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11.
Deoxyisosikkimotoxin 8 has been synthesized by an inter-molecular Diels-Alder approach. 相似文献
12.
Zia‐ur‐ Rehman Muhammad Moazzam Naseer Afzal Shah Saqib Ali Auke Meetsma 《Heteroatom Chemistry》2015,26(2):123-133
A fascinating ligand, 4‐formylpiperazinium 4‐formylpiperazine‐1‐carbodithioate (L‐salt) has been reacted with two electronically and sterically different trimethyltin(IV) chloride and triphenyltin(IV) chloride. The complexes 1 and 2 were characterized by elemental analysis, spectroscopic techniques, and X‐ray single crystal analysis. The latter technique confirmed the polymeric and monomeric nature of 1 and 2 , respectively. Both 1 and 2 showed intriguing molecular packing properties in the solid state. However, the packing of 1 is more interesting and unique where one‐dimensional polymer chains self assemble in two‐over‐two saltire‐shaped fashion to provide an overall multilayered structure. The different behavior of L toward two different tin(IV) compounds can be attributed to different electronic and steric environments around metal center. 相似文献
13.
Azeema Munir Burcin Bozal-Palabiyik Gokcen Eren Afzal Shah Saqib Ali Noor Uddin Dr. Bengi Uslu 《Electroanalysis》2021,33(7):1761-1770
This paper demonstrates a Schiff base i. e. 5-(diethylamino)-2-((2,6-diethylphenylimino)methyl)phenol (5-DDMP) that was sensed by DNA biosensor. dsDNA was immobilized onto GCE modified with functionalized multi-walled carbon nanotubes to prepare a biosensor. The efficiency of dsDNA biosensor was determined and binding of 5-DDMP with dsDNA was searched by UV-vis spectrophotometry and differential pulse voltammetry. Molecular docking simulations between 5-DDMP and dsDNA were explored and as a result, a hydrogen bond and a π-π contact were observed between 5-DDMP and deoxyguanosine base (dG22) of the strand B, deoxyadenosine base (dA5) of the strand A, respectively. These studies could be useful for new anticancer drug design and development. 相似文献
14.
The Action of Peroxyl Radicals,Powerful Deleterious Reagents,Explains Why Neither Cholesterol Nor Saturated Fatty Acids Cause Atherogenesis and Age‐Related Diseases 下载免费PDF全文
Prof. Dr. Gerhard Spiteller Prof. Dr. Mohammad Afzal 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(46):14928-14945
Cells respond to alterations in their membrane structure by activating hydrolytic enzymes. Thus, polyunsaturated fatty acids (PUFAs) are liberated. Free PUFAs react with molecular oxygen to give lipid hydroperoxide molecules (LOOHs). In case of severe cell injury, this physiological reaction switches to the generation of lipid peroxide radicals (LOO.). These radicals can attack nearly all biomolecules such as lipids, carbohydrates, proteins, nucleic acids and enzymes, impairing their biological functions. Identical cell responses are triggered by manipulation of food, for example, heating/grilling and particularly homogenization, representing cell injury. Cholesterol as well as diets rich in saturated fat have been postulated to accelerate the risk of atherosclerosis while food rich in unsaturated fatty acids has been claimed to lower this risk. However, the fact is that LOO. radicals generated from PUFAs can oxidize cholesterol to toxic cholesterol oxides, simulating a reduction in cholesterol level. In this review it is shown how active LOO. radicals interact with biomolecules at a speed transcending usual molecule–molecule reactions by several orders of magnitude. Here, it is explained how functional groups are fundamentally transformed by an attack of LOO. with an obliteration of essential biomolecules leading to pathological conditions. A serious reconsideration of the health and diet guidelines is required. 相似文献
15.
Mohd Muddassir Abdullah Alarifi Mohd Afzal Ahmad Alowais Naaser A. Y. Abduh 《无机化学与普通化学杂志》2020,646(14):1205-1211
This article outlines the magnetic features of a new six–coordinate high-spin cobalt(II) complex cis-[CoII(tmphen)2(NCS)2] ( 1 ) achieved via the reactions of cobalt(II) thiocyanate with 3,4,7,8-tetramethyl-1,10-phenanthroline. The complex 1 was thoroughly characterized by different analytical and spectroscopic techniques and further confirmed by single X-ray crystal diffraction pattern. Complex 1 is a neutral molecule and adopt highly distorted six-coordinate CoN6 octahedral coordination sphere surrounded by two thiocyanate N atoms in cis locations and the equatorial plane is occupied by two imine N atoms from the two tmphen ligand while the remaining two imine N atoms reside in the axial positions. Magnetic susceptibility data of complex 1 revealed that the χΜT values decrease significantly to a value of 1.49 cm3 · K · mol–1 at 2.0 K on decreasing temperatures below 100 K, mainly ascribed to the significant spin–orbit coupling (SOC) of six-coordinate CoII ions. Furthermore, a field-dependence measurement was performed at 2 K, which shows a positive curvature up to 27 kOe, while it becomes linear up to 2.01 NμB, which authenticated the fact that only the lowest Kramers doublet of ground state is appreciably populated. 相似文献
16.
Malak Azmat Ali G. Murtaza Afzal Khan Eman Algrafy Asif Mahmood Shahid M. Ramay 《International journal of quantum chemistry》2020,120(19):e26357
Highly spin-polarized ferromagnetic materials are essential for efficient spintronic devices. Here, 100% spin-polarized compounds Rb2TaZ6 (Z = Cl, Br) studied via density functional theory are reported. These compounds show stability in the ferromagnetic phase with cubic symmetry and half metallic behavior, thereby exhibiting a nonzero direct band gap in the spin-down channel and zero band gap in the spin-up configuration. The Ta-d sates contribute mainly to the net magnetic moments as explained by the crystal field theory and density of states. High Curie temperatures of 960.35 and 1021.74 K for Ra2TaCl6 and Rb2TaBr6, along with maximum spin polarizability, make these compounds favorable for efficient spintronic applications. 相似文献
17.
Khoja Asif Hussain Anwar Mustafa Shakir Sehar Mehran Muhammad Taqi Mazhar Arslan Javed Adeel Amin Nor Aishah Saidina 《Research on Chemical Intermediates》2020,46(8):3817-3833
Research on Chemical Intermediates - The excess emission of greenhouse gases (GHGs) such as CO2 and CH4 is posing an acute threat to the environment, and efficient ways are being sought to utilize... 相似文献
18.
Shamsa Munir Afzal Shah Abdur Rauf Amin Badshah Hidayat Hussain Zia-ur-Rehman Zahoor Ahmad 《Comptes Rendus Chimie》2013,16(12):1140-1146
The present work reports the redox mechanism of 5-hydroxynaphthalene-1,4-dione (HND), commonly known as juglone, in buffered aqueous media having 50% of ethanol. HND followed different mechanistic routes depending upon the pH of the media and more than one pKa were evaluated from the changes in the slope of the Ep vs. pH plot. The change of pH from acidic to neutral conditions was found to switch the mechanism from CEC to EE mechanism. Pulse techniques were utilized to determine the number of electrons involved in the oxidation and/or the reduction step and to ensure the nature of the redox process. Based upon the obtained results, an electrode reaction mechanism was proposed. Computational studies of HND supported the experimental results. UV-Visible spectroscopy was also employed for the detailed characterization of the compound in a wide range of pH and for the determination of its pKa. 相似文献
19.
Using a multi‐objective evolutionary algorithm (MOEA) and enhanced surrogate approximations, the present study demonstrates the numerical analysis and optimization of staggered‐dimple channels. Two surrogates, the response surface approximation (RSA) model and the Kriging (KRG) model, are applied in light of the surrogate fidelity of the approximate analysis. An enhanced Pareto‐optimal front is obtained by performing local resampling of the Pareto‐optimal front, which provides relatively more accurate Pareto‐optimal solutions in the design space for each surrogate model. Three dimensionless design variables are selected, which are related to geometric parameters, namely, the channel height, dimple print diameter, dimple spacing, and dimple depth. Two objective functions are selected that are related to the heat transfer and pressure loss, respectively. The objective‐function values are numerically evaluated through Reynolds‐averaged Navier–Stokes analysis at the design points that are selected through the Latin hypercube sampling method. Using these numerical simulations two surrogates, viz, the RSA and Kriging models, are constructed for each objective function and a hybrid MOEA is applied to obtain the Pareto‐optimal front. For the particular implementation of surrogate models, it is observed that Pareto‐optimal predictions of the RSA model are better than those of the KRG model, whereas the KRG model predicts equally well at the off‐Pareto‐region (region away from the Pareto‐optimal solutions), which is not the case with the RSA model. The local resampling of the Pareto‐optimal front increases the fidelity of the approximate solutions near the Pareto‐optimal region. The ratios of the channel height to the dimple print diameter and of the dimple print diameter to the dimple pitch are found to be more sensitive along the Pareto‐optimal front than the ratio of the dimple depth to the print diameter. The decrease of the ratio of the channel height to the dimple diameter and the increase of the ratio of the dimple print diameter to the pitch lead to greater heat transfer at the expense of the pressure loss, whereas the ratio of the dimple depth to the print diameter is rather insensitive to Pareto‐optimal solutions. Pareto‐optimal solutions at higher values of the Nusselt number are associated with higher values of the pressure loss due to the increased recirculation, mixing of fluid and vorticity generation. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
20.
Suniya Shahzad Leyla Karadurmus Burcu Dogan‐Topal Tugba Taskin‐Tok Afzal Shah Sibel A. Ozkan 《Electroanalysis》2020,32(5):912-922
An electrochemical dsDNA nanobiosensor was fabricated using amino‐functionalized multi walled carbon nanotubes modified glassy carbon electrode (NH2fMWCNTs/GCE) for the sensitive detection of DNA bases and electrochemical monitoring of drug‐DNA interaction. The influence of functional groups on MWCNT was studied by MWCNT functionalized with NH2 (NH2fMWCNTs) and COOH (COOHfMWCNT) groups based on the signal of DNA bases. The modified electrodes were characterized by scanning electron microscopy. One layer of calf thymus double stranded deoxyribonucleic acid (ct‐dsDNA) was immobilized onto the NH2fMWCNTs/GCE (dsDNA/NH2fMWCNTs/GCE). The dsDNA/NH2fMWCNTs/GCE were used to investigate the interaction between the dsDNA and the anticancer drug gemcitabine by differential pulse voltammetry in acetate buffer of pH 4.70. For the confirmation of interaction, the lowering in intensity of the current signals of guanine and adenine was considered as an indicator. Electrochemical impedance spectroscopy studies were performed for the comparison of the modified surfaces. In order to define and visualize the interaction mechanism between gemcitabine and dsDNA/NH2fMWCNTs/GCE at the molecular level, in silico methods including docking and molecular dynamics simulations were employed. 相似文献