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Molecular Diversity - 1,2,4-Triazole-containing scaffolds are unique heterocyclic compounds present in an array of pharmaceuticals and biologically important compounds used in the drug-discovery... 相似文献
3.
Farrokh Gharib Ali Shamel Fatemeh Jaberi Ali Farajtabar 《Journal of solution chemistry》2013,42(5):1083-1095
The solvatochromic properties of the free base and the protonated 5,10,15,20-tetrakis(4-trimethyl-ammonio-phenyl)-porphine tetratosylate (TTMAPP) were studied in pure water, methanol, ethanol, 2-propanol, and their corresponding aqueous mixtures. The correlation of the empirical solvent polarity scale (E T) values of TTMAPP with composition of the solvents were analyzed by the solvent exchange model of Bosch and Roses to clarify the preferential solvation of the probe dyes in the binary mixed solvents. The solvation shell composition effects in preferential solvation of the solute dyes were investigated in terms of both solvent–solvent and solute–solvent interactions and also the local mole fraction of each solvent composition was calculated in the cybotactic region of the probe. The effective mole fraction variation may provide significant physicochemical insights in the microscopic and molecular level of interactions between TTMAPP species and the solvent components and, therefore, can be used to interpret the solvent effect on kinetics and thermodynamics of TTMAPP. 相似文献
4.
The deprotonation of 5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one (naringenin) was studied in aqueous solutions of ethanol and 0.1 mol L?1 sodium perchlorate at 25°C. The chemical species that contributed to deprotonation were evaluated together with their pure spectral characteristics and concentration profiles by some chemometric methods. The deprotonation constants assigned by pK 1, pK 2, and pK 3 were determined by multivariate curve analysis of spectral data at different pcH values. The pure spectral analysis concordant with the theoretical prediction of deprotonation constants indicates that the acidity of hydroxyl groups in naringenin decreases in the order: 7-OH, 4′-OH, 5-OH. The effects of the solvent on deprotonation were analysed in terms of the linear solvation energy relationships using the model of Kamlet, Abboud, and Taft (KAT). Multiple linear regressions were aimed towards correlating the deprotonation constants with the microscopic parameters containing hydrogen-bond acidity (α), dipolarity/polarisability (π*), and hydrogen-bond basicity (β). The most significant parameter was found to be the hydrogen-bond acidity of binary mixtures. 相似文献
5.
A new fused heterocyclic derivatives of pyrrole containing acetonitrile or cyanoacetonitrile moiety at 3-position is described by a one-pot multicomponent reaction. The reaction of dimedone, various aniline, aryl glyoxal with malononitrile/ethyl cyanoacetate/methyl cyanoacetate under mild conditions. The present method does not involve any hazardous organic solvents or catalysts. The significant features of this method are readily available starting materials, good yields, and easy purification. 相似文献
6.
Nahed Fakhfakh-Zouari Noomen Hmidet Anissa Haddar Safia Kanoun Moncef Nasri 《Applied biochemistry and biotechnology》2010,162(2):329-344
A keratinolytic enzyme (KerA1) secreted by a newly isolated Bacillus pumilus strain A1 cultivated in medium containing chicken feather meal was purified and characterized, and the gene was isolated
and sequenced. The molecular mass of the purified enzyme was estimated to be 34,000 Da by sodium dodecyl sulfate (SDS) polyacrylamide
gel electrophoresis and gel filtration. The optimum pH and temperature for the purified keratinase were 9.0 and 60 °C, respectively,
using keratin as a substrate. KerA1 showed a high stability towards nonionic surfactants. It was found to be relatively stable
toward the strong anionic surfactant (SDS). The deduced amino acid sequence of the keratinase KerA1 differs from both the
organic solvent tolerant protease of B. pumilus 115b and the dehairing protease of B. pumilus UN-31-C-42 by one and nine amino acids, respectively. These results suggest that this keratinase may be a useful alternative
and ecofriendly route for handling the abundant amount of waste feathers and for applications in detergent formulations. 相似文献
7.
Laila Manni Olfa Ghorbel-Bellaaj Kemel Jellouli Islem Younes Moncef Nasri 《Applied biochemistry and biotechnology》2010,162(2):345-357
Chitin is a polysaccharide found in abundance in the shell of crustaceans. In this study, the protease from Bacillus cereus SV1 was applied for chitin extraction from shrimp waste material of Metapenaeus monoceros. A high level of deproteinization 88.8% ± 0.4 was recorded with an E/S ratio of 20. The demineralization was completely achieved
within 6 h at room temperature in HCl 1.25 M, and the residual content of calcium in chitin was below 0.01%. 13C CP/MAS-NMR spectral analysis of chitin prepared by the enzymatic deproteinization of shrimp wastes was found to be similar
to that obtained by alkaline treatment and to the commercial α-chitin. The degree of N-acetylation, calculated from the spectrum,
was 89.5%. Chitin obtained by treatment with crude protease from B. cereus was converted to chitosan by N-deacetylation, and the antibacterial activity of chitosan solution against different bacteria
was investigated. Results showed that chitosan solution at 50 mg/mL markedly inhibited the growth of most Gram-negative and
Gram-positive bacteria tested. Furthermore, the antioxidant potential of the protein hydrolysates obtained during enzymatic
isolation of chitin was evaluated using various in vitro assays. All the samples exerted remarkable antioxidant activities. These results suggest that enzymatic deproteinization
of the shrimp shell wastes, using B. cereus SV1 protease, could be applicable to the chitin production process. 相似文献
8.
A new method, based on the concepts of matrix analysis as well as the learning capabilities of neural networks, for the analysis of nonlinear trusses under dynamic loading is presented. The method can be applied to static trusses too. While there have been attempts in the past to use neural networks to identify and model different structures based on data measured on structural response directly, the main feature and advantage of this new method is in its capability to model a nonlinear truss by assembling the data collected on the response of its members. The basics of the method are: (1) for each truss member, a neural network is trained to learn and simulate its load-response behavior, (2) the member neural networks are then assembled to build another neural network which can simulate the load-response behavior of the whole truss. Noticing test at member level is generally easier than at structure level, this can make the building of a neural network to simulate the response of the truss more affordable. Also this has potential application when it is hard to find a mathematical model from experimental data to describe the internal force vector for a truss, as well as identification and control of trusses where precise modeling of the structure is a key point to the success of the application. Prandtl Neural Network, developed recently by the authors for modeling of nonlinear hysteretic materials, has been improved and used in this study too. The improved version has been called Prandtl-2 Neural Network (PNN2) in this paper. The method has been applied to the static and dynamic analysis of a 3-bar and a 10-bar benchmark truss successfully, the results of which are reported in this paper. 相似文献
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10.
An efficient procedure for the synthesis of N‐alkyl‐2,5‐diaryl‐1,3‐dioxol‐4‐amines 3 via a one‐pot reaction of aromatic aldehydes 2 and alkyl isocyanides 1 at room temperature in good yields is described (Scheme 1, Table). 相似文献