Research on Chemical Intermediates - We report robust green synthesis of novel 1,2,3-triazole-based sulfonamides bearing different motifs such as fluorine under click conditions in presence of a... 相似文献
Molecular dynamics and MM_GBSA energy calculations on various zinc finger proteins containing three and four fingers bound to their target DNA gave insights into the role of each finger in the DNA binding process as part of the protein structure. The wild type Zif 268 (PDB code: 1AAY) gave a ΔG value of ??76.1 (14) kcal/mol. Zinc fingers ZF1, ZF2 and ZF3 were mutated in one experiment and in another experiment one finger was cut and the rest of the protein was studied for binding. The ΔΔG values for the Zinc Finger protein with both ZF1 and ZF2 mutated was +?80 kcal/mol, while mutating only ZF1 the ΔΔG value was +?52 kcal/mol (relative to the wild type). Cutting ZF3 and studying the protein consisting only of ZF1 linked to ZF2 gave a ΔΔG value of +?68 kcal/mol. Upon cutting ZF1, the resulting ZF2 linked to ZF3 protein gave a ΔΔG value of +?41 kcal/mol. The above results shed light on the importance of each finger in the binding process, especially the role of ZF1 as the anchoring finger followed in importance by ZF2 and ZF3. The energy difference between the binding of the wild type protein Zif268 (1AAY) and that for individual finger binding to DNA according to the formula: ΔΔGlinkers, otherstructuralfactors?=?ΔGzif268???(ΔGF1+F2+F3) gave a value?=???44.5 kcal/mol. This stabilization can be attributed to the contribution of linkers and other structural factors in the intact protein in the DNA binding process. DNA binding energies of variant proteins of the wild type Zif268 which differ in their ZF1 amino acid sequence gave evidence of a good relationship between binding energy and recognition and specificity, this finding confirms the reported vital role of ZF1 in the ZF protein scanning and anchoring to the target DNA sequence. The role of hydrogen bonds in both specific and nonspecific amino acid-DNA contacts is discussed in relation to mutations. The binding energies of variant Zinc Finger proteins confirmed the role of ZF1 in the recognition, specificity and anchoring of the zinc finger protein to DNA. 相似文献
In this paper, at the first, new correlations were proposed to predict the rheological behavior of MWCNTs–SiO2/EG–water non-Newtonian hybrid nanofluid using different sets of experimental data for the viscosity, consistency and power law indices. Then, based on minimum prediction errors, two optimal artificial neural network models (ANNs) were considered to forecast the rheological behavior of the non-Newtonian hybrid nanofluid. One hundred and ninety-eight experimental data were employed for predicting viscosity (Model I). Two sets of forty-two experimental data also were considered to predict the consistency and power law indices (Model II). The data sets were divided to training and test sets which contained respectively 80 and 20% of data points. Comparisons between the correlations and ANN models showed that ANN models were much more accurate than proposed correlations. Moreover, it was found that the neural network is a powerful instrument in establishing the relationship between a large numbers of experimental data. Thus, this paper confirmed that the neural network is a reliable method for predicting the rheological behavior of non-Newtonian nanofluids in different models.
The inexpensive natural phosphate, both alone and doped with potassium fluoride, is a new basic catalyst for the synthesis of α,β-unsaturated arylsulfones. Activation by water and benzyltriethylammonium chloride has also been investigated. When using an ammonium salt, natural phosphate doped with potassium fluoride is an excellent solid support for the synthesis of α,β-unsaturated arylsulfones, leading to excellent yields in a few minutes. 相似文献
The reaction of picryl benzoate derivatives 1a–g with aniline in methanol proceeds through CO? O and Ar? O bond cleavage pathways. Furthermore, the reactivity of these esters toward anilinolysis is correlated to the energy gap between highest occupied molecular orbital aniline and lowest unoccupied molecular orbital of each ester. The regioselectivity of acyl? oxygen versus aryl? oxygen cleavage is also discussed. The overall rate constants ktot split into kCO? O (the rate constant of acyl‐oxygen cleavage) and kAr? O (rate constant of aryl‐oxygen cleavage). The CO? O bond cleavage advances through a stepwise mechanism in which the formation of the tetrahedral intermediate is the rate‐determining step. The Ar? O bond cleavage continues through a SNAr mechanism in which the departure of the leaving group from the Meisenheimer complex occurs rapidly after its formation in the rate‐determining step. 相似文献
The crossed product of ‐algebras by groups, groupoids and semigroups are well studied. In this paper we introduce and study the crossed product of ‐algebras by (locally compact) hypergroups. We calculate the crossed products by finite hypergroups of orders 2 and 3. 相似文献
Cell separation and sorting are essential steps in cell biology research and in many diagnostic and therapeutic methods. Recently,
there has been interest in methods which avoid the use of biochemical labels; numerous intrinsic biomarkers have been explored
to identify cells including size, electrical polarizability, and hydrodynamic properties. This review highlights microfluidic
techniques used for label-free discrimination and fractionation of cell populations. Microfluidic systems have been adopted
to precisely handle single cells and interface with other tools for biochemical analysis. We analyzed many of these techniques,
detailing their mode of separation, while concentrating on recent developments and evaluating their prospects for application.
Furthermore, this was done from a perspective where inertial effects are considered important and general performance metrics
were proposed which would ease comparison of reported technologies. Lastly, we assess the current state of these technologies
and suggest directions which may make them more accessible. 相似文献
Ukrainian Mathematical Journal - We propose an S-version of Nakayama’s lemma. Let R be a commutative ring, let S be a multiplicative subset of R, and let M be an S-finite R-module. Also let I... 相似文献