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  • Chemistry
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  • Gas chromatography
  • 2015-2019  (22)
  • 1995-1999
  • 2018  (22)
  • 1
    Publication Date: 2018-08-10
    Description: Understanding the practical limitations of chemical reactions is critically important for efficiently planning the synthesis of compounds in pharmaceutical, agrochemical, and specialty chemical research and development. However, literature reports of the scope of new reactions are often cursory and biased toward successful results, severely limiting the ability to predict reaction outcomes for untested substrates. We herein illustrate strategies for carrying out large-scale surveys of chemical reactivity by using a material-sparing nanomole-scale automated synthesis platform with greatly expanded synthetic scope combined with ultrahigh-throughput matrix-assisted laser desorption/ionization–time-of-flight mass spectrometry (MALDI-TOF MS).
    Keywords: Chemistry
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Geosciences , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 2
    Publication Date: 2018-12-14
    Description: Theory has established the importance of geometric phase (GP) effects in the adiabatic dynamics of molecular systems with a conical intersection connecting the ground- and excited-state potential energy surfaces, but direct observation of their manifestation in chemical reactions remains a major challenge. Here, we report a high-resolution crossed molecular beams study of the H + HD -〉 H 2 + D reaction at a collision energy slightly above the conical intersection. Velocity map ion imaging revealed fast angular oscillations in product quantum state–resolved differential cross sections in the forward scattering direction for H 2 products at specific rovibrational levels. The experimental results agree with adiabatic quantum dynamical calculations only when the GP effect is included.
    Keywords: Chemistry
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Geosciences , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 3
    Publication Date: 2018-04-13
    Description: Machine learning methods are becoming integral to scientific inquiry in numerous disciplines. We demonstrated that machine learning can be used to predict the performance of a synthetic reaction in multidimensional chemical space using data obtained via high-throughput experimentation. We created scripts to compute and extract atomic, molecular, and vibrational descriptors for the components of a palladium-catalyzed Buchwald-Hartwig cross-coupling of aryl halides with 4-methylaniline in the presence of various potentially inhibitory additives. Using these descriptors as inputs and reaction yield as output, we showed that a random forest algorithm provides significantly improved predictive performance over linear regression analysis. The random forest model was also successfully applied to sparse training sets and out-of-sample prediction, suggesting its value in facilitating adoption of synthetic methodology.
    Keywords: Chemistry
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Geosciences , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 4
    Publication Date: 2021-05-19
    Description: The sex reversal technique in fish is widespread in many countries. The development of these techniques is desirable because rainbow trout males reach their gonad maturity earlier compared to the females. Rainbow trout alevins were treated with 17α-methyltestosterone incorporated in the diet (0.5. 1.5, 3, 6 and 10 mg/kg) for 60 days from the beginning of first feeding. Sex was determined at 180 and 680 dpf by sampling fish (n = 20) from each group and examining gross gonadal morphology under a dissecting microscope. Also sex reversal ratio and growth performance were determined in hormone-treated groups. These sex reversed functional males were reared for brood stock until they attained sexual maturity. At the end of experiment, normal rainbow trout eggs were fertilized with the sperms taken from sex reversed males for producing all-female populations. Examination of the results showed that 17α- methyltestosterone was effective in all treatment. The highest sex reversal ratio with 100% was observed in group treated with 0.5, 1.5 and 3 mg/kg 17α- methyltestosterone. The highest live weight ratios were observed in groups fed with 6, 0.5 17α-methyltestosterone and control group. Female progeny produced from the sex reversed males were 100 % in all males that sired offspring. All female trout stocks produced by this method have advantage in rainbow trout culture since the fish is not meant for direct human consumption and is used to generate brood stock, therefore, difference of growth parameters do not influence the success.
    Description: Iranian Fisheries Science Research Institute
    Description: Published
    Keywords: Sex differentiation ; Oncorhynchus mykiss ; Sex reversal ; Hormone treatment ; 17-αmethyltestosterone ; Female ; Population ; Steroids ; Gonad ; Maturity ; Rainbow trout ; Sexual
    Repository Name: AquaDocs
    Type: Report , Refereed
    Format: 38pp.
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  • 5
    Publication Date: 2021-05-19
    Description: During the fishing season, the statistical study on biological observation was carried out in four fishing stations located in the south west of the Caspian sea. During the research activity 2806 stellate sturgeon were sampled. The resualt revealed that the ratio of stellate eggs weight used in processing of caviar were 20.7% of the total weight of the body. The number of females were more than males in the catch (77.8%) . In 1991 the average lenght of females was 134.1 cm and the average weight with internal organs was 11.86 kg. But the mean lenght and weight in 1993 were 120.5 cm and 11.6 kg. The average age for female and male were estimated 12 and 10 years old respectively. Among the samples 92.7% of females were in the fourth stage of maturity and 60.4% of males were in third stage of maturity. In spite of the fact that during 1984-1991 fishing effort for catching Acipenser had been increased, yielding caviar had been decreased. This state was continued until 1994. So it was revealed that increasing fishing efforts wasn't led to increase the exploitation of Acipenser stocks.
    Description: Published
    Keywords: Acipenser stellatus ; Female ; Male ; Caviar ; Weight ; Body ; Biological ; Fishing ; Eggs
    Repository Name: AquaDocs
    Type: Journal Contribution , Refereed
    Format: pp.49-64
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  • 6
    Publication Date: 2021-05-19
    Description: The Kutum, Rutilus frisii kutum, is one of the most important bony fishes in Iranian coastal of Caspian Sea. Its harvest range is between 9000-10000 tons in a year, nearly 60% of the income of Bony fish fishery produced by kutum fishery. The stock of this species reduced drastically in 1982 and the catch slumped to the less than 250 tons in a year. Kutum spawning grounds deterioration, illegal catch, lack of restocking program were the main cause of the decline. This Spices in nature comprised by two distinct form, autumn and spring form. It is worth to be mentioned, by the effect of Caspian Sea Bony fishes Research Center s experts in 1983, artificial spawning and releasing the fries to the sea were commenced and the catch steadily improved. But all activities concerning restocking of kutum concentrated in spring form, as at present about 260 million its fries are released into sea for restocking by Iranian Fisheries Organization, but for above reasons and lack of restocking program, the populations of autumn form gravely shrinked and neared to be extinct. Therefore, to enhance the biodiversity and boost fishers livelihood of kutum in Caspian Sea this project implemented by cooperation of Iranian Fisheries Organization (IFRO) and Caspian Environment Program (CEP) in Aquaculture Institute (Inland Waters). In this project, brooders caught from Anzali lagoon and maintained in two different condition, include of floating cages in Anzali lagoon and earthen ponds in Sefidrud Fisheries Research Station. The results showed that there weren t significant differences between two maintenance statuses in maturation period and other reproductive characteristics of brooders. The ratio of male to female was 1 to 1.4. Minimum and maximum weight measured 1450 to 3100 g (with average of 1850 g) in female and 670 to 1900 g (with average of 1165 g) in male, respectively. The first natural spawning of brooders occurred in the end of January in temperature of 8 till 10 °C in concrete ponds. Also, some of maintained brooders in earthen ponds spawned in February. The average number of absolute, function and relative fecundity determined 88565 16809, 73805 14008 and 48670 12056, respectively. For artificial spawning, male and female brooders injected by pituitary gland with dose of 2-3 and 4-5 mg/kg body weight, respectively. Approximately, 10 and 8 present of female were over-ripe and immature in March (artificial spawning time), respectively. More than 59 % of injected female brooders induced to spawning in first stage after 10-12 hours and 13 % of them in twice stage and 7-8 hours after first stage. And also, 27.6% of females didn’t positive response to injection. Dry method used for eggs fecundity and incubation period lasted 7- 10 days in 14-16 °C. In totally, eggs fertilization were more than 95% and the average of eggs fertilization percent in throughout of period measured more than 92.7 6 %. Eyed eggs appearance occurred 3 days after fecundity and its mean was 92.7 15.1%. Larvae after yolk sac absorption feed with dry milk for 4-5 days and then introduced into fertilized earthen ponds (500 m2 and equipped to aerators) in intensive condition and fed with micro pellet food for 3-4 month. In finally, more than 1.8 millions fries of 1-2 g and some more than 5 g produced and released into Anzali lagoon to its restocking for first time. It is expected that continuing of restocking process of autumn form kutum by Iranian Fisheries Organization eventuate to population increasing of this form in Caspian Sea in future.
    Description: Iranian Fisheries Science Research Institute
    Description: Published
    Keywords: Artificial propagation ; Culture ; Rutilus frisii kutum ; Kutum ; Bony Fish ; Fishery ; Spawning ; Biodiversity ; Aquaculture ; Brooders ; Fecundity ; Male ; Female ; Population
    Repository Name: AquaDocs
    Type: Report , Refereed
    Format: 79pp.
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  • 7
    Publication Date: 2018-02-16
    Description: Labinger argues that stepwise reaction of methane with water to produce methanol and hydrogen will never be commercially feasible because of its substoichiometric basis with respect to the active site and the requirement of a large temperature swing. This comment is not touching any new ground, beyond describing the thermodynamic feasibility, thermal cycling, and the role of water as discussed previously. Most important, it does not have a solid numerical basis.
    Keywords: Chemistry
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Geosciences , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 8
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    American Association for the Advancement of Science (AAAS)
    In: Science
    Publication Date: 2018-08-17
    Description: The chemistry of the carbonyl group is essential to modern organic synthesis. The preparation of substituted, enantioenriched 1,3- or 1,5-dicarbonyls is well developed, as their disconnection naturally follows from the intrinsic polarity of the carbonyl group. By contrast, a general enantioselective access to quaternary stereocenters in acyclic 1,4-dicarbonyl systems remains an unresolved problem, despite the tremendous importance of 2,3-substituted 1,4-dicarbonyl motifs in natural products and drug scaffolds. Here we present a broad enantioselective and stereodivergent strategy to access acyclic, polysubstituted 1,4-dicarbonyls via acid-catalyzed [3,3]-sulfonium rearrangement starting from vinyl sulfoxides and ynamides. The stereochemistry at sulfur governs the absolute sense of chiral induction, whereas the double bond geometry dictates the relative configuration of the final products.
    Keywords: Chemistry
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Geosciences , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 9
    Publication Date: 2018-09-21
    Description: Phosphorothioate nucleotides have emerged as powerful pharmacological substitutes of their native phosphodiester analogs with important translational applications in antisense oligonucleotide (ASO) therapeutics and cyclic dinucleotide (CDN) synthesis. Stereocontrolled installation of this chiral motif has long been hampered by the systemic use of phosphorus(III) [P(III)]–based reagent systems as the sole practical means of oligonucleotide assembly. A fundamentally different approach is described herein: the invention of a P(V)-based reagent platform for programmable, traceless, diastereoselective phosphorus-sulfur incorporation. The power of this reagent system is demonstrated through the robust and stereocontrolled synthesis of various nucleotidic architectures, including ASOs and CDNs, via an efficient, inexpensive, and operationally simple protocol.
    Keywords: Chemistry
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Geosciences , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 10
    Publication Date: 2018-09-28
    Description: Some of the simplest and most powerful carbon-carbon bond forming strategies take advantage of readily accessible ubiquitous motifs: carbonyls and olefins. Here we report a fundamentally distinct mode of reactivity between carbonyls and olefins that differs from established acid-catalyzed carbonyl-ene, Prins, and carbonyl-olefin metathesis reaction paths. A range of epsilon, zeta-unsaturated ketones undergo Brønsted acid–catalyzed intramolecular cyclization to provide tetrahydrofluorene products via the formation of two new carbon-carbon bonds. Theoretical calculations and accompanying mechanistic studies suggest that this carbocyclization reaction proceeds through the intermediacy of a transient oxetane formed by oxygen atom transfer. The complex polycyclic frameworks in this product class appear as common substructures in organic materials, bioactive natural products, and recently developed pharmaceuticals.
    Keywords: Chemistry
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Geosciences , Computer Science , Medicine , Natural Sciences in General , Physics
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