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Expanded Porphyrin Exhibiting Off-Centered Out-of-Plane Coordination to Dysprosium

CCS Chemistry 2024年第7期6卷 1731-1738页

作者： dmitry i.nazarov Jorge Labella Alexey V.Kuzmin Maxim A.Faraonov Evgenii N.ivanov Salavat S.Khasanov Tomas Torres Mikhail K.islyaikin Dmitri V.Konarev Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry RAS 142432 Chernogolovka Department of Organic Chemistry Universidad Autonoma de Madrid28049 Madrid institute of Solid-State Physics RAS 142432 Chernogolovka Research institute of Macroheterocycles Ivanovo State University of Chemistry and Technology15300 Ivanovo G.A.Krestov institute of Solution Chemistry of the Russian Academy of Sciences 153045 Ivanovo institute for Advanced Research in Chemical Sciences Universidad Autonoma de Madrid28049 Madrid iMDEA-Nanociencia 28049 Madrid

The complexation of high-spin lanthanides to porphyrinoids is a powerful strategy for the development of advanced molecular *** this context,the use of expanded porphyrinoids remains elusive since their coordination chemistry is challenging to ***,taking inspiration from on-surface chemistry,we explored the coordination of Dy^(3+)to a six-membered porphyrinoid,namely,the hemihexaphyrazine ***,we observed the selective formation of a mono-nuclear off-centered,out-of-plane H_(2)Hhp-Dy^(3+)complex when performing the complexation under reductive *** this reaction,the oxidation state of the macrocycle did not *** X-ray diffraction analysis,we found that the coordination number of Dy in this complex was *** macrocycle cocrystallized with decamethylcobaltocene(Cp_(2)^(*)Co)molecules,giving rise to a wellordered solid-state packing,governed byπ-π*** a result of this organization,a small magnetic coupling between the neighboring molecules was *** in all,this work provides key insights into the coordination of magnetically active metals with expanded porphyrinoids,thus motivating the development of advanced spintronic devices.

关键词： porphyrins dysprosium macrocycle coordination chemistry magnetism

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interaction of edge dislocations with voids in tungsten

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Tungsten 2024年第3期6卷 633-646页

作者： Arseny Kazakov Rita i.Babicheva Aleksandr Zinovev dmitry Terentyev Kun Zhou Elena A.Korznikova Sergey V.Dmitriev Research Laboratory for Metals and Alloys under Extreme impacts Ufa University of Science and Technology institute for Metals Superplasticity Problems of RAS School of Mechanical and Aerospace Engineering Nanyang Technological University institute for Nuclear Energy Technology Belgian Nuclear Research Center Technological Machines and Equipment Department Ufa State Petroleum Technological University institute of Mechanical Science Problems of RAS institute of Molecule and Crystal Physics UFRC of Russian Academy of Sciences

Tungsten is widely used as a material capable of withstanding extreme operating conditions and is one of the candidates for use in fusion and Generation Ⅳ fission *** modelling implemented to solve various material science problems is an indispensable approach for improving material *** work analyzes the interaction of an edge dislocation with a void in single-crystal tungsten with the help of molecular dynamics *** different approaches for studying the dynamics of dislocations in tungsten that differ in boundary conditions are *** interactions of the dislocation and void at different temperatures are investigated,and based on the obtained stress-strain curves,the dislocation obstacle strength for voids having various diameters is *** is shown that when applied to a crystal with small voids,the model with the fixed boundary conditions returns incorrect ***,the influence of the cell size for the model with periodic boundary conditions is analyzed,and the case of a non-central interaction of a dislocation with a void is *** obtained results improve our understanding of the mechanical response of irradiated materials.

关键词： Tungsten Molecular dynamics method Dislocations Voids Boundary conditions

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Physico−mathematical model of the voltage−current characteristics of light-emitting diodes with quantum wells based on the Sah−Noyce−Shockley recombination mechanism

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Journal of Semiconductors 2024年第8期45卷 25-33页

作者： Fedor i.Manyakhin dmitry O.Varlamov Vladimir P.Krylov Lyudmila O.Morketsova Arkady A.Skvortsov Vladimir K.Nikolaev Dinamics Strength of Machines and Resisance of MaterialsMoscow Polytechnic UniversityRussia Biomedical and Electronic Means and Technologies Vladimir State UniversityRussia Computer-Aided Design and Engineering National University of Science and Technology"MISiS"Russia

Herein,a physical and mathematical model of the voltage−current characteristics of a p−n heterostructure with quantum wells(QWs)is prepared using the Sah−Noyce−Shockley(SNS)recombination mechanism to show the SNS recombination rate of the correction function of the distribution of QWs in the space charge region of diode configuration.A comparison of the model voltage−current characteristics(VCCs)with the experimental ones reveals their *** technological parameters of the structure of the VCC model are determined experimentally using a nondestructive capacitive approach for determining the impurity distribution profile in the active region of the diode structure with a profile depth resolution of up to 10Å.The correction function in the expression of the recombination rate shows the possibility of determining the derivative of the VCCs of structures with QWs with a nonideality factor of up to 4.

关键词： light-emitting diodes with quantum wells voltage−current relation nonideality factor recombination mechanism Sah−Noyce−Shockley model

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Olefin Polymerization Behavior of Titanium(iV) Complexes with Fluorinated and Non-fluorinated Aliphatic Phenoxyimine Ligands

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Chinese Journal of Polymer Science 2024年第1期42卷 52-62,I0007页

作者： Vladislav A.Tuskaev Kasim F.Magomedov Svetlana Ch.Gagieva dmitry A.Kurmaev Yulia V.Nelyubina Evgenii K.Golubev Maria D.Evseeva Viktor G.Vasil'ev Galina G.Nikiforova Mikhail i.Buzin Vyacheslav S.Bogdanov Boris M.Bulychev Department of Chemistry M.V.Lomonosov Moscow State UniversityMoscow 119992Russian Federation A.N.Nesmeyanov institute of Organoelement Compounds Russian Academy of SciencesMoscow119991Russian Federation Enikolopov institute of Synthetic Polymer Materials Russian Academy of SciencesMoscow 117393Russian Federation

A series of Ti(Ⅳ) dichloride and dialkoxide com plexes with phenoxyimine ligands containing fluorinated and nonfluorinated aliphatic imine fragments have been *** molecular structures of complexes 1 and 4 were established by single-crystal X-ray diffraction *** complexes adopt a distorted octahedral coordination structure around the titanium atom and two oxygen atoms are situated in trans position while two nitrogen atoms and two outgoing ligands(Cl or iPrO) are situated in cis *** of activators(MMAO-12 and combinations Et_nAiCl_(3-n)+Bu_(2)Mg) and outgoing ligand(Cl or iPrO) nature on the catalytic activity and properties of the resulting polymers was *** Ti complexes,despite the nature of the outgoing ligands(Cl or iPrO) in the presence of Al/Mg activators,was found to display a high ethylene polymerization activity in the range 1600-3830 kg_(polymer)·mol_(Ti)^(-1)·h^(-1)·atm^(-1) with a viscosity average molecular weight(M_v) value in the range 1.1×10~6-7.1×10~6 Dalton(Da).The resulting UHMWPE can be processed by a solventless method into high-strength and high-modulus oriented *** rheological characteristics of a polymer melt have been *** absence of a cross-over point did not allow to compare the values of the molecular weight distribution of polymers obtained on fluorinated and non-fluorinated pre-catalysts,however,the estimation of the entanglement density is in good agreement with the mechanical characteristics of oriented film *** activation with methylalumoxane,the activity of the com plexes decreased very significantly;however,a polymer with a molecular weight of about 12 million Da was *** the process of ethylene/octene-1 copolymerization,fluorine-containing precatalysts showed a clear advantage over non-fluorinated analogues both in activity and in comonomer content.

关键词： Fi catalysts Titanium(iV) (Co)polymerization Al/Mg co-catalyst Ultra-high molecular weight polyethylene

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Association of ABCB1 gene polymorphisms rs1128503, rs2032582, rs4148738 with anemia in patients receiving dabigatran after total knee arthroplasty

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Chinese Journal of Traumatology 2024年第1期27卷 27-33页

作者： Alina Kasimova dmitry Labutin Anton Gvozdetsky Svetlana Bozhkova Division of Wound infection Prevention and Treatment Vreden National Medical Research Center of Traumatology and OrthopaedicsSt.PetersburgRussian Federation Department of Clinical Pharmacology and Evidence-based Medicine Pavlov First Saint Petersburg State Medical UniversitySt.PetersburgRussian Federation Department of Psychiatry and Addictology North-Western State Medical University named after I.I.MechnikovSt.PetersburgRussian Federation

Purpose:Dabigatran is usually prescribed in recommended doses without monitoring of the blood coagulation for the prevention of venous thromboembolism after joint ***1 is a key gene in the metabolism of dabigatran *** allele variants are likely to play a pivotal role in the occurrence of hemorrhagic ***:The prospective study included 127 patients with primary knee osteoarthritis undergoing total knee *** with anemia and coagulation disorders,elevated transaminase and creatinine levels as well as already receiving anticoagulant and antiplatelet therapy were excluded from the *** association of ABCB1 gene polymorphisms rs1128503,rs2032582,rs4148738 with anemia as the outcome of dabigatran therapy was evaluated by single-nucleotide polymorphism analysis with a realtime polymerase chain reaction assay and laboratory blood *** beta regression model was used to predict the effect of polymorphisms on the studied laboratory *** probability of the type 1 error(p)was less than 0.05 was considered statistically *** was used to correct for significance levels in multiple hypothesis *** calculations were performed using Rprogramming language ***:For all polymorphisms there was no association with the level of platelets,protein,creatinine,alanine transaminase,prothrombin,international normalized ratio,activated partial thromboplastin time and *** of rs1128503(TT)had a significant decrease of hematocrit(p=0.001),red blood count and hemoglobin(p=0.015)while receiving dabigatran therapy during the postoperative period compared to the CC,*** of rs2032582(TT)had a significant decrease of hematocrit(p=0.001),red blood count and hemoglobin(p=0.006)while receiving dabigatran therapy during the postoperative period compared to the GG,GT *** differences were not observed in carriers of ***:it might be necessary to r

关键词： Thromboprophylaxis P-glycoprotein Dabigatran Anemia SNPs

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Porous Shish-Kebab Structure Prepared from Oriented UHMWPE Films by Processing in Supercritical CO_(2)

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Chinese Journal of Polymer Science 2024年第1期42卷 97-104,I0009页

作者： Sergey A.Lermontov Aleksey V.Maksimkin Nataliya A.Sipyagina Tarek Dayyoub Alena N.Malkova Evgeniy A.Kolesnikov Elena A.Straumal inna O.Gozhikova Saidkhodzha G.Nematulloev dmitry V.Telyshev institute of Physiologically Active Compounds of the Russian Academy of Sciences Chernogolovka 142432Russia institute for Bionic Technologies and Engineering I.M.Sechenov First Moscow State Medical University(Sechenov University)Moscow 19991Russia National University of Science and Technology"MiSiS"Moscow 119049 Russia institute of Biomedical Systems National Research University of Electronic TechnologyZelenogradMoscow 124498Russia

For the first time, a highly crystalline porous shish-kebab structure with a high degree of crystallinity was obtained by using a combination of two methods for the formation of porous polymeric materials. A treatment procedure using supercritical carbon dioxide(sc CO_(2))was carried out for oriented ultrahigh molecular weight polyethylene(UHMWPE) films, which provided special conditions for the crystallization of dissolved UHMWPE macromolecules on the surface of oriented UHMWPE crystals. The prepared porous materials were investigated by scanning electron microscopy(SEM) and differential scanning calorimetry(DSC). The particularity of the obtained porous shish-kebab is the absence of the amorphous phase between lamellar crystals(kebabs). The obtained pores had an oval shape, and they were oriented in the orientation direction of the UHMWPE macromolecules. The pore size ranged from 0.05 μm to 4 μm. Controlling the conditions for the crystallization of the UHMWPE macromolecules using supercritical CO_(2) gives the possibility to control the size of both lamellar disks and pores formed.

关键词： UHMWPE Supercritical CO_(2) Porous shish-kebab structure

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A rare case of cardiac and ophthalmic manifestations of meningococcal septicemia

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World Journal of Emergency Medicine 2024年第4期15卷 328-330页

作者： Svetlana Rachina Anastasia Shchendrygina Heshan Radeesha de Silva Svetlana Tarasenko Nadezhda Mukhina irina Komarova Ludmila Fedina Elena Burmistrova Elvira Martens Sergey Sidorenko Vladimir Gostev dmitry Polev Alina Saitova Lyudmila Kraeva Nikita Goncharov irina Zvetkova Department of Hospital Therapy I M Sechenov First Moscow State Medical UniversityMoscow 119048Russia Outpatient Clinic#64 Moscow 119048Russia Department of Cardiology City Clinical Hospital n.a.S.S.YudinMoscow 119048Russia Department of Medical Microbiology and Molecular Epidemiology Pediatric Research and Clinical Center for InfectiousDiseasesSaint Petersburg 197022Russia Department of Medical Microbiology North-Western State Medical University Named After I.I.MechnikovSaintPetersburg 191015Russia Department of Epidemiology Saint-Petersburg Pasteur InstituteSaint Petersburg 197101Russia

Acute pericarditis is usually a self-limiting disorder that commonly occurs due to viral etiology or unexplained *** pericarditis(MP)is a remarkably uncommon clinical entity that manifests as a complication during the acute or convalescent phase of meningococcal ***,its occurrence within the context of meningococcal septicemia has also been *** report a rare case of a previously healthy male patient who developed both acute pericarditis and uveitis as a presentation of meningococcal septicemia,with no characteristic skin rashes or meningeal signs.

关键词： acute Acute rare

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Runaway electrons during subnanosecond breakdowns in high-pressure gases

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High Voltage 2016年第4期1卷 181-191页

作者： Victor F.Tarasenko Mikhail i.Lomaev dmitry V.Beloplotov dmitry A.Sorokin institute of High Current Electronics Siberian Branch Russian Academy of Science2/3 Akademicheskii Ave.Tomsk 634055Russia

The parameters of runaway electrons produced in nanosecond high-voltage discharges in different gases(air,nitrogen,sulphur hexafluoride,krypton,argon,methane,neon,hydrogen,helium)at atmospheric and higher pressure were *** optical analysis was also performed to investigate the ionisation dynamics in diffuse discharges in nitrogen and nitrogen-containing *** breakdown of a point-to-plane gap by nanosecond(≃2 ns)high-voltage(≃200 kV)pulses of negative voltage polarity and gas pressure above 0.1 MPa,a supershort avalanche electron beam(SAEB)was detected by a collector behind the flat *** pressure>0.1 MPa of nitrogen and other gases it is shown that the maximum pressure for SAEB registration decreases with increasing the voltage pulse rise ***,to detect a SAEB at atmospheric and higher gas pressure,one should use voltage pulses with an amplitude of hundred kilovolts and rise time of∼1 ns and *** experimental research in the dynamics of optical radiation from the discharge plasma shows that the breakdown in which runaway electrons are produced develops as an ionisation wave.

关键词： wave. gases fluoride

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Adhesion at friction and wear

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Friction 2022年第11期10卷 1859-1878页

作者： dmitry P.MARKOV Research institute of Railway Transport Moscow 129851Russia

Our understanding of the surrounding world,from friction to the origin of life,depends on how we imagine the contact interaction of condensed *** are the forces acting in contact with solids?Do they attract(adhesive)or repel(dehesive)?Theory and research at the atomic–molecular level have shown that the force are adhesive,but everyday experiences cast doubt on this *** article addresses this issue by considering the mistakes made in experimental and theoretical tribology and surface *** into account the theories of hybridization and dehybridization of electron orbitals and valence bonds,the views on the structure of the surfaces of condensed bodies and the force arising during contact interaction are *** influence of van der Waals,hydrogen,covalent,metallic,and ionic bonds on the properties of lubricants is *** contours of the dehesive–deformation theory of friction and wear are also outlined.

关键词： atomic and molecular interactions adhesion cohesion dehesion friction wear

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Exploring van der Waals materials with high anisotropy:geometrical and optical approaches

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Light(Science & Applications) 2024年第4期13卷 645-653页

作者： Aleksandr S.Slavich Georgy A.Ermolaev Mikhail K.Tatmyshevskiy Adilet N.Toksumakov Olga G.Matveeva Dmitriy V.Grudinin Kirill V.Voronin Arslan Mazitov Konstantin V.Kravtsov Alexander V.Syuy dmitry M.Tsymbarenko Mikhail S.Mironov Sergey M.Novikov ivan Kruglov Davit A.Ghazaryan Andrey A.Vyshnevyy Aleksey V.Arsenin Valentyn S.Volkov Kostya S.Novoselov Moscow Center for Advanced Studies Kulakova str.20Moscow 123592Russia. Emerging Technologies Research Center XPANCEOInternet CityEmmay TowerDubaiUnited Arab Emirates. Donostia international Physics Center(DiPC) Donostia/San-Sebastián 20018Spain. institute of Materials Ecole Polytechnique Federale de Lausanne1015 LausanneSwitzerland. Department of Chemistry Lomonosov Moscow State UniversityMoscow 119991Russia. Laboratory of Advanced Functional Materials Yerevan State UniversityYerevan 0025Armenia. National Graphene institute(NGi) University of ManchesterManchester M139PLUK. Department of Materials Science and Engineering National University of SingaporeSingapore 03-09 EASingapore. institute for Functional intelligent Materials National University of Singapore117544 SingaporeSingapore

The emergence of van der Waals(vdW)materials resulted in the discovery of their high optical,mechanical,and electronic anisotropic properties,immediately enabling countless novel phenomena and *** success inspired an intensive search for the highest possible anisotropic properties among vdW ***,the identification of the most promising among the huge family of vdW materials is a challenging quest requiring innovative ***,we suggest an easy-to-use method for such a survey based on the crystallographic geometrical perspective of vdW materials followed by their optical *** our approach,we found As2S3 as a highly anisotropic vdW *** demonstrates high in-plane optical anisotropy that is~20%larger than for rutile and over two times as large as calcite,high refractive index,and transparency in the visible range,overcoming the century-long record set by *** these benefits,As2S3 opens a pathway towards nextgeneration nanophotonics as demonstrated by an ultrathin true zero-order quarter-wave plate that combines classical and the Fabry–Pérot optical phase ***,our approach provides an effective and easy-to-use method to find vdW materials with the utmost anisotropic properties.

关键词： anisotropy anisotropic high

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