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Stephanie M. Hart James L. Banal Maria A. Castellanos Larysa Markova Yuliia Vyborna Jeffrey Gorman Robert Hner Adam P. Willard Mark Bathe Gabriela S. Schlau-Cohen 《Chemical science》2022,13(44):13020
Strongly-coupled multichromophoric assemblies orchestrate the absorption, transport, and conversion of photonic energy in natural and synthetic systems. Programming these functionalities involves the production of materials in which chromophore placement is precisely controlled. DNA nanomaterials have emerged as a programmable scaffold that introduces the control necessary to select desired excitonic properties. While the ability to control photophysical processes, such as energy transport, has been established, similar control over photochemical processes, such as interchromophore charge transfer, has not been demonstrated in DNA. In particular, charge transfer requires the presence of close-range interchromophoric interactions, which have a particularly steep distance dependence, but are required for eventual energy conversion. Here, we report a DNA-chromophore platform in which long-range excitonic couplings and short-range charge-transfer couplings can be tailored. Using combinatorial screening, we discovered chromophore geometries that enhance or suppress photochemistry. We combined spectroscopic and computational results to establish the presence of symmetry-breaking charge transfer in DNA-scaffolded squaraines, which had not been previously achieved in these chromophores. Our results demonstrate that the geometric control introduced through the DNA can access otherwise inaccessible processes and program the evolution of excitonic states of molecular chromophores, opening up opportunities for designer photoactive materials for light harvesting and computation.DNA scaffolds enable the activation and suppression of photochemistry between strongly-coupled synthetic chromophores. 相似文献
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Alexander B. Rozhenko Yuliia S. Horbenko Andrii A. Kyrylchuk Evgenij V. Zarudnitskii Sergiy S. Mykhaylychenko Yuriy G. Shermolovich Andriy V. Grafov 《Molecules (Basel, Switzerland)》2022,27(5)
Recently, an unusual elongation of the C-S bond was observed experimentally for some sulfur-containing heterocycles. Using a superior ab initio (SCS-MP2/cc-pVTZ) level of theory, we showed that the phenomenon can be explained by a contribution of a donor–acceptor adduct of a carbene with an unsaturated ligand. One may achieve further elongation of the C-S bond, eventually turning it to a coordinate one, by increasing the stability of each part of the system as, e.g., in the utmost case of spiro adducts with Arduengo carbenes. The effect of carbene stability was quantified by employing the isodesmic reactions of carbene exchange. 相似文献
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Dr. Oleksandr Ivanenko Tamara Pavlenko Dr. Yuliia Pohorenko Dr. Valeriy Bykov 《欧洲无机化学杂志》2023,26(28):e202300295
The article presents the results of research on the hydrothermal synthesis of nanoscale oxide of cobalt and zirconium and their mixed oxide compositions. The synthesized samples have been characterized by the X-ray phase, scanning electron microscopy and nitrogen adsorption-desorption methods; the composition of the samples has been determined by chemical analysis methods, and their catalytic activity in the decomposition of hydrogen peroxide has been studied. It has been shown that during synthesis, highly dispersed cobalt and zirconium oxide are formed, and the sample of the composition (mol %): Co3O4(88)−ZrO2(12) has the highest specific surface area (181.2 m2/g) and the highest activity (K=6.18 ⋅ 10−2 s−1) against the decomposition of hydrogen peroxide. The increasing of the ZrO2 content in oxide compositions reduces their catalytic activity. The particle size in the synthesized samples is 7–38 nm. 相似文献
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Cover Picture: DNA‐Grafted Supramolecular Polymers: Helical Ribbon Structures Formed by Self‐Assembly of Pyrene–DNA Chimeric Oligomers (Angew. Chem. Int. Ed. 27/2015) 下载免费PDF全文
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Sergii Demchenko Roman Lesyk Oleh Yadlovskyi Johannes Zuegg Alysha G. Elliott Iryna Drapak Yuliia Fedchenkova Zinaida Suvorova Anatolii Demchenko 《Molecules (Basel, Switzerland)》2021,26(14)
A series of novel 3-aryl-5H-pyrrolo[1,2-a]imidazole and 5H-imidazo[1,2-a]azepine quaternary salts were synthesized in 58–85% yields via the reaction of 3-aryl-6, 7-dihydro-5H-pyrrolo[1,2-a]imidazoles or 3-aryl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepines and various alkylating reagents. All compounds were characterized by 1H NMR, 13C NMR, and LC-MS. The conducted screening studies of the in vitro antimicrobial activity of the new quaternary salts derivatives established that 15 of the 18 newly synthesized compounds show antibacterial and antifungal activity. Synthesized 3-(3,4-dichlorohenyl)-1-[(4-phenoxyphenylcarbamoyl)-methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride 6c possessed a broad activity spectrum towards Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, Acinetobacter baumannii, and Cryptococcus neoformans, with a high hemolytic activity against human red blood cells and cytotoxicity against HEK-293. However, compound 6c is characterized by a low in vivo toxicity in mice (LD50 > 2000 mg/kg). 相似文献
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Yevhen Havrylenko Yuliia Kholodniak Serhii Halko Oleksandr Vershkov Larysa Bondarenko Olena Suprun Oleksandr Miroshnyk Taras Shchur Mcisaw
rutek Marta Gackowska 《Entropy (Basel, Switzerland)》2021,23(5)
The paper addresses the problem of modeling a smooth contour interpolating a point series belonging to a curve containing no special points, which represents the original curve with specified accuracy. The contour is formed within the area of possible location of the parts of the interpolated curve along which the curvature values are monotonously increased or decreased. The absolute interpolation error of the point series is estimated by the width of the area of possible location of the curve. As a result of assigning each intermediate point, the location of two new sections of the curve that lie within the area of the corresponding output section is obtained. When the interpolation error becomes less than the given value, the area of location of the curve is considered to be formed, and the resulting point series is interpolated by a contour that lies within the area. The possibility to shape the contours with arcs of circles specified by characteristics is investigated. 相似文献