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21.
22.
Ali Taha Viktor Gutmann Wolfgang Linert 《Monatshefte für Chemie / Chemical Monthly》1991,122(5):327-339
Summary The solvatochromic and thermochromic behaviour of a series of mixed Ni(II) complexes with unsubstituted and substituted -diketones and diamines in the solvents 1,2-dichloroethane (DCE), acetonitrile (An), acetone (AC),n-butanol (n-BuOH), formamide (FA), N,N-dimethylformamide (DMF), dimethylsulfoxide (DMSO) and pyridine (PY) has been studied and characterized on the basis of electronic spectra. Spectrophotometric methods have been used to evaluate equilibrium constants and their enthalpic and entropic terms for the formation of Ni(-dik)(diam)L
+ and Ni(-dik)(diam)L
2
+
. Increasing donor strength of the donor-solvents (L) and (or) increasing electronwithdrawing parameters of the substituents at the -diketone and the diamine ligands lead to increasing formation constants, paralleled by relative increase in the stability of the five-coordinated species Ni(-dik)(diam)L
+. The results are discussed in terms of the extended donor-acceptor concept.On leave of absence from the Faculty of Education, Ain Schams University, Roxy, Cairo, Egypt 相似文献
23.
Lin JF Militzer B Struzhkin VV Gregoryanz E Hemley RJ Mao HK 《The Journal of chemical physics》2004,121(17):8423-8427
The melting curve of H(2)O has been measured by in situ Raman spectroscopy in an externally heated diamond anvil cell up to 22 GPa and 900 K. The Raman-active OH-stretching bands and the translational modes of H(2)O as well as optical observations are used to directly and reliably detect melting in ice VII. The observed melting temperatures are higher than previously reported x-ray measurements and significantly lower than recent laser-heating determinations. However, our results are in accord with earlier optical determinations. The frequencies and intensities of the OH-stretching peaks change significantly across the melting line while the translational mode disappears altogether in the liquid phase. The observed OH-stretching bands of liquid water at high pressure are very similar to those obtained in shock-wave Raman measurements. 相似文献
24.
Alexey Sulimov Danil Kutov Ivan Ilin Yibei Xiao Sheng Jiang Vladimir Sulimov 《Molecules (Basel, Switzerland)》2022,27(9)
The COVID-19 pandemic is still affecting many people worldwide and causing a heavy burden to global health. To eliminate the disease, SARS-CoV-2, the virus responsible for the pandemic, can be targeted in several ways. One of them is to inhibit the 2′-O-methyltransferase (nsp16) enzyme that is crucial for effective translation of viral RNA and virus replication. For methylation of substrates, nsp16 utilizes S-adenosyl methionine (SAM). Binding of a small molecule in the protein site where SAM binds can disrupt the synthesis of viral proteins and, as a result, the replication of the virus. Here, we performed high-throughput docking into the SAM-binding site of nsp16 for almost 40 thousand structures, prepared for compounds from three libraries: Enamine Coronavirus Library, Enamine Nucleoside Mimetics Library, and Chemdiv Nucleoside Analogue Library. For the top scoring ligands, semi-empirical quantum-chemical calculations were performed, to better estimate protein–ligand binding enthalpy. Relying upon the calculated binding energies and predicted docking poses, we selected 21 compounds for experimental testing. 相似文献
25.
26.
Evgeny V. Shchegol'kov Anna E. Ivanova Yanina V. Burgart Viktor I. Saloutin 《Journal of heterocyclic chemistry》2013,50(Z1):E80-E86
Azo coupling of 1,3‐dicarbonyl compounds with tetrazolyl‐5‐diazonium chloride is used to develop a convenient one‐step procedure for the synthesis of 4,7‐dihydrotetrazolo[5,1‐c][1,2,4]triazines. In contrast to nonfluorinated analogs, 7‐hydroxy‐7‐polyfluoroalkyl‐4,7‐dihydrotetrazolo[5,1‐c][1,2,4]triazines undergo a ring‐chain isomerism resulting from the cleavage at the C7―N7a bond. A distinctive feature of nonfluorinated 4,7‐dihydrotetrazolo[5,1‐c][1,2,4]triazines is the possibility to dehydration, which is accompanied by an azide rearrangement due to the tetrazole ring cleavage with the formation of tetrazolo[1,5‐b][1,2,4]triazines. 相似文献
27.
Timur I. Savchenko Olexiy V. Silin Sergiy M. Kovalenko Vladymir I. Musatov Viktor M. Nikitchenko 《合成通讯》2013,43(8):1321-1330
The interaction of 3‐phenyl‐1H‐pyrazolo[4.3‐c]quinoline with alkylating agents in the presence of NaH leads mainly to N1‐substituted derivatives. The regioselectivity of the reaction has been studied using AM1 semi‐empirical calculations in the isolated molecule approximation. 相似文献
28.
Mekhman S. Yusubov Elena N. Tveryakova Elena A. Krasnokutskaya Irina A. Perederyna Viktor V. Zhdankin 《合成通讯》2013,43(8):1259-1265
A simple and environmentally safe general method of iodination of aromatic substrates under sovent‐free conditions using the I2/AgNO3 combination in a solid state is reported. Both activated and deactivated aromatic compounds afford the respective aryl iodides in generally high yields (80–90%). 相似文献
29.
Ivan N. Bardasov Anastasiya U. Alekseeva Denis L. Mihailov Oleg V. Ershov Oleg E. Nasakin Viktor A. Tafeenko 《Tetrahedron letters》2014
The synthesis of 2-(dicyanomethylene)-1,2-dihydropyridine derivatives from the reactions of arylmethylidene derivatives of malononitrile dimers with 1,3-dicarbonyl compounds is described. 相似文献