نتایج جستجو برای: molecular structure

تعداد نتایج: 2088129  

Giris C.Panda Henry Freiser Masoud Hojjatie Saswait P.Bag Subramaniam Muralidharan

The effect of alkyl substituents on the C-phenyl and/or the N-Phenyl ring of benzophenylhydroxamic acid on their molecular structure and hydrogen bonding has been investigated. The predominant configuration in CHCl3 is determined by steric and electronic effects. Substituents on the C-phenyl ring favor the cis configuration, while substituents in the N-phenyl ring favor a trans c...

ژورنال: مواد پرانرژی 2018
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Plasticizers are small molecules with low molecular weight. These compounds typically have an esteric structure. The plasticizers reduce the glass transition temperature and the viscosity of the polymer to enhance the flexibility and processability of polymer materials. The main problem with these additives is that, over time, they migrate from the polymeric matrix and exude to the surface of p...

Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative St...

Journal: :journal of the iranian chemical research 0
mehrana motiee young researchers club, islamic azad university, arak branch, arak, iran

an important property that has been extensively studied in quantitative structure activityrelationship (qsar) is the chromatographic retention index. qsar study is suggested for theprediction of retention index of alkanes and alkenes compounds. modeling of the retention indexof alkanes and alkenes compounds as a function of molecular structures was established bydifferent chemometrics methods. ...

Journal: :applied biotechnology reports 0
morteza mirzaei applied biotechnology research center, baqiyatallah university of medical sciences, tehran, iran ali mohammad latifi rahim jafari

efficiency of enzymes which are used in industrial or environmental applications is highly dependent on their thermal stability. in this study, the stability of dfpase has been evaluated after introducing disulfide bonds to the structure. the results obtained from a series of protein design software were subjected to molecular dynamics simulation at different temperature to test the performance...

Journal: :The Journal of Chemical Physics 1952

Journal: :Acta Chemica Scandinavica 1973

Journal: :Nippon kagaku zassi 1951

Journal: :The Journal of Antibiotics 1969

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