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101.
The capacitance matrix method has been implemented in a primitive equation ocean model to accommodate islands and portions of irregular coastal boundaries that cannot be treated adequately by boundary-fitted orthogonal curvilinear co-ordinates. The algorithm preserves the ability to solve the streamfunction equation using fast and accurate elliptic solvers that require a rectangular computational domain. By superposition of a set of island Green functions, the solution is adjusted to ensure continuity of pressure around each island. The implementation is tested by comparison with an analytic solution for wind-driven flow in a closed basin similar to the southwest Pacific Ocean. 相似文献
102.
The concentrations of selected fat-soluble vitamins and carotenoids in Standard Reference Material (SRM) 3280 Multivitamin/Multielement Tablets have been determined by two independent LC methods, with measurements performed by the National Institute of Standards and Technology (NIST). This SRM has been prepared as part of a collaborative effort between NIST and the National Institutes of Health Office of Dietary Supplements. The SRM is also intended to support the Dietary Supplement Ingredient Database that is being established by the U.S. Department of Agriculture. The methods used at NIST to determine the concentration levels of vitamins A and E, and beta-carotene in the SRM used RPLC with absorbance detection. The relative precision of these methods ranged from 2 to 8% for the analytes measured. SRM 3280 is primarily intended for use in validating analytical methods for the determination of selected vitamins, carotenoids, and elements in multivitamin/multielement tablets and similar matrixes. 相似文献
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Walker M. Jones Aaron G. Davis R. Hunter Wilson Katherine L. Elliott Isaiah Sumner 《Journal of computational chemistry》2019,40(22):1969-1977
The mechanism used by the ubiquitin-conjugating enzyme, Ubc13, to catalyze ubiquitination is probed with three computational techniques: Born–Oppenheimer molecular dynamics, single point quantum mechanics/molecular mechanics energies, and classical molecular dynamics. These simulations support a long-held hypothesis and show that Ubc13-catalyzed ubiquitination uses a stepwise, nucleophilic attack mechanism. Furthermore, they show that the first step—the formation of a tetrahedral, zwitterionic intermediate—is rate limiting. However, these simulations contradict another popular hypothesis that supposes that the negative charge on the intermediate is stabilized by a highly conserved asparagine (Asn79 in Ubc13). Instead, calculated reaction profiles of the N79A mutant illustrate how charge stabilization actually increases the barrier to product formation. Finally, an alternate role for Asn79 is suggested by simulations of wild-type, N79A, N79D, and H77A Ubc13: it stabilizes the motion of the electrophile prior to the reaction, positioning it for nucleophilic attack. © 2019 Wiley Periodicals, Inc. 相似文献
106.
Katherine M. Marczenko Joseph A. Zurakowski Karlee L. Bamford Joshua W. M. MacMillan Saurabh S. Chitnis 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(50):18264-18269
A rigid naphthalenediamine framework has been used to prepare antimony hydrides that feature LUMO shapes and energies similar to those found in secondary boranes. By exploiting this feature, we introduce the first examples of uncatalyzed hydrostibination reactions of robust C≡C, C=C, C=O, and N=N bonds as new elementary hydrometalation reactions analogous to hydroboration. These results endorse the notion of a diagonal relationship between the lightest p‐block element and the heaviest Group 15 elements and may lead to the conception of novel reaction chemistry. 相似文献
107.
Justin Mark Michael P. Hanrahan Dr. Katherine E. Woo Shannon Lee Prof. Dr. Aaron J. Rossini Prof. Dr. Kirill Kovnir 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(25):6392-6401
Lithiation of van der Waals tetrel-arsenides, GeAs and SiAs, has been investigated. Electrochemical lithiation demonstrated large initial capacities of over 950 mAh g−1 accompanied by rapid fading over successive cycling in the voltage range 0.01–2 V. Limiting the voltage range to 0.5–2 V achieved more stable cycling, which was attributed to the intercalation process with lower capacities. Ex situ powder X-ray diffraction confirmed complete amorphization of the samples after lithiation, as well as recrystallization of the binary tetrel-arsenide phases after full delithiation in the voltage range 0.5–2 V. Solid-state synthetic methods produce layered phases, in which Si-As or Ge-As layers are separated by Li cations. The first layered compounds in the corresponding ternary systems were discovered, Li0.9Ge2.9As3.1 and Li3Si7As8, which crystallize in the Pbam (No. 55) and P2/m (No. 10) space groups, respectively. Semiconducting layered GeAs and SiAs accommodate the extra charge from Li cations through structural rearrangement in the Si-As or Ge-As layers and eventually by replacement of the tetrel dumbbells with sets of Li atoms. Ge and Si monoarsenides demonstrated high structural flexibility and a mild ability for reversible lithiation. 相似文献
108.
In an effort to slow the progress of climate change, the current scientific community has focused on the reduction of greenhouse gases in order to limit the global average temperature inflation to less than 2 °C. The improvement of thermally controlled construction materials can potentially result in lower energy homes/reduced emissions, and lowering the thermal conductivity of insulation materials improves home energy efficiency. Nanoporous insulation foams impart a drastic decrease in thermal conductivity but many polymer properties must be assessed to produce these materials. Passive phase‐change materials also represent another key energy‐saving device to control heat flux within a living space. Research into unique polymeric systems provides a novel means of encapsulation or creating polymeric cross‐linked matrices to prevent leakage and improve mechanical robustness. These two areas of polymer research in architecture represent key advancements for construction materials aimed toward energy savings and energy‐related emissions control. 相似文献
109.
Katherine A. Seaton 《International Journal of Mathematical Education in Science & Technology》2019,50(7):1063-1072
ABSTRACTTo date, the way that academic misconduct is manifested in undergraduate mathematics coursework has been unexamined in the literature, with the consequence that policy and preventive education can fail to address it appropriately. This paper describes the particular features of the responses expected in mathematical tasks and provides concrete examples of what lapses of integrity look like in this context. The intent is to lay groundwork for discussion and a response to this issue from within our discipline. 相似文献
110.