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91.
92.
Olga Mezentseva Galina Slepchenko Victor Filimonov Elena Mikheeva Galina Arbit 《Electroanalysis》2019,31(8):1477-1483
The electrochemical behavior of a number of benzoyl barbiturates was studied using a glassy carbon electrode (GCE). The kinetics of the electrode process is determined, the contribution of physical adsorption to the electrochemical process is estimated, and the mechanism of the possible electrochemical reaction is proposed. It is shown that the electrochemical reduction potentials of benzoyl phenobarbital derivatives are determined by the LUMO energies, calculated by the B3LYP 6‐311+G method. It is established that the process is quasi‐reversible, complicated by adverse reactions. The influence of halogen type and its position in the benzoyl residue of the studied substances on the analytical signal is established. The effective values of the dissociation constants of various forms of benzoyl derivatives were calculated using the example of halonal, for which the values 3.16 ? 10?8 and 6.31 ? 10?12, respectively, were found. 相似文献
93.
Dr. Antony J. Stasyuk Dr. Olga A. Stasyuk Prof. Dr. Miquel Solà Prof. Dr. Alexander A. Voityuk 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(10):2577-2585
Porphyrin–fullerene dyads are promising candidates for organic photovoltaic devices. The electron-transfer (ET) properties of the molecular devices depend significantly on the mutual position of the donor and acceptor. Recently, a new type of molecular isomerism (akamptisomerism) has been discovered. In the present study, we explore how photoinduced ET can be modulated by passing from one akamptisomer to another. To this aim, four akamptisomers of the quinoxalinoporphyrin–[60]fullerene complex are selected for computational study. The most striking finding is that, depending on the isomer, the porphyrin unit in the dyad can act as either electron donor or electron acceptor. Thus, the stereoisomeric diversity allows one to change the direction of ET between the porphyrin and fullerene moieties. To understand the effect of akamptisomerism on the photoinduced ET processes, a detailed analysis of initial and final states involved in the ET is performed. The computed rate for charge separation is estimated to be in the region of 1–10 ns−1. The formation of a long-living quinoxalinoporphyrin anion radical species is predicted. 相似文献
94.
Grigor’ev Arthur A. Kayukov Yakov S. Nikiforova Anastasiya L. Karpov Sergey V. Shchegravina Ekaterina S. Kayukova Olga V. Tafeenko Victor A. 《Chemistry of Heterocyclic Compounds》2019,55(2):167-171
Chemistry of Heterocyclic Compounds - 4-Acyl-2-amino-6-chloropyridine-3,5-dicarbonitriles underwent heterocyclization in the presence of ammonia in aqueous dioxane medium, involving the... 相似文献
95.
Dr. Alexey S. Kiryutin Dr. Grit Sauer Dr. Daniel Tietze Martin Brodrecht Stephan Knecht Prof. Dr. Alexandra V. Yurkovskaya Prof. Dr. Konstantin L. Ivanov Dr. Olga Avrutina Prof. Dr. Harald Kolmar Prof. Dr. Gerd Buntkowsky 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(16):4025-4030
Two-dimensional NMR spectroscopy is one of the most important spectroscopic tools for the investigation of biological macromolecules. However, due to the low sensitivity of NMR spectroscopy, it takes usually from several minutes to many hours to record such spectra. Here, the possibility of detecting a bioactive derivative of the sunflower trypsin inhibitor-1 (SFTI-1), a tetradecapeptide, by combining parahydrogen-induced polarization (PHIP) and ultrafast 2D NMR spectroscopy is shown. The PHIP activity of the inhibitor was achieved by labeling with O-propargyl-l -tyrosine. In 1D PHIP experiments a signal enhancement of a factor of approximately 1200 compared to standard NMR was found. This enhancement permits measurement of 2D NMR correlation spectra of low-concentrated SFTI-1 in less than 10 seconds, employing ultrafast single-scan 2D NMR detection. As experimental examples PHIP-assisted ultrafast single-scan TOCSY spectra of SFTI-1 are shown. 相似文献
96.
Design of pincer complexes based on (methylsulfanyl)acetic/propionic acid amides with ancillary S‐ and N‐donors as potential catalysts and cytotoxic agents 下载免费PDF全文
Svetlana G. Churusova Diana V. Aleksanyan Andrei A. Vasil'ev Ekaterina Yu. Rybalkina Olga Yu. Susova Zinaida S. Klemenkova Rinat R. Aysin Yulia V. Nelyubina Vladimir A. Kozlov 《应用有机金属化学》2018,32(6)
Pincer complexes featuring readily tunable tridentate ligand frameworks comprise one of the most actively studied classes of organometallic and metal–organic compounds and find extensive use in catalysis, organic synthesis, materials science, and other fields of chemistry and allied disciplines. Currently growing attention is devoted to non‐classical ligand scaffolds, such as functionalized carboxamides, which offer multiple options for directed structural modifications. In this study, the reactions of (methylsulfanyl)acetyl and propanoyl chlorides with 2‐(aminomethyl)pyridine, 2‐(2‐aminoethyl)pyridine, 8‐aminoquinoline and 2‐(diphenylthiophosphoryl)aniline afford a series of new pincer‐type ligands based on functionalized carboxamides. The ligands obtained readily undergo direct cyclopalladation under the action of PdCl2(NCPh)2 in dichloromethane at room temperature, resulting in Pd(II) pincer complexes with N,N,S‐ and S,N,S‐donor sets. Importantly, some of the cyclopalladated derivatives can also be produced efficiently under solvent‐free conditions according to the approach recently developed by our group. The complexes obtained have been tested for cytotoxicity against several human cancer cell lines and catalytic activity in the model Suzuki reaction. The results have been compared to those for the related Pd(II) pincer complexes to define the main structure–activity relationships and to outline the most promising structures for further investigations. 相似文献
97.
98.
Lidiya I. Kursheva Anatoly M. Il'in Elvira S. Batyeva Igor A. Litvinov Olga N. Kataeva Aidar T. Gubaidullin 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1)
Abstract The series of copper (I) complexes with thiophosphite ligands was prepared and examined to determine the factors that affect the coordination mode of the ligand with metal. 相似文献
99.
Lidiya I. Kursheva Olga N. Kataeva Dmitrii B. Krivolapov Elvira S. Batyeva Oleg G. Sinyashin 《Phosphorus, sulfur, and silicon and the related elements》2013,188(5-6):1425-1426
Abstract The synthesis and coordination chemistry of ligands bearing PS donor groups in complexes with copper(I) halides, in particular thiophosphites, thiophosphonites, and thiophosphinites, are described. 相似文献
100.