Andrii Kyrylchuk

Andrii Kyrylchuk
National Academy of Sciences of Ukraine | ISP · Institute of Organic Chemistry

Ph.D.

About

32
Publications
6,712
Reads
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118
Citations
Additional affiliations
August 2018 - present
Michigan State University
Position
  • Researcher
January 2018 - March 2018
Université Ibn Tofail
Position
  • Researcher
November 2015 - December 2015
University of Helsinki
Position
  • Researcher
Education
September 2008 - July 2010
National Technical University of Ukraine Kyiv Polytechnic Institute
Field of study
  • Organic Chemistry and Technology
September 2004 - July 2008
National Technical University of Ukraine Kyiv Polytechnic Institute
Field of study
  • Organic Chemistry and Technology

Publications

Publications (32)
Article
Full-text available
Alkaloids are natural products known as ethnobotanicals that have attracted increasing attention due to a wide range of their pharmacological properties. In this study, cholinesterase inhibitors were obtained from branches of Abuta panurensis Eichler (Menispermaceae), an endemic species from the Amazonian rainforest. Five alkaloids were isolated, a...
Article
In the emerging field of drug discovery, rapid virtual screening methods become extremely valuable, especially when dealing with ultra-large databases of organic small bioactive molecules. In this work, we present a fast, computationally resource-efficient, and simple workflow for screening targeted compound libraries generated from ultra-large vir...
Article
The Front Cover shows examples of fluoro‐substituted pyrazoles and pyrimidines with saturated heterocyclic substituents – advanced building blocks for organic and medicinal chemistry synthesized by a group of chemists from Kyiv, Ukraine. An efficient approach to the multigram preparation of sp3‐enriched fluorinated building blocks bearing protected...
Article
Full-text available
An implementation of the three-component one-pot approach to unsymmetrical 1,3,5-trisubstituted-1,2,4-triazoles into combinatorial chemistry is described. The procedure is based on the coupling of amidines with carboxylic acids and subsequent cyclization with hydrazines. After the preliminary assessment of the reagent scope, the method had 81% succ...
Preprint
We study the behavior of hydrated graphite oxide (GO) at high temperatures using thermally accelerated molecular dynamics simulations based on ab initio density functional theory. Our results suggest that GO, a viable candidate for water treatment and desalination membranes, is more heat resilient than currently used organic materials. The system w...
Article
Efficient approaches to the gram‐scale synthesis of fluorinated pyrazoles and pyrimidines bearing saturated (hetero)cyclic substituents are described. The methods rely on the heterocyclizations of sp³‐enriched β‐bromo‐α,α‐difluoroketones and fluorinated enaminones (in turn prepared from saturated heterocyclic α‐fluoroketones), respectively; these c...
Article
Full-text available
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...
Article
A three‐component interaction of 4‐chloro‐1‐ethyl‐1H‐benzo[c][1,2]thiazine‐3‐carbaldehyde 2,2‐dioxide with malononitrile and enol nucleophiles of heterocyclic nature has been studied. Depending on the nature of an enol nucleophile this reaction can lead either to heterocyclic ensemble of σ‐linked 4‐chloro‐1‐ethyl‐1H‐benzo[c][1,2]thiazine 2,2‐dioxid...
Article
Full-text available
We report the design and synthesis of a new diazepine derivative, 4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-2,3-benzodiazepin-1-one (VBZ102), and the evaluation of its anxiolytic-like profile, memory impairment effect, and toxicity in Swiss mice. VBZ102 was evaluated for central nervous system effects in an open field, light–dark box, and novel object...
Article
Full-text available
Leukemia is a group of hematological neoplastic disorders linked to high mortality rates worldwide, but increasing resistance has led to the therapeutic failure of conventional chemother-apy. This study aimed to evaluate in vitro the antileukemic activity and potential mechanism of action of a polyphenolic extract obtained from the seeds of Coriand...
Article
We perform ab initio density functional calculations to study the flow of water, methanol, and dimethyl ether through nanotubes of carbon and boron nitride with different diameters and chiralities. The liquids we choose are important solvents, with water and methanol being polar and dimethyl ether being nonpolar. In terms of activation barriers for...
Preprint
We perform ab initio density functional calculations to study the flow of water, methanol and dimethyl ether through nanotubes of carbon and boron nitride with different diameters and chiralities. The liquids we choose are important solvents, with water and methanol being polar and dimethyl ether being non-polar. In terms of activation barriers for...
Article
A set of novel polydentate phosphanes featuring one, two and three formamidine substituents was prepared by the reaction of C‐trimethylsilyl N,N,N’‐trialkylformamidines with P(III) chlorides. Chloro‐ and dichlorophosphanes gave tertiary phosphanes. More sterically congested adamantyldichlorophosphane reacted only with the least sterically congested...
Article
Full-text available
Background: Olea europea L. subsp. europaea var. sylvestris (Mill) Lehr (Oleaster) is a wild endemic olive tree indigenous to the Mediterranean region. Olea europea leaves represent a natural reservoir of bioactive molecules that can be used for therapeutic purposes. Aim of the study: This work was conducted to study antidiabetic and antihypergl...
Preprint
We present a realistic phenomenological description of liquid transport through defective, layered membranes. We derive general expressions based on conventional models of laminar flow and extend the formalism to accommodate slip flow. We consider different types of defects including in-layer vacancies that provide an activation-free tortuous path...
Article
We present a realistic phenomenological description of liquid transport through defective, layered membranes. We derive general expressions based on conventional models of laminar flow and extend the formalism to accommodate slip flow. We consider different types of defects including in-layer vacancies that provide an activation-free tortuous path...
Article
Full-text available
Natural products obtained from species of the genus Abuta (Menispermaceae) are known as ethnobotanicals that are attracting increasing attention due to a wide range of their pharmacological properties. In this study, the alkaloids stepharine and 5-N-methylmaytenine were first isolated from branches of Abuta panurensis Eichler, an endemic species fr...
Article
Full-text available
Anopheles darlingi is the main vector of malaria in Brazil, characterized by a high level of anthropophilia and endophagy. Imidacloprid, thiacloprid, and acetamiprid are the most widespread insecticides of the neonicotinoid group. However, they produce adverse effects on the non-target insects. Flupyradifurone has been marketed as an alternative to...
Article
We design an all-carbon membrane for the filtration and desalination of water. A unique layered assembly of carbon nanostructures including graphite oxide (GO), buckypaper consisting of carbon nanotubes, and a strong carbon fabric provides high mechanical strength and thermal stability, resilience to harsh chemical cleaning agents, and electrical c...
Preprint
We design an all-carbon membrane for the filtration and desalination of water. A unique layered assembly of carbon nanostructures including graphite oxide (GO), buckypaper consisting of carbon nanotubes, and a strong carbon fabric provides high mechanical strength and thermal stability, resilience to harsh chemical cleaning agents and electrical co...
Article
A series of ruthenium(II) p-cymene complexes bearing 2‑(1,2,4‑triazol‑3‑yl)pyridines was obtained. A simple and efficient ¹H NMR spectroscopic criterion for determining coordination mode of the 2‑(1,2,4‑triazol‑3‑yl)pyridines as ligands in the complexes is described. The validity of the criterion is corroborated by DFT calculations using B3LYP func...
Article
Structure of six-membered cyclic aminoiminocarbenes (pyrimidine ylidenes) and their group 13-15 homologues was studied by quantum chemical calculations. Isodesmic and dimerization reaction energies, NICS values, frontier molecular orbitals, as well as NBO, Bader’s “atoms in molecules” and Laplacian bond order (LBO) analyses were employed for estima...
Article
Synthesis and deprotonation of N-phosphanylated[1,2,4]triazolo[4,3-a]pyridinium triflates were investigated. Phosphanylation by t-Bu2PCl proceeds at N1 of starting triazolo-pyridines. According to density functional theory calculations, deprotonation of the formed salt gives abnormal carbenes, which decompose by opening of the triazole cycle. Treat...
Article
Potential atropisomeric ligands, diphenylphosphane derivatives of bis-triazoles, were synthesized by direct phosphanylation of the starting bis-triazoles with chlorodiphenylphosphane. Their crystal structure was elucidated by X-ray diffractional analysis. The conformations of these compounds were modeled by DFT calculations.
Article
1,2-Migration of the phosphano-group to the carbene center in N-phosphano functionalized N-heterocyclic carbenes has been studied by density functional theory (DFT) calculations. An intramolecular mechanism with a three-center transition state structure seems to be most plausible for the isolated carbenes, while an intermolecular pathway catalyzed...
Article
Some possible reaction pathways are analyzed for the recently studied experimental reaction of diaminocarbenes with aroylimines where the carbene acted as an oxygen-withdrawing agent. Several structures corresponding to local minima and transition states were located by geometry optimization. In contrast to the more recent suggestions, the reaction...
Article
Novel N-phosphorylated triazolium salts have been synthesized. They react with sodium bis(trimethylsilyl)amide to produce new stable N-phosphorylated triazole-5-ylidenes, which rearrange to C-phosphorylated triazoles under heating. The formation of two silver carbene complexes is described. Representative carbene and carbene complex structures were...
Article
Synthetic routes to novel N-phosphorylated 1,2,4-triazolium salts have been developed. Treatment of the specified salts with strong base produces new stable N-phosphorylated 1,2,4-triazol-5-ylidenes, which add Se in two stages (first at the carbene carbon and then at phosphorus) and rearrange to C-phosphorylated triazoles with heating. The capacity...
Article
Derivatives of a novel phosphorus-containing heterocyclic system, 4,5-dihydroimidazo [5,1-c][1,4,2]benzodiazaphosphinine, have been prepared by the direct phosphorylation of 1-(2-(aroyl/alkyl)aminophenyl)-2-methylthioimidazole with dibromophenylphosphine in a basic medium. © 2010 Wiley Periodicals, Inc. Heteroatom Chem 22:91–95, 2011; View this art...

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Project (1)
Project
The proposal is devoted to a development of smart drug-vector nanostructures (DVNs) based on stimuli-responsive inorganic, hybrid inorgano-organic nanomatrices, and polymer nanocapsules bearing new pharmaceutically active compounds (PhACs) and synthetic derivatives of natural PhACs. The innovative idea is the DVNs can enter target cancer cell or protozoan parasite infected cell through receptor mediated endocytosis and interact with distinct compartments of the cellular secretory pathway. Owing to adaptive drug release in response to variations in pH and redox environment, the parasite growth or cancer cells proliferation will be suppressed. For this purpose, strongly international and interdisciplinary VAHVISTUS consortium is created. Thus, principal objective of the proposal is to strengthen the existing international collaborations between the Consortium Partners and to establish new long-lasting international and inter-sectoral ones, to provide knowledge sharing through exchanges of research and innovation staff, and to create an intercontinental network in the area of smart DVNs for adaptive delivery to target cells. 6 academic organisations and 1 industrial partner of the Consortium from 3 MS/AC and 3 TC will develop intense and continuous knowledge sharing by cross-fertilisation of ideas through international and intersectoral secondments of staff at different carrier stages. The exchanges are well balanced between ER and ESR, men and women. The Proposal implementation is divided into 7 Work packages. A multicultural creative environment within the VAHVISTUS will contribute to make research and innovation an attractive carrier. Communication and dissemination activities as well as exploitation of results will be crucial within the VAHVISTUS. The Project results will enhance the competitiveness of European pharmaceutical industry, health care, and higher education. A Summer school will be organised on Smart Nanocarriers for Adaptive Drug Delivery.