amino group twisting. For ionized states, the lowest three states are assigned to 2A′ (∼2B1), 2A″ (∼2A2), 2A′ (∼2B1) in increasing-energy order, all being π-ionizations. The sixth one is also due to π-ionization (∼2B1) and the others are σ-ionizations. Ordering was the same as Koopmans' case. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1487827
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    Laser induced reactions in a 22-pole ion trap: C2H2++hν3+H2→C2H3++H (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2068-2075 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A sensitive experimental method for ion spectroscopy and state specific reaction dynamics is described, briefly called laser induced reactions (LIR). The technique is based on (i) trapping ions over a long time in a cold 22-pole rf ion trap followed by mass spectrometric detection, (ii) providing a suitable low density gas environment for collisions, (iii) modifying the low temperature chemical kinetics using selective excitation via a tunable radiation source. In this paper, the H-atom transfer reaction C2H2+ (v3=1,J)+H2→C2H3++H, is used to monitor the infrared excitation of acetylene ions. Rotationally resolved spectra are presented for the antisymmetric C–H stretching vibration. For recording a spectrum, it is sufficient to fill the trap with a few thousand parent ions. Differences with respect to conventional IR spectroscopy are discussed, especially the processes which influence the LIR signal. From the measured intensities and their dependence on parameters such as storage time, laser fluence and target gas density, information on state specific rate coefficients has been obtained at an ambient temperature of 90 K. Based on a model simulating the kinetics, rate coefficients for various inelastic and reactive collisions are derived. Vibrational excitation of C2H2+ (v3=1,J) increases the rate of the title reaction by more than three orders of magnitude, while rotation hinders the reaction. The fine-structure state of the parent ion does not affect its reactivity. Ways are pointed out to apply the method to various classes of molecular ions. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1487373
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    Hyperfine coupling constants and electron-spin g-factors of B2+, Al2+, Ga2+, BAl+, BGa+, and AlGa+: An ab initio study (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2103-2111 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The hyperfine coupling constants (hfcc) and electron-spin g-factors (magnetic moments) calculated for B2+, Al2+, Ga2+, BAl+, BGa+, and AlGa+ are reported. The hfcc's are obtained with single-reference configuration interaction, second-order Møller–Plesset, density functional (B3LYP, PW91PW91) methods, and 6-311+G(2df ) basis sets. The 2σg/3σ SOMOs of X 2Σg+(1σg21σu22σg)/X 2Σ+(1σ22σ23σ) mainly have a pσ–pσ composition, leading in most cases to similar values of Adip and Aiso. As a result, |A(parallel)| is up two orders of magnitude larger than |A⊥|. The A⊥'s are slightly negative (ca. −10 MHz) for Al2+, Ga2+, and AlGa+. The g-shifts (Δg=g−ge) are evaluated with multireference CI wave functions, perturbation expansions up to second-order, and 6-311+G(2d) basis sets. Both Δg(parallel) and Δg⊥ are negative, but Δg(parallel) lies close to zero. The Δg⊥'s of B2+, Al2+, Ga2+ are about −1 300, −12 800, −97 300 ppm, respectively, while for BGa+, BAl+, AlGa+, they are much smaller (−800, −2 800, −47 400 ppm). The reduced Δg⊥'s for XY+ result from the mutual cancellation between a positive contribution from the 1 2Π(3σ→1π) state but a negative one from 2 2Π(3σ→2π). The positive contribution is at variance with the rule-of-thumb stating that SOMO→virtual MO excitations should contribute negatively. The variation of the hfcc's with bond distance is analyzed for all systems, and that of the Δg⊥ component for B2+ and BAl+. Experimental or previous theoretical electron-spin resonance data are not available for comparison. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1487828
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    Electron spin-polarized alkaline-earth ions produced by multiphoton ionization (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2112-2119 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We propose two realistic schemes for producing electron spin-polarized alkaline-earth ions. One of the schemes is based on one-photon resonant two-photon ionization via fine structure manifolds of triplet states, while the other is based on one-photon resonant one-photon ionization. For both schemes we find that the ionization must take place from a triplet state to produce spin-polarized photoions. Photoions produced from a singlet state are always unpolarized regardless of the laser polarization and a magnetic sublevel from which ionization takes place. We carry out specific analysis for both schemes with Sr atoms, and find 85%–90% and 66% polarizations for the former and the latter schemes, respectively, if the wavelengths and polarizations of lasers are judiciously chosen. In particular, if all the produced photoions are in the ground s state, we find an exact one-to-one correspondence between the spin-polarization of photoions and ejected photoelectrons. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1490598
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    What can be learned from the schematic mode-coupling approach to experimental data? (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2161-2171 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We propose a detailed investigation of the schematic mode-coupling approach to experimental data, a method based on the use of simple mode-coupling equations to analyze the dynamics of supercooled liquids. Our aim here is to clarify different aspects of this approach that appeared so far uncontrolled or arbitrary, and to validate the results obtained from previous works. Analyzing the theoretical foundations of the approach, we first identify the parameters of the theory playing a key role and obtain simple requirements to be met by a schematic model for its use in this context. Then we compare the results obtained from the schematic analysis of a given set of experimental data with a variety of models and show that they are all perfectly consistent. A number of potential biases in the method are identified and ruled out by the choice of appropriate models. Finally, reference spectra computed from the mode-coupling theory for a model simple liquid are analyzed along the same lines as experimental data, allowing us to show that, despite the strong simplification in the description of the dynamics it involves, the method is free from spurious artifacts and provides accurate estimates of important parameters of the theory. The only exception is the exponent parameter, the evaluation of which is hindered, as for other methods, by corrections to the asymptotic laws of the theory present when the dynamics is known only in a limited time or frequency range. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1489895
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    Interaction-site model description of the reorientational relaxation of molecular liquids: Incorporation of the interaxial coupling into the site–site generalized Langevin/mode-coupling theory (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2216-2224 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The reorientational relaxation of nonlinear molecules in liquids is treated using the site–site generalized Langevin/mode-coupling theory. We found an inconsistency between the rank-1 reorientational correlation functions of different vectors on a molecule when the molecule is nearly planar. We show that it is because the coupling between the torque and the acceleration of different rotational modes is missing in the theory. A modification of the theory is proposed to incorporate this coupling, and the inconsistency between the reorientational correlation functions is remedied by the modification. We also apply the modified theory to the reorientational motion of water. The rotational part of the memory function becomes greater compared with the conventional theory, and it approaches to that from the molecular dynamics simulation. The charge-current spectrum of water is also shown to be improved by the modification. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1488586
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    Kinetics of fluorescence quenching of S2-thioketones studied by the Smoluchowski–Collins–Kimball model: Standard systems (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2246-2254 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The fluorescence quenching of S2-xanthione and S2-deuterated xanthione by 3,3-diethylpentane, cyclohexane, and deuterated cyclohexane in perfluoro-1,3-dimethylcyclohexane has been studied by means of a picosecond time–resolved, single–photon counting technique. The donor fluorescence decay in the presence of the quencher for six analyzed systems could satisfactorily be fit using the Smoluchowski–Collins–Kimball function. The molecular parameters: R (the sum of the molecular radii), D (the sum of diffusion coefficients), and the specific rate constant of the process (κ) for all electronically excited donor–quencher pairs have been determined. The values of molecular parameter D, obtained from fluorescence quenching studies, are significantly lower than the sum of the macroscopic measured diffusion coefficients values. These results points to substantial differences in the rate of translational diffusion established in the molecular and macroscopic scale. The systems studied are proposed as model systems for further study of the time-dependent fluorescence quenching processes. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1488921
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    Solvation dynamics following electron photodetachment from I− in aqueous clusters (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2238-2245 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Equilibrium and dynamical aspects of the earliest stages of solvation following the electronic excitation of I− dissolved in aqueous clusters were investigated, using a mixed quantum-classical molecular dynamics algorithm. The systems were modeled as composed by an excess quantum charge coupled to a classical bath that includes a neutral iodine and Nw=6, 50, and 100 water molecules. In small clusters, the equilibrium solvation structures of the iodine are characterized by surface states that gradually turn into interior states as one considers larger aggregates. Electronic properties of the ground and first excited states are described. In small aggregates, both states are characterized by highly diffuse density profiles that extend well beyond the spatial extent of the aggregates. In larger clusters, the confining potential provided by the classical bath localizes the electron within the aggregates. Dynamical aspects of the solvation relaxation following a vertical excitation of the solute were also examined. In all cases, the relaxation mechanisms involve a global reorganization of the original solvation structure characterized by a gradual stabilization of the solvent-solvent interactions in detriment of a less favorable electron solvation. The overall characteristic time for the solvation is in the order of τs(approximate)0.05 ps for Nw=6 and attains τs(approximate)0.60 ps for Nw=100. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1489896
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    Self-diffusion of fluids in narrow cylindrical pores (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2289-2292 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Fluids under stochastic dynamics in narrow cylindrical pores exhibit a dynamical transition from single-file diffusion (SFD) to Fickian bulk diffusion. For long time, the mean square displacement will change as the pore size increases, with a transition from SFD, ∼t1/2, to Fickian, ∼t, while the diffusion coefficient (Dxx) increases from zero. We present a theory of this important process in terms of a hopping time, τhop, leading to Dxx∝(τhop)−1/2 which is verified with simulation. While the crossover is to be expected, the simple form is a priori unanticipated and is likely to be universal. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1490337
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    The morphology of coexisting liquid and frozen phases in porous materials as revealed by exchange of nuclear spin magnetization followed by 1H nuclear magnetic resonance (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2307-2316 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: At low temperatures, liquids imbibed into nanoporous materials form frozen solid cores in the interior of pores. Inbetween the cores and the pore walls, there exists a layer of nonfrozen liquid. As demonstrated here by nuclear magnetic resonance magnetization transfer and cryoporometry experiments, pools of nuclear spins that reside in those two separate domains, core and liquid layer, exchange nuclear Zeeman magnetization. This exchange is detectable in these materials thanks to the high contact area. Based on this phenomenon, we propose a new method for measuring the surface-to-volume ratio and for accessing the pore space morphology in nanoporous materials. By monitoring the magnetization transfer process, information can be obtained: (i) on the geometrical characteristics of the porous space and (ii) on the diffusivity of nuclear magnetization in the frozen phase. The diffusive transport of nuclear magnetization in the frozen core can be contributed by two mechanisms: spatial atomic/molecular diffusion and spin diffusion through nuclear dipole–dipole interaction. For the water–ice system in controlled porous glasses of known morphology, we can separate these two mechanisms to obtain an estimate of the proton diffusion coefficient of 4×10−16 m2/s in ice at 255 K. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1488585
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    Helix formation and folding in an artificial peptide (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2337-2343 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We study the relation between α-helix formation and folding for a simple artificial peptide, Ala10–Gly5–Ala10. Our data rely on multicanonical Monte Carlo simulations where the interactions among all atoms are taken into account. The free-energy landscape of the peptide is evaluated for various temperatures. Our data indicate that folding of this peptide is a two-step process. In the first step two α-helices are formed which afterwards re-arrange themselves into a U-like structure. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1489419
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    Detailed investigations on the photophysical properties of poly(2,5-pyridine diyl) (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2332-2336 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The photophysical properties of poly(2,5-pyridine diyl) (PPY) are characterized in detail using steady state measurements, time correlated single photon counting techniques, and excitation pulse energy dependence of the photoluminescence intensity. Our results show that the blue emission from dilute solution is prompt fluorescence (lifetime ∼10 ps). On the other hand, the green emission from thin solid film consists of phosphorescence as well as delayed fluorescence with lifetimes of ∼4.8 ns and 1.1 ns, respectively. Oxygen complexation plays an important role and increases triplet population in thin film. At low excitation pulse energies, emission in thin film originates mostly from the triplet state, while at higher excitation pulse energies, delayed fluorescence becomes the major part in the emission. Also, at low temperature (20 K), an excimerlike emission is observed to the red side of the PPY emission spectrum in thin film, which is only induced by pressure. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1488583
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    Dynamics and rheology of a supercooled polymer melt in shear flow (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2359-2367 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Using molecular dynamics simulations, we study dynamics of a model polymer melt composed of short chains with bead number N=10 in supercooled states. In quiescent conditions, the stress relaxation function G(t) is calculated, which exhibits a stretched exponential relaxation on the time scale of the α relaxation time τα and ultimately follows the Rouse dynamics characterized by the time τR∼N2τα. After application of shear γ(overdot), transient stress growth σxy(t)/γ(overdot) first obeys the linear growth ∫0tdt′G(t′) for strain less than 0.1 but saturates into a non-Newtonian viscosity for larger strain. In steady states, shear thinning and elongation of chains into ellipsoidal shapes take place for shear γ(overdot) larger than τR−1. In such strong shear, we find that the chains undergo random tumbling motion taking stretched and compact shapes alternatively. We examine the validity of the stress–optical relation between the anisotropic parts of the stress tensor and the dielectric tensor, which are violated in transient states due to the presence of a large glassy component of the stress. We furthermore introduce time-correlation functions in shear to calculate the shear-dependent relaxation times, τα(T,γ(overdot)) and τR(T,γ(overdot)), which decrease nonlinearly as functions of γ(overdot) in the shear-thinning regime. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1488589
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    A quantum dynamics study of H2+OH→H2O+H employing the Wu–Schatz–Lendvay–Fang–Harding potential function and a four-atom implementation of the real wave packet method (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 1604-1613 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We carry out numerous six-dimensional wave packet propagations for H2+OH→H2O+H on the ab initio based, Wu–Schatz–Lendvay–Fang–Harding potential energy function. For comparison, some calculations are also carried out on the older but more widely studied potential function of Walch, Dunning, Schatz, and Elgersma. The energy dependence of the total angular momentum J=0 cumulative reaction probability is obtained and J-shifting is used to estimate the bimolecular rate constant as a function of temperature. Some J〉0 calculations are also carried out. A novel J-shifting procedure, designed to more accurately describe the effects of angular momentum, is introduced. We compare our results with transition state theory calculations and experiment. An important feature of our work is the development of an efficient, four-atom, parallel implementation of the real wave packet method, augmented with a recently developed finite difference method. © 2002 American Institute of Physics.
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    URL: http://dx.doi.org/10.1063/1.1487824
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