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Maksym S. Kazunin Oleksii Yu. Voskoboynik Inna S. Nosulenko Galina G. Berest Sergiy V. Kholodniak Boris O. Pryymenko Sergiy I. Kovalenko 《Journal of heterocyclic chemistry》2020,57(1):268-280
The synthesis of 6-(2-hydroxy-2-aryl (heteryl)ethyl)-1-methylpteridine-2,4,7(1H,3H,8H)-triones by the reduction of the corresponding ketones and the peculiarities of conversion of the synthesized alcohols to (E)-1-methyl-6-(2-aryl (heteryl)ethenyl)pteridine-2,4,7(1H,3H,8H)-triones was reported. The mechanism of monomolecular elimination that occurred in the presence of hydrogen halides was discussed, namely, the competitive formation of an energy-efficient conjugated system by deprotonation of a stable benzyl-type carbocation. Alternative synthesis methods of pteridine-2,4,7(1H,3H,8H)-triones were developed. Abovementioned approach involved [4+2]-cyclocondensation of 1-methyl-5,6-diaminouracil to 2-oxo-4-R-but-3-enoic acids and Knoevenagel condensation of 1,6-dimethylpteridine-2,4,7(1H,3H,8H)-trione with aromatic aldehydes. The antiradical, antimicrobial, and antifungal activities were studied for the synthesized compounds. 相似文献
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Dr. Sergiy V. Zasukha Prof. Dr. Vadim M. Timoshenko Prof. Dr. Andrey A. Tolmachev Valentyna O. Pivnytska Oleksii Gavrylenko Dr. Serhii Zhersh Prof. Dr. Yuriy Shermolovich Dr. Oleksandr O. Grygorenko 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(28):6928-6940
Two novel solid reagents—1-sulfonimidoyl- and 1-sulfamimidoyl-3-methylimidazolium derivatives—for the synthesis of sulfonimidamides and imidosulfuric diamides, respectively, were developed. It is shown that these reagents are very effective in substitution reactions with various N- and O-nucleophiles; therefore, they significantly extend the accessibility to the chemical space covered by organosulfur(VI) compounds with S=N bonds. In addition, previously unknown imidosulfuric diamides with free imino nitrogen groups were prepared, and their physical and chemical properties were characterized (including molecular geometry, pKa, Log P, microsomal stability, and reactivity towards typical electrophiles). Similar to other organosulfur(VI) derivatives with S=N bonds, these compounds can be considered as promising bioisosteres of amides, ureas, or sulfonamides. 相似文献
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Corrugated pipes are commonly used because of their local rigidity combined with global flexibility. The flow through such a pipe can induce strong whistling tones, which is an environmental nuisance and can be a threat to the mechanical integrity of the system. This paper considers the use of a composite pipe: a shorter corrugated pipe segment embedded between smooth pipe segments. Such a pipe retains some flexibility, while the acoustical damping in the smooth pipe reduces whistling tones. Whistling is the result of coherent vortex shedding at the cavities in the wall. This vortex shedding is synchronized by longitudinal acoustic waves traveling along the pipe. The acoustic waves trigger the vortex shedding, which reinforces the acoustic field for a critical range of the Strouhal number values. A linear theory for plane wave propagation and the sound production is proposed, which allows a prediction of the Mach number at the threshold of whistling in such pipes. A semi-empirical approach is chosen to determine the sound source in this model. This source corresponds to a fluctuating force acting on the fluid as a consequence of the vortex shedding. The functional form of the Strouhal number dependency of the dimensionless sound source amplitude is based on numerical simulations. The magnitude of the source and the Strouhal number range in which it can drive whistling are determined by matching the model to results for a specific corrugated pipe segment length. This semi-empirical source model is then applied to composite pipes with different corrugated segment lengths. In addition, the effect of inlet acoustical convective losses due to flow separation is considered. The Mach number at the threshold of whistling is predicted within a factor 2. 相似文献
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Oleksii M. Antypenko Sergiy I. Kovalenko Oleksandr V. Karpenko Vladyslav O. Nikitin Lyudmyla M. Antypenko 《Helvetica chimica acta》2016,99(8):621-631
Considering the frightening high level of mortality from cancer, studies of anticancer agents are vital nowadays. The 24 thioderivatives of 2‐alkyl(aryl)‐quinazolin‐4(3H)‐thiones and 20 thioderivatives of [1,2,4]triazolo[1,5‐c]quinazoline‐2‐thiones were synthesized and evaluated for preliminary in vitro anticancer activity with subsequent in silico QSAR analysis. The substance 18 had the best results inhibiting growth of eight cancer cell lines: CCRF‐CEM of leukemia; SF‐539, SNB‐75, and U251 of CNS cancer; 786, RXF393, and UO‐31 of renal cancer; and MDA‐MB‐231/ATCC of breast cancer (?31.50 – 47.41% of cell growth) with low procancer effect. Calculated QSAR‐models for CCRF‐CEM of leukemia, T‐47D and HS 578T of breast cancer, and mean cell growth demonstrated good rate of anticancer activity prediction (r2 = 0.7 – 0.8, = 0.5 – 0.7). 相似文献
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Water‐Stable Zirconium‐Based Metal–Organic Framework Material with High‐Surface Area and Gas‐Storage Capacities 下载免费PDF全文
Dr. Oleksii V. Gutov Dr. Wojciech Bury Dr. Diego A. Gomez‐Gualdron Dr. Vaiva Krungleviciute Dr. David Fairen‐Jimenez Dr. Joseph E. Mondloch Dr. Amy A. Sarjeant Salih S. Al‐Juaid Prof. Dr. Randall Q. Snurr Prof. Dr. Joseph T. Hupp Prof. Dr. Taner Yildirim Prof. Dr. Omar K. Farha 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(39):12389-12393
We designed, synthesized, and characterized a new Zr‐based metal–organic framework material, NU‐1100 , with a pore volume of 1.53 ccg?1 and Brunauer–Emmett–Teller (BET) surface area of 4020 m2g?1; to our knowledge, currently the highest published for Zr‐based MOFs. CH4/CO2/H2 adsorption isotherms were obtained over a broad range of pressures and temperatures and are in excellent agreement with the computational predictions. The total hydrogen adsorption at 65 bar and 77 K is 0.092 g g?1, which corresponds to 43 g L?1. The volumetric and gravimetric methane‐storage capacities at 65 bar and 298 K are approximately 180 vSTP/v and 0.27 g g?1, respectively. 相似文献
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Oleksii Zozulia Ivan V. Korendovych 《Angewandte Chemie (International ed. in English)》2020,59(21):8108-8112
The self‐assembly of short peptides gives rise to versatile nanoassemblies capable of promoting efficient catalysis. We have semi‐rationally designed a series of seven‐residue peptides that form hemin‐binding catalytic amyloids to facilitate enantioselective cyclopropanation with efficiencies that rival those of engineered hemin proteins. These results demonstrate that: 1) Catalytic amyloids can bind complex metallocofactors to promote practically important multisubstrate transformations. 2) Even essentially flat surfaces of amyloid assemblies can impart a substantial degree of enantioselectivity without the need for extensive optimization. 3) The ease of peptide preparation allows for straightforward incorporation of unnatural amino acids and the preparation of peptides made from d ‐amino acids with complete reversal of enantioselectivity. 相似文献
7.
Kovalenko OO Brusylovets OA Kinzhybalo V Lis T Brusilovets AI 《Dalton transactions (Cambridge, England : 2003)》2011,40(18):4814-4817
The low-coordinate phosphorus compounds (Me(3)Si)(2)N-P=NSiMe(3), (Me(3)Si)(2)N-P(=S)=N(t)Bu and (Me(3)Si)(2)N-P(=NSiMe(3))(2) react with ((i)PrO)(3)M≡M(O(i)Pr)(3) (M = Mo, W) to form four- and five-membered metallacycles with intact endocyclic or exocyclic M≡M triple bonds. The first four-membered planar metallacycles, containing an M≡M triple bond were obtained in reaction with (Me(3)Si)(2)N-P=NSiMe(3). 相似文献
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Dmitry Dibchak Mariya Snisarenko Artem Mishuk Oleh Shablykin Lina Bortnichuk Oleksii Klymenko-Ulianov Yurii Kheylik Iryna V. Sadkova Henry S. Rzepa Pavel K. Mykhailiuk 《Angewandte Chemie (International ed. in English)》2023,62(39):e202304246
A general approach to 3-azabicyclo[3.1.1]heptanes by reduction of spirocyclic oxetanyl nitriles was developed. The mechanism, scope, and scalability of this transformation were studied. The core was incorporated into the structure of the antihistamine drug Rupatidine instead of the pyridine ring, which led to a dramatic improvement in physicochemical properties. 相似文献
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