A Kirkwood−Buff Derived Force Field for Thiols, Sulfides, and Disulfides
نویسندگان
چکیده
منابع مشابه
Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene.
An extension of the transferable potentials for phase equilibria united-atom (TraPPE-UA) force field to thiol, sulfide, and disulfide functionalities and thiophene is presented. In the TraPPE-UA force field, nonbonded interactions are governed by a Lennard-Jones plus fixed point charge functional form. Partial charges are determined through a CHELPG analysis of electrostatic potential energy su...
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کاتالیست یک سنتز جدید برای تیواترها توصیف شده است. واکنش الکل ها با آریل، هتروآریل و آلکیل تیو ل ها درحضور 1،3،5- تری آزو- 2،4،6- تری فسفرین-2،2،4،4،6،6 هگزاکلراید ((tapc به عنوان یک کاتالیست موُثر، بازده های خوب تا عالی از تیواترها را حاصل می کند. علاوه براین، واکنش تحت شرایط بدون فلز و بدون حلال پیش می رود، بنابراین یک مکمل جالب برای روش های شناخته شده سنتز تیواترها ارائه می دهد. یک مکانیسم ا...
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Thestructure of self-assembledmonolayers (SAMs) of various fluorinateddisulfides, perfluoroalkylamide thiols, and a mixed alkyl perfluoroalkylamide disulfide on sputtered gold was studied by atomic force microscopy (AFM). AFM, performed both in air and in ethanol, revealed the monolayer structure with molecular resolutionon thepolycrystallinegoldsubstrates. Forall partially fluorinateddisulfide...
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Chiral aziridine sulfides and disulfides were synthesized from readily available and inexpensive R-cysteine by a Mitsunobu reaction; their application in the addition of diethylzinc to aldehydes provides secondary alcohols with up to 99% ee and S-configuration.
متن کاملDevelopmental changes in the levels and redox potentials of main hemolymph thiols/disulfides in the Jamaican field cricket Gryllus assimilis.
Main thiols and disulfides were determined in the hemolymph of the Jamaican field cricket Gryllus assimilis at various developmental stages. On the basis of these data, redox potentials of the glutathione, cysteine and homocysteine redox systems were calculated. The concentrations of all thiols studied decreased during development (at a stage of 6 molts) with respect to young crickets, and incr...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2009
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp904806f