|标识符号||GHS02, GHS07, GHS08, GHS09|
Molecular docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function ...Read More
An experiment study has been carried out to investigate effects of the diameter of soil columns, the size of soil particulate and different contaminants on efficiency of simulated soil vapor extractio...Read More
Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant.
The substrate-free crystal structure of a five-mutation directed evolution variant of CYP102A1 (P450(BM3)) with generic activity-enhancing properties ("KT2") has been determined to 1.9-? res...Read More
Understanding the importance of the viscosity contrast between the sample solvent plug and the mobile phase and its potential consequence in two-dimensional high-performance liquid chromatography
The effect of solvent viscosity mismatch on elution performance in reversed-phase HPLC was studied using moment analysis. Two conditions were tested: (1) the mobile phase viscosity was less than the i...Read More
Evolved CYP102A1 (P450BM3) variants oxidise a range of non-natural substrates and offer new selectivity options.
The evolution of CYP102A1 variants with enhanced activity and altered specificity characteristics....Read More
The kinetics of oxidation of kerosene Jet A-1 and a kerosene/rapeseed oil methyl ester (RME) mixture (80/20, mol/mol) (biokerosene) was studied experimentally in a jet-stirred reactor at 10 atm and co...Read More
Propylphenols are metabolites in the anaerobic biodegradation of propylbenzene under iron-reducing conditions.
The metabolism of monoaromatic hydrocarbons by an iron-reducing bacterial enrichment culture originating from diesel-contaminated groundwater was examined using d7-propylbenzene as a model hydrocarbon...Read More
Application of low-temperature glassy carbon-coated macrofibers for solid-phase microextraction analysis of simulated breath volatiles.
With increasing interest in the detection of disease-related volatile organic compounds (VOCs) found in human breath, breath analysis could prove to be a very useful diagnostic tool, especially for th...Read More
[A new method for predicting retention time of solutes under linear gradient elution conditions in RP-HPLC].
A new method for predicting the retention time of solutes under linear gradient elution has been established. In this method, the migration distance of solutes in column and the mobile phase gradient ...Read More
Residue size at position 87 of cytochrome P450 BM-3 determines its stereoselectivity in propylbenzene and 3-chlorostyrene oxidation.
We report here oxidation of propylbenzene and 3-chlorostyrene by wild-type cytochrome P450 BM-3 with high turnover (479 nmol 1-phenyl-1-propanol/min/nmol P450 and 300 nmol 3-chlorostyrene oxide/min/nm...Read More
Effects of volatile solvents on recombinant N-methyl-D-aspartate receptors expressed in Xenopus oocytes.
1. We have previously shown that toluene dose-dependently inhibits recombinant N-methyl-D-aspartate (NMDA) receptors at micromolar concentrations. This inhibition was rapid, almost complete and revers...Read More
Anaerobic degradation of alkylbenzenes with side chains longer than that of toluene was studied in freshwater mud samples in the presence of nitrate. Two new denitrifying strains, EbN1 and PbN1, were ...Read More
Pseudomonas desmolytica S449B1 and Pseudomonas convexa S107B1 grown on n-propylbenzene oxidized n-propylbenzene to beta-phenylpropionic acid and benzoic acid by initial oxidation of the n-propyl side ...Read More
Small molecules with two or more stable conformations when embedded in a glass-forming liquid (matrix) serve the role of "conformational probes", i.e., their conformational transitions are u...Read More
Active flow management in preparative chromatographic separations: a preliminary investigation into enhanced separation using a curtain flow inlet fitting and segmented flow outlet fitting.
Active flow management in the form of curtain flow sample introduction and segmented outlet flow control has been shown to enable sample to elute through a chromatography column under the principles o...Read More
Investigation of charge localization and charge delocalization in model molecules by multiphoton ionization photoelectron spectroscopy and DFT calculations.
In this work we focus on the question to which degree a surplus charge is localized or delocalized in extended molecular systems. Molecules consisting of a flexible tail and the benzene chromophore, s...Read More
We assayed the tolerance to solvents of three toluene-degrading Pseudomonas putida strains and Pseudomonas mendocina KR1 in liquid and soil systems. P. putida DOT-T1 tolerated concentrations of heptan...Read More
A full evaporation headspace technique with capillary GC and ITD: a means for quantitating volatile organic compounds in biological samples.
The full evaporation technique (FET), which is a variant of headspace analysis used to overcome matrix effects, was combined with capillary gas chromatography (GC) and ion-trap detection (ITD). The ai...Read More
Relationship between hydrocarbon structure and induction of P450: effects on protein levels and enzyme activities.
1. Treatment of male rat with the small aromatic hydrocarbons, benzene, toluene, ethylbenzene, n-propylbenzene, m-xylene, and p-xylene increased several P450-dependent activities, with ethylbenzene, m...Read More
QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...Read More