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排序方式: 共有58条查询结果,搜索用时 31 毫秒
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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
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Jaworski Jan S. Bankiewicz Barbara Krygowski T. Marek Palusiak Marcin Stasyuk Olga A. Szatylowicz Halina 《Structural chemistry》2016,27(4):1279-1289
Structural Chemistry - Intermolecular interactions between molecules of protic solvents (water, methanol, formic acid, formamide, methylamine and ammonia) and monatomic ions (Li+, Na+, K+,... 相似文献
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Galina Gayda Nataliya Stasyuk Andriy Zakalskiy Mykhailo Gonchar Evgeny Katz 《Current Opinion in Electrochemistry》2022
Since l-Arginine (Arg) is a semi-essential amino acid for humans, its adequate amount must be consumed in the diet to prevent certain negative consequences related to insufficient synthesis of this amino acid under specific physiological conditions. Arg metabolism results in the production of a biochemically diverse range of such products as urea, some amino acids, creatine, polyamines, nitric oxide, etc. Arg, an important biomarker in clinical diagnostics, is also used for prevention/treatment of different diseases, including cancer and COVID-19. Furthermore, it serves as an indicator of food and beverages quality.A variety of optic and electrochemical methods for Arg determination have already been suggested. The biosensor systems based on the enzymes of Arg metabolism were shown to be the most promising tools for Arg assay. This review focuses on the peculiarities of electrochemical biosensors for Arg assay based on the use of Arg-degrading enzymes and on the analysis of their advantages as compared to other approaches. 相似文献
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We obtain exact order estimates for the best M-term trigonometric approximations of the classes B
p,
of functions of many variables in the space L
q, 1 < p < q < , q > 2. 相似文献
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V. Z. Stankevich B. M. Stasyuk O. M. Khai 《Journal of Applied Mechanics and Technical Physics》2005,46(1):124-128
The three-dimensional dynamic problem of coplanar circular cracks in an elastic half-space with a clamped boundary condition is considered. The crack faces are subjected to harmonic loads. The problem is reduced to a system of two-dimensional boundary integral equations of the type of the Helmholtz potential for unknown discontinuities in the displacements of the opposite faces of the cracks. The stress intensity factors at the crack contours are obtained and discussed.Translated from Prikladnaya Mekhanika i Tekhnicheskaya Fizika, Vol. 46, No. 1, pp. 153–159, January–February, 2005 相似文献
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Anton J. Stasyuk Olga A. Stasyuk Miquel Solà Alexander A. Voityuk 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(47):10896-10902
A triquinoline cationic moiety (TQ⋅H+) has recently been designed as a novel molecular unit for supramolecular chemistry. In addition to some useful features, TQ⋅H+ has strong electron-acceptor properties, which renders the molecular cation a unique element in nanochemistry. TQ⋅H+ is found to form complexes with coronene (COR) and cycloparaphenylene (CPP). In this work, we report a computational study of photoinduced electron transfer in supramolecular complexes TQ⋅H+-COR, TQ⋅H+⊂[12]CPP and (TQ⋅H+-COR)⊂[12]CPP. The electron-transfer rates are estimated by using the semi-classical approach. The results are compared with the data previously obtained for a structurally similar inclusion complex Li+@C60⊂[10]CPP. In particular, we found a red solvatochromic shift for charge-shift bands in the TQ⋅H+-complexes unlike a blueshift showed by Li+@C60⊂[10]CPP. This distinction is explored in terms of electronic and structural features of the systems. 相似文献