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End-group differentiating ozonolysis of furocoumarins
RSC advances. 2014. Vol. 4. No. 106. P. 61277-61280.
Ozonolysis of furocoumarins followed by reductive work-up yields
not only common symmetrical dialdehydes, but also o-for-
mylumbelliferones with moderate-to-high yields. Simultaneous
formation of both products accounts for the transformation of
carbonyl oxides – products of primary ozonide ring opening
Omelchuk O., Malyshev V., Medvedev M. et al., Journal of Organic Chemistry 2021 Vol. 86 No. 12 P. 7975-7986
Oligomycin A is a potent antibiotic and antitumor agent. However, its applications are restricted by its high toxicity and low bioavailability. In this study, we obtained Oligomycin A Diels− Alder adducts with benzoquinone and N-benzylmaleimide and determined their absolute configurations by combining 1H and ROESY NMR data with molecular mechanics conformational analysis and quantum chemical ...
Added: September 6, 2021
Titov I., Stroylov V., Rusina P. V. et al., Russian Chemical Reviews 2021 Vol. 90 No. 7 P. 831-867
The review aims to present a classification and applicability analysis of methods for preliminary molecular modelling for targeted organic, catalytic and biocatalytic synthesis. The following three main approaches are considered as a primary classification of the methods: modelling of the target – ligand coordination without structural information on both the target and the resulting complex; ...
Added: September 25, 2021
Varizhuk A., Zatsepin T., Belyaev E. et al., Bioorganic and Medicinal Chemistry 2017 Vol. 25 No. 14 P. 3597-3605
Nowadays modified oligonucleotides are widely used in diagnostics and as novel therapeutics. Introduction of modified or unnatural residues into oligonucleotides allows fine tuning of their binding properties to complementary nucleic acids and leads to improved stability both in vitro and in vivo. Previously it was demonstrated that insertion of phenoxazine nucleotides with various groups in ...
Added: March 14, 2018
Goncharuk M., Baleeva N., Nolde Dmitry E. et al., Communications Biology 2022 Vol. 5 Article 706
“Fluorescence-Activating and absorption-Shifting Tag” (FAST) is a well-studied fluorogenactivating
protein with high brightness and low size, able to activate a wide range of
fluorogens. This makes FAST a promising target for both protein and fluorogen optimization.
Here, we describe the structure-based rational design of the enhanced FAST mutants,
optimized for the N871b fluorogen. Using the spatial structure of the ...
Added: August 1, 2022
Svitanko I., Стахеев А. Ю., Рассолов А. В. et al., Mendeleev Communications 2017 Vol. 27 No. 6 P. 615-617
The hydrogenation of diphenylacetylene (DPA) on palladium–silver catalysts with a single-atom structure was investigated. It has been shown experimentally that the reaction rate of alkene to alkane hydrogenation is substantially lower than the rate of DPA semi-hydrogenation. The kinetic barriers of all stages of hydrogenation were calculated by the DFT method. ...
Added: October 26, 2018
Yaremenko I., Belyakova Y., Radulov P. et al., Journal of Organic Chemistry 2023 Vol. 88 No. 19 P. 13782-13795
Relief of stereoelectronic frustration drives the acid-catalyzed three-component condensation of β,δ′-triketones with hydrazides and H2O2 to the direction where both nucleophiles and all three electrophilic carbons are involved in the formation of a tricyclic sp3-rich ring system that includes four heteroatoms. The otherwise inaccessible tricyclic N-substituted aminoperoxides are prepared rapidly and selectively from relatively simple ...
Added: October 24, 2023
Medvedev M., Salikov R., Trainov K. et al., Dyes and Pigments 2019 Vol. 161 P. 500-509
Two approaches for the synthesis of D-A chromophores containing arylhydrazonocyclopentadiene acceptor moieties were developed. The first approach includes the decarboxylative azo coupling reaction between penta(methoxycarbonyl)cyclopentadienyl potassium or sodium and aryldiazonium salts to give products containing four ester groups at the acceptor moiety. The second one includes the reaction of 1,3-dimethoxycarbonyl-4,5-diphenylcyclopentadienone with arylhydrazine hydrochlorides into arylhydrazonocyclopentadienes ...
Added: October 9, 2019
Losev T., Gerasimov I., Panova M. et al., Journal of Chemical Information and Modeling 2023 Vol. 63 No. 4 P. 1239-1248
Bioisosteres are molecules that differ in substituents but still have very similar shapes. Bioisosteric replacements are ubiquitous in modern drug design, where they are used to alter metabolism, change bioavailability, or modify activity of the lead compound. Prediction of relative affinities of bioisosteres with computational methods is a long-standing task; however, the very shape closeness ...
Added: January 31, 2024
Medvedev M., Stroganov O., Dmitrienko A. et al., Mendeleev Communications 2022 Vol. 32 No. 6 P. 735-738
Here we propose an over-the-hood docking method that compensates for systematic errors in the docking force fields. This method explicitly estimates the interaction energy of the ligand with the protein surface and uses it as a baseline to estimate the actual binding energy in the active site. It improves the accuracy of virtual screening in the LeadFinder package by up ...
Added: October 25, 2022
Titov I., Стройлов В. С., Русина П. В. et al., Russian Chemical Reviews 2021 Vol. 90 No. 7 P. 831-867
The review aims to present a classification and applicability analysis of methods for preliminary molecular modelling for targeted organic, catalytic and biocatalytic synthesis. The following three main approaches are considered as a primary classification of the methods: modelling of the target – ligand coordination without structural information on both the target and the resulting complex; ...
Added: December 24, 2021
А.Т. П., А.Р. Тамеев, В.Г. Ш., Успехи химии 2018 Т. 87 № 10 С. 923-949
Data on the effect of electromagnetic fields on polymerization processes are analyzed and integrated. The results of
investigation of the response of polymeric systems including polymerization mixtures, polymer solutions, melts and gels to external electromagnetic fields are discussed. Mechanisms of changes in the kinetic parameters of cationic polymerization of certain monomers are considered. They are based ...
Added: July 16, 2018
Kiselyova N. N., Dudarev V.A., Korzhuev M. A., Inorganic Materials: Applied Research 2016 Vol. 7 No. 1 P. 34-39
A database (DB) on the bandgap of inorganic substances available via the Internet (http://bg.imetdb.ru) was developed for the information service of specialists in the sphere of inorganic chemistry and materials science. The DB is integrated with other information systems on the properties of inorganic substances and materials, which provides the search of a wide range ...
Added: February 23, 2016
Baibikova T., Domoratsky E., Вестник Московского финансово-юридического университета 2017 № 1 С. 200-206
Some questions of scientific visualization are under consideration in this paper. This article also discusses the peculiarities of application of cognitive computer graphics, singles out a range of tasks of scientific visualization. The paper gives a brief overview of modern support tools for program visualization, tendencies of their development and their main characteristics. A module ...
Added: June 10, 2017
Toldova S., Azerkovich I., Гришина Ю. et al., / НИУ ВШЭ. Series WP BRP "Linguistics". 2015.
Building benchmark corpora in the domain of coreference and anaphora resolution is an important task for developing and evaluating NLP systems and models. Our study is aimed at assessing the feasibility of enhancing corpora with information about coreference relations. The annotation procedure includes identification of text segments that are subjects to annotation (markables), marking their ...
Added: December 15, 2015
Kalyagin V.A., Koldanov A.P., Koldanov P.A. et al., Physica A: Statistical Mechanics and its Applications 2014 Vol. 413 No. 1 P. 59-70
A general approach to measure statistical uncertainty of different filtration techniques for market network analysis is proposed. Two measures of statistical uncertainty are introduced and discussed. One is based on conditional risk for multiple decision statistical procedures and another one is based on average fraction of errors. It is shown that for some important cases ...
Added: July 19, 2014
Vishnekov A., Erokhin V., Ivanova E., Датчики и системы 2018 Т. 221 № 1 С. 18-24
The article discusses the recovery of distributed control systems of technical objects. The options for the design of subsystems recovery after hardware or software fault of the sensor system are investigated. The development of an integrated subsystems recovery is proposed on the basis of decision-making system to develop the most rational control actions by ...
Added: January 27, 2018
М. : National Instruments Russia, 2017
Содержание сборника составляют доклады с результатами оригинальных исследований и технических решений, ранее не публиковавшиеся. Мы надеемся, что предлагаемый сборник окажется полезным для специалистов, работающих в различных областях науки и техники, для широкого круга преподавателей, аспирантов и студентов ВУЗов, а также для преподавателей средних школ и технических колледжей. ...
Added: May 10, 2017
Furmanov K. K., Nikol'skii I. M., Computational Mathematics and Modeling 2016 Vol. 27 No. 2 P. 247-253
Added: December 22, 2016
Decrouez G. G., Hall P., Bernoulli: a journal of mathematical statistics and probability 2013 Vol. 19 No. 4 P. 1268-1293
Motivated by a problem arising when analysing data from quarantine searches, we explore properties of distributions of sums of independent means of independent lattice-valued random variables. The aim is to determine the extent to which approximations to those sums require continuity corrections. We show that, in cases where there are only two different means, the ...
Added: September 29, 2014
ООО Фирма "Элист", 2014
В книге представлены тезисы докладов I тура XV Всероссийской научно-технической конференции и школы молодых ученых, аспирантов и студентов. ...
Added: October 17, 2014
Barcelona : International Association of Technology, Education and Development , 2012
Added: September 11, 2012
Kotelnikova M. V., Aistov A., Вестник Нижегородского университета им. Н.И. Лобачевского. Серия: Социальные науки 2019 Т. 55 № 3 С. 183-189
The article describes a method that allows to improve the content of disciplines of the mathematical cycle by dividing them into invariant (general) and variable parts. The invariants were identified for such disciplines as «Linear algebra», «Mathematical analysis», «Probability theory and mathematical statistics» delivered to Bachelors program students of economics at several universities. Based on ...
Added: January 28, 2020
Karpov V. E., Karpova I. P., Procedia Engineering 2015 Vol. 100 P. 1459-1468
Work solutions are proposed for problems of leader definition and role distribution in homogeneous groups of robots. It is shown that transition from a swarm to a collective of robots with hierarchical organization is possible using exclusively local interaction. The local revoting algorithm is central to the procedure for choice of leader while redistribution of roles can ...
Added: March 14, 2015
Shuranov E., / Cornell University. Series Computer Science "arxiv.org". 2021.
Text encodings from automatic speech recognition (ASR) transcripts and audio representations have shown promise in speech emotion recognition (SER) ever since. Yet, it is challenging to explain the effect of each information stream on the SER systems. Further, more clarification is required for analysing the impact of ASR's word error rate (WER) on linguistic emotion ...
Added: February 14, 2023