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  • Molecular Diversity Preservation International  (229,834)
  • American Chemical Society (ACS)  (66,957)
  • 2015-2019  (296,791)
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  • 1
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    Glucose as a Potential Chemical Marker for Ice Nucleating Activity in Arctic Seawater and Melt Pond Samples (2019)
    American Chemical Society (ACS)
    In:  EPIC3Environmental Science and Technology, American Chemical Society (ACS), 53(15), pp. 8747-8756, ISSN: 0013-936X
    Details
    Publication Date: 2024-04-12
    Description: Recent studies pointed to a high ice nucleating activity (INA) in the Arctic sea surface microlayer (SML). However, related chemical information is still sparse. In the present study, INA and free glucose concentrations were quantified in Arctic SML and bulk water samples from the marginal ice zone, the ice-free ocean, melt ponds, and open waters within the ice pack. T50 (defining INA) ranged from −17.4 to −26.8 °C. Glucose concentrations varied from 0.6 to 51 μg/L with highest values in the SML from the marginal ice zone and melt ponds (median 16.3 and 13.5 μg/L) and lower values in the SML from the ice pack and the ice-free ocean (median 3.9 and 4.0 μg/L). Enrichment factors between the SML and the bulk ranged from 0.4 to 17. A positive correlation was observed between free glucose concentration and INA in Arctic water samples (T50(°C) = (−25.6 ± 0.6) + (0.15 ± 0.04)·Glucose(μg/L), RP = 0.66, n = 74). Clustering water samples based on phytoplankton pigment composition resulted in robust but different correlations within the four clusters (RP between 0.67 and 0.96), indicating a strong link to phytoplankton-related processes. Since glucose did not show significant INA itself, free glucose may serve as a potential tracer for INA in Arctic water samples.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 2
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    The Molecular Fingerprint of Fluorescent Natural Organic Matter Offers Insight into Biogeochemical Sources and Diagenetic State (2018)
    American Chemical Society (ACS)
    In:  EPIC3Analytical Chemistry, American Chemical Society (ACS), 90(24), pp. 14188-14197, ISSN: 0003-2700
    Details
    Publication Date: 2024-04-09
    Description: Investigating the biogeochemistry of dissolved organic matter (DOM) requires the synthesis of data from several complementary analytical techniques. The traditional approach to data synthesis is to search for correlations between measurements made on the same sample using different instruments. In contrast, data fusion simultaneously decomposes data from multiple instruments into the underlying shared and unshared components. Here, Advanced Coupled Matrix and Tensor Factorization (ACMTF) was used to identify the molecular fingerprint of DOM fluorescence fractions in Arctic fjords. ACMTF explained 99.84% of the variability with six fully shared components. Individual molecular formulas were linked to multiple fluorescence components and vice versa. Molecular fingerprints differed in diversity and oceanographic patterns, suggesting a link to the biogeochemical sources and diagenetic state of DOM. The fingerprints obtained through ACMTF were more specific compared to traditional correlation analysis and yielded greater compositional insight. Multivariate data fusion aligns extremely complex, heterogeneous DOM data sets and thus facilitates a more holistic understanding of DOM biogeochemistry.
    Repository Name: EPIC Alfred Wegener Institut
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  • 3
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    Grand Canonical Monte Carlo Simulations on Phase Equilibria of Methane, Carbon Dioxide, and Their Mixture Hydrates (2018)
    American Chemical Society (ACS)
    In:  The Journal of Physical Chemistry B, 122 (42). pp. 9724-9737.
    Details
    Publication Date: 2021-01-08
    Description: The cage occupancy plays a crucial role in the thermodynamic stability of clathrate hydrates and is an important quantity for understanding the CO2–CH4 replacement phenomenon. In this work, the occupancy isotherms of pure CH4, pure CO2, and their mixture in sI and sII hydrates are studied by GCMC + MD simulations. The adsorption of CH4 and CO2 + CH4 in the sI and sII hydrates can be categorized as the one-site Langmuir type. The calculated occupancy ratio θL/θS and the abundance ratio of CO2 to CH4 vary with the temperature and pressure, which provide the prerequisite information for the prediction of CH4 recovery yield at different conditions in the CO2–CH4 gas exchange process. The phase equilibria of clathrate hydrates of pure gases and mixtures are explored and the corresponding heat of dissociation and hydration numbers are determined. The current investigation provides new perspectives to understand the mechanism behind the gas adsorption behavior of clathrate hydrates.
    Type: Article , PeerReviewed
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  • 4
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    Use of Waste-Derived Biochar to Remove Copper from Aqueous Solution in a Continuous-Flow System (2017)
    American Chemical Society (ACS)
    In:  Industrial & Engineering Chemistry Research, 56 (44). pp. 12755-12762.
    Details
    Publication Date: 2020-02-06
    Description: The discharges from industrial processes constitute the main source of copper contamination in aqueous ecosystems. In this study we investigated the capacity of different types of biochar (derived from chicken manure, eucalyptus, corncob, olive mill and pine sawdust) to remove copper from aqueous solution in a continuous-flow system. The flow rate of the system strongly influenced the amount of copper retained. The adsorption to the corncob biochar varied from 5.51 to 3.48 mg Cu g-1 as the flux decreased from 13 to 2.5 mL min-1. The physicochemical characteristics of biochar determine the copper retention capacity and the underlying immobilization mechanisms. Biochars with high inorganic contents retain the largest amounts of copper and may be suitable for using in water treatment systems to remove heavy metals. The copper retention capacity of the biochars ranged between ~1.3 and 26 mg g-1 and varied in the following order: chicken manure 〉 olive mill 〉〉 corncob 〉 eucalyptus 〉 sawdust pine.
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  • 5
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    Methane Bubble Size Distributions, Flux, and Dissolution in a Freshwater Lake (2017)
    American Chemical Society (ACS)
    In:  Environmental Science & Technolog, 51 (23). pp. 13733-13739.
    Details
    Publication Date: 2020-02-06
    Description: The majority of methane produced in many anoxic sediments is released via ebullition. These bubbles are subject to dissolution as they rise, and dissolution rates are strongly influenced by bubble size. Current understanding of natural methane bubble size distributions is limited by the difficulty in measuring bubble sizes over wide spatial or temporal scales. Our custom optical bubble size sensors recorded bubble sizes and release timing at 8 locations in Upper Mystic Lake, MA continuously for 3 months. Bubble size distributions were spatially heterogeneous even over relatively small areas experiencing similar flux, suggesting that localized sediment conditions are important to controlling bubble size. There was no change in bubble size distributions over the 3 month sampling period, but mean bubble size was positively correlated with daily ebullition flux. Bubble data was used to verify the performance of a widely used bubble dissolution model, and the model was then used to estimate that bubble dissolution accounts for approximately 10% of methane accumulated in the hypolimnion during summer stratification, and at most 15% of the diffusive air–water–methane flux from the epilimnion.
    Type: Article , PeerReviewed
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  • 6
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    Comparison of Raman and Fourier Transform Infrared Spectroscopy for the Quantification of Microplastics in the Aquatic Environment (2018)
    American Chemical Society (ACS)
    In:  Environmental Science & Technology, 52 (22). pp. 13279-13288.
    Details
    Publication Date: 2020-01-02
    Description: Microplastics (MPs, 〈5 mm) have been reported as emerging environmental contaminants, but reliable data are still lacking. We compared the two most promising techniques for MP analysis, namely, Raman and Fourier transform infrared (FTIR) spectroscopy, by analyzing MPs extracted from North Sea surface waters. Microplastics 〉500 μm were visually sorted and manually analyzed by μ-Raman and attenuated total reflection (ATR)-FTIR spectroscopy. Microplastics ≤500 μm were concentrated on gold-coated filters and analyzed by automated single-particle exploration coupled to μ-Raman (ASPEx-μ-Raman) and FTIR imaging (reflection mode). The number of identified MPs 〉500 μm was slightly higher for μ-Raman (+23%) than ATR-FTIR analysis. Concerning MPs ≤500 μm, ASPEx-μ-Raman quantified two-times higher MP numbers but required a four-times higher analysis time compared to FTIR imaging. Because ASPEx-μ-Raman revealed far higher MP concentrations (38–2621 particles m–3) compared to the results of previous water studies (0–559 particles m–3), the environmental concentration of MPs ≤500 μm may have been underestimated until now. This may be attributed to the exceptional increase in concentration with decreasing MP size found in this work. Our results demonstrate the need for further research to enable time-efficient routine application of ASPEx-μ-Raman for reliable MP counting down to 1 μm.
    Type: Article , PeerReviewed
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  • 7
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    Investigation of Plasma-Assisted Functionalization of Graphitic Materials for Epoxy Composites (2019)
    Molecular Diversity Preservation International
    Details
    Publication Date: 2019-12-31
    Description: In this study we evaluated the effect of microwave vacuum plasma for the surface functionalization of graphitic fillers (graphite and graphene); we also showed the effect of the functionalization on the mechanical and electrical properties of epoxy composites. Optimized conditions of plasma treatment were defined to obtain high plasma density and increased surface hydrophilicity of the fillers, with high stability of functionalization over time and temperature. However, the extent of such treatments proved to be limited by the high temperatures involved in the curing process of the resin. The use of specific gas mixtures (He/O2) during functionalization and the use of a high surface filler (graphene) can partially limit these negative effects thanks to the higher thermal stability of the induced functionalization. As a consequence, mechanical tests on graphene filled epoxies showed limited improvements in flexural properties while electrical resistivity is slightly increased with a shift of the percolation threshold towards higher filler concentration.
    Electronic ISSN: 2079-4991
    Topics: Physics
    Published by Molecular Diversity Preservation International
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  • 8
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    Synthesis of Monolayer MoSe2 with Controlled Nucleation via Reverse-Flow Chemical Vapor Deposition (2019)
    Molecular Diversity Preservation International
    Details
    Publication Date: 2019-12-31
    Description: Two-dimensional (2D) layered semiconductor materials, such as transition metal dichalcogenides (TMDCs), have attracted considerable interests because of their intriguing optical and electronic properties. Controlled growth of TMDC crystals with large grain size and atomically smooth surface is indeed desirable but remains challenging due to excessive nucleation. Here, we have synthesized high-quality monolayer, bilayer MoSe2 triangular crystals, and continuous thin films with controlled nucleation density via reverse-flow chemical vapor deposition (CVD). High crystallinity and good saturated absorption performance of MoSe2 have been systematically investigated and carefully demonstrated. Optimized nucleation and uniform morphology could be achieved via fine-tuning reverse-flow switching time, growth time and temperature, with corresponding growth kinetics proposed. Our work opens up a new approach for controllable synthesis of monolayer TMDC crystals with high yield and reliability, which promote surface/interface engineering of 2D semiconductors towards van der Waals heterostructure device applications.
    Electronic ISSN: 2079-4991
    Topics: Physics
    Published by Molecular Diversity Preservation International
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  • 9
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    Nitrogen-Doped Porous Carbon Derived from Biomass Used as Trifunctional Electrocatalyst toward Oxygen Reduction, Oxygen Evolution and Hydrogen Evolution Reactions (2019)
    Molecular Diversity Preservation International
    Details
    Publication Date: 2019-12-31
    Description: Tremendous developments in energy storage and conversion technologies urges researchers to develop inexpensive, greatly efficient, durable and metal-free electrocatalysts for tri-functional electrochemical reactions, namely oxygen reduction reactions (ORRs), oxygen evolution reactions (OERs) and hydrogen evolution reactions (HERs). In these regards, this present study focuses upon the synthesis of porous carbon (PC) or N-doped porous carbon (N-PC) acquired from golden shower pods biomass (GSB) via solvent-free synthesis. Raman spectroscopy, X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) studies confirmed the doping of nitrogen in N-PC. In addition, morphological analysis via field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) provide evidence of the sheet-like porous structure of N-PC. ORR results from N-PC show the four-electron pathway (average n = 3.6) for ORRs with a Tafel slope of 86 mV dec−1 and a half-wave potential of 0.76 V. For OERs and HERs, N-PC@Ni shows better overpotential values of 314 and 179 mV at 10 mA cm−2, and its corresponding Tafel slopes are 132 and 98 mV dec−1, respectively. The chronopotentiometry curve of N-PC@Ni reveals better stability toward OER and HER at 50 mA cm−2 for 8 h. These consequences provide new pathways to fabricate efficient electrocatalysts of metal-free heteroatom-doped porous carbon from bio-waste/biomass for energy application in water splitting and metal air batteries.
    Electronic ISSN: 2079-4991
    Topics: Physics
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  • 10
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    Smart Non-Woven Fiber Mats with Light-Induced Sensing Capability (2019)
    Molecular Diversity Preservation International
    Details
    Publication Date: 2019-12-31
    Description: This article is focused on the facile procedure for 2D graphene oxide (GO) fabrication, utilizing reversible de-activation polymerization approach and therefore enhanced compatibility with surrounding polymer matrix. Such tunable improvement led to a controllable sensing response after irradiation with light. The neat GO as well as surface initiated atom transfer radical polymerization (SI-ATRP) grafted particles were investigated by atomic force microscopy, Fourier transform infrared spectroscopy and thermogravimetric analysis. To confirm the successful surface reduction, X-ray photoelectron spectroscopy and Raman spectroscopy was utilized. The composites in form of non-woven fiber mats containing ungrafted GO and controllably grafted GO with compact layer of polymer dispersed in poly(vinylidene-co-hexafluoropropylene) were prepared by electrospinning technique and characterized by scanning electron microscopy. Mechanical performance was characterized using dynamic mechanical analysis. Thermal conductivity was employed to confirm that the conducting filler was well-dispersed in the polymer matrix. The presented controllable coating with polymer layer and its impact on the overall performance, especially photo-actuation and subsequent contraction of the material aiming on the sensing applications, was discussed.
    Electronic ISSN: 2079-4991
    Topics: Physics
    Published by Molecular Diversity Preservation International
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