نتایج جستجو برای: am1 semi
تعداد نتایج: 142683 فیلتر نتایج به سال:
Lung biotransformation of the immunosuppressants, cyclosporin A (CSA), the hydroxyethyl derivative SDZ IMM 125 (IMM), and the methylcarbonate derivative SDZ SCP 764 (SCP), was demonstrated in slices from human and rat. The major biotransformation pathway for CSA and IMM (0.1-10 microM) was hydroxylation at amino acid 1 to form AM1 or IMM1, while for SCP it was an esterase cleavage of the methyl...
BACKGROUND 3-Hydroxypropionic acid (3-HP) is an important platform chemical, serving as a precursor for a wide range of industrial applications such as the production of acrylic acid and 1,3-propanediol. Although Escherichia coli or Saccharomyces cerevisiae are the primary industrial microbes for the production of 3-HP, alternative engineered hosts have the potential to generate 3-HP from other...
این مقاله دسته جدیدی از لیگاندهای دودندانه را به عنوان داروهای پادزهر معرفی می کند. در این مقاله به کمک کمحاسبات تئوری در سطح am1 اثبات می شود که برخی اسیدهای آمینه طبیعی کمپلکسهای بسیار پایداری با zn2+ می دهند. محاسبات نشان می دهند که اسیدهای آمینه تریونین و سرین کاندیداهای بهتری هستند.
The assimilation of one-carbon (C1) compounds, such as methanol, by serine cycle methylotrophs requires the continuous regeneration of glyoxylate. Instead of the glyoxylate cycle, this process is achieved by a not yet established pathway where CoA thioesters are known to play a key role. We applied state-of-the-art metabolomics and (13)C metabolomics strategies to demonstrate how glyoxylate is ...
objective(s): the structure- activity relationship of a series of 36 molecules, showing l-type calcium channel blocking was studied using a qsar (quantitative structure–activity relationship) method. materials and methods: structures were optimized by the semi-empirical am1 quantum-chemical method which was also used to find structure-calcium channel blocking activity trends. several types of d...
in this work, quantitative structure-property relationship (qspr) approaches were used to predict the redox potential of 42 phenolic antioxidants. the structures of all compounds optimized by the am1 semi-empirical method and then a large number of molecular descriptors were calculated for each compound in the data set. subsequently, stepwise multilinear regression was applied to select the mos...
in this work, quantitative structure-property relationship (qspr) approaches were used to predict the redox potential of 42 phenolic antioxidants. the structures of all compounds optimized by the am1 semi-empirical method and then a large number of molecular descriptors were calculated for each compound in the data set. subsequently, stepwise multilinear regression was applied to select the mos...
The oxidation behavior of the Ni-base single-crystal superalloy AM1 was investigated over temperature range 750–1300 °C. use stepwise multi-temperature thermogravimetric analysis (SMT-TGA) showed presence a transient regime. This regime can be modeled by initial formation fast-growing mixed oxide and then ?-alumina gradually covering metal/oxide interface. model helps to determine time required...
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