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Antibacterial HA-coatings on bioresorbable Mg alloy

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Journal of Magnesium and Alloys 2024年第5期12卷 1965-1985页

作者： K.V.Nadaraia D.V.Mashtalyar M.A.Piatkova A.I.Pleshkova I.M.Imshinetskiy M.S.Gerasimenko E.A.Belov V.V.Kumeiko D.N.Kozyrev K.A.Fomenko V.V.Mostovaya B.R.Torpanov A.R.Biktimirov I.S.Osmushko S.L.Sinebryukhov S.V.Gnedenkov institute of Chemistry FEB ras Far Eastern federal University A.V.Zhirmunsky National Scientific center of Marine Biology FEB ras Regional Clinical Dermatovenerological Dispensary NMIC “Treatment and Rehabilitation center”

In this study, a calcium-phosphate coating was formed on a Mg-Mn-Ce alloy by the plasma electrolytic oxidation(PEO). The antibiotic vancomycin, widely used in the treatment of infections caused by Staphylococcus aureus(S. aureus), was impregnated into the coating.Samples with vancomycin showed high bactericidal activity against S. aureus. The mechanical and electrochemical properties of the formed coatings were studied, as well as in vitro cytotoxicity tests and in vivo tests on mature male rats were performed. According to SEM,EDS, XRD and XPS data, coatings had a developed morphology and contained hydroxyapatite, which indicates high biocompatibility.The analysis of roughness of coatings without and with vancomycin did not reveal any differences, confirming the high roughness of the samples. During electrochemical tests, an increase in corrosion resistance by more than two times after the application of PEO coatings was revealed. According to the results of an in vivo study, after 28 days of the implantation of samples with calcium phosphate PEO coating and vancomycin, no signs of inflammation were observed, while an inflammatory reaction developed in the area of implantation of bare alloy,followed by encapsulation. Antibiotic release tests from the coatings show a sharp decrease in the concentration of the released antibiotic on day 7 and then a gradual decrease until day 28. Throughout the experiment, no significant deviations in the condition and behavior of the animals were observed; clinical tests did not reveal a systemic toxic reaction.

关键词： Bioactive coatings Biocompatibility Mg alloy Plasma electrolytic oxidation Hydroxyapatite Vancomycin

Peculiarities of Ethylene Polymerization Reactions with Bis(imino)pyridyl Complexes of CoCl_(2) and FeCl_(2)

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Chinese Journal of Polymer Science 2024年第4期42卷 492-500页

作者： Laura A.Rishina Yury V.Kissin Svetlana S.Lalayan Artem A.Antonov Vadim G.Krasheninnikov Alexander A.Gulin N.N.Semenov federal research center for Chemical Physics Russian Academy of Sciences4 Kosygin St.Moscow119991Russia Department of Chemistry and Chemical Biology RutgersThe State University of New Jersey123 Bevier Rd.PiscatawayNJ08854USA boreskov institute of catalysis Russian Academy of Sciences5 Lavrentieva Prosp.Novosibirsk630090Russia

The article describes ethylene polymerization reactions with transition metal catalysts based on complexes of CoCl_(2) and FeCl_(2) with an N,N,N-tridentate ligand 2,6-bis[1-(2,6-dimethylphenylimino)ethyl]pyridine. The complexes are converted into polymerization catalysts by reacting them either with polymethylalumoxane (MAO) or with a combination of Al(C2H5)2Cl and Mg(C4H9)2 at an [Al]:[Mg] ratio of ~3. Both MAO-activated complexes readily polymerize ethylene at 35 ℃ with the formation of linear, low molecular weight polymers with a narrow molecular weight distribution. The same complexes, when activated with the Al(C2H5)2Cl-Mg(C4H9)2 combination, form multi-center catalysts and generate polyethylenes with a broad molecular weight distribution.

关键词： Ethylene polymerization Bis(imino)pyridyl complexes of CoCl_(2)and FeCl_(2) Molecular-weight distribution Polymer chain structure

Phase composition,conductivity,and sensor properties of cerium-doped indium oxide

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Nano Materials Science 2024年第2期6卷 193-200页

作者： M.I.Ikim G.N.Gerasimov V.F.Gromov O.J.Ilegbusi L.I.Trakhtenberg N.N.Semenov federal research center for Chemical Physics of ras MoscowRussia University of Central Florida OrlandoFLUSA Moscow institute of Physics and Technology(State University) DolgoprudnyMoscow RegionRussia Lomonosov Moscow State University MoscowRussia

The hydrothermal synthesis of In_(2)O_(3)and CeO_(2)–In_(2)O_(3)is investigated as well as the properties of sensor layers based on these compounds.During the synthesis of In_(2)O_(3),intermediate products In(OH)_(3)and InOOH are formed,which are the precursors of stable cubic(c-In_(2)O_(3))and metastable rhombohedral(rh-In_(2)O_(3))phases,respectively.A transition from c-In_(2)O_(3)to rh-In_(2)O_(3)is observed with the addition of CeO_(2).The introduction of cerium into rh-In_(2)O_(3)results in a decrease in the sensor response to hydrogen,while it increases in composites based on c-In_(2)O_(3).The data on the sensor activity of the composites correlate with XPS results in which CeO_(2)causes a decrease in the concentrations of chemisorbed oxygen and oxygen vacancies in rh-In_(2)O_(3).The reverse situation is observed in composites based on c-In_(2)O_(3).Compared to In_(2)O_(3)and CeO_(2)–In_(2)O_(3)obtained by other methods,the synthesized composites demonstrate maximum response to H_(2)at low temperatures by 70–100℃,and have short response time(0.2–0.5 s),short recovery time(6–7 s),and long-term stability.A model is proposed for the dependence of sensitivity on the direction of electron transfer between In_(2)O_(3)and CeO_(2).

关键词： Cerium oxide Indium oxide Nanocomposite Hydrothermal method Cubic phase Rhombohedral phase Sensor response Conductivity Hydrogen Response/recovery time

Quantum algorithms for matrix operations and linear systems of equations

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Communications in Theoretical Physics 2024年第3期76卷 100-112页

作者： Wentao Qi Alexandr I Zenchuk Asutosh Kumar Junde Wu School of Mathematical Sciences Zhejiang UniversityHangzhou 310027China federal research center of Problems of Chemical Physics and Medicinal Chemistry ras ChernogolovkaRussia P.G.Department of Physics Gaya CollegeMagadh UniversityRampurGaya 823001India Harish-Chandra research institute HBNIChhatnag RoadJhunsiPrayagraj 211019India Vaidic and Modern Physics research Centre Bhagal BhimBhinmalJalore 343029India

Fundamental matrix operations and solving linear systems of equations are ubiquitous in scientific investigations.Using the‘sender-receiver’model,we propose quantum algorithms for matrix operations such as matrix-vector product,matrix-matrix product,the sum of two matrices,and the calculation of determinant and inverse matrix.We encode the matrix entries into the probability amplitudes of the pure initial states of senders.After applying proper unitary transformation to the complete quantum system,the desired result can be found in certain blocks of the receiver’s density matrix.These quantum protocols can be used as subroutines in other quantum schemes.Furthermore,we present an alternative quantum algorithm for solving linear systems of equations.

关键词： matrix operation systems of linear equations ‘sender-receiver’quantum computation model quantum algorithm

Elucidating elusive quaternary selenide EuCeCuSe3:Synthesis,crystal structure,properties and theoretical studies

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Journal of Rare Earths 2024年第1期42卷 163-171,I0006页

作者： Maxim V.Grigoriev Anna V.Ruseikina Maxim S.Molokeev Vladimir A.Chernyshev Aleksandr S.Aleksandrovsky Alexander S.Krylov Svetlana N.Krylova Nikolai P.Shestakov Dmitriy A.Velikanov Alexander A.Garmonov Alexey V.Matigorov Evgeny A.Ostapchuk Thomas Schleid Damir A.Safin Laboratory of Theory and Optimization of Chemical and Technological Processes University of TyumenVolodarskogo Str.6625003TyumenRussian Federation Kirensky institute of Physics Federal Research Center KSC SB RASAkademgorodok 50 Bld.38660036KrasnoyarskRussian Federation Department of Physics Far Eastern State Transport UniversitySerysheva Str.47680021KrasnoyarskRussian Federation institute of Natural Sciences and Mathematics Ural Federal University Named After the First President of Russia B.N.YeltsinMira Str.19620002EkaterinburgRussian Federation Department of Photonics and Laser Technology Siberian Federal UniversitySvobodnii Ave.79660079KrasnoyarskRussian Federation institute of Physics and Technology University of TyumenVolodarskogo Str.6625003 TyumenRussian Federation institute for Inorganic Chemistry University of StuttgartPfaffenwaldring 55D-70569StuttgartGermany Scientific and Educational and Innovation center for Chemical and Pharmaceutical Technologies Ural Federal University named after the First President of Russia B.N.YeltsinMira Str.19620002 EkaterinburgRussian Federation University of Tyumen Volodarskogo Str.6625003TyumenRussian Federation

We report on the novel heterometallic quaternary selenide EuCeCuSe3,the fabrication of which has been a challenge until this work.The structure of the reported selenide was elucidated from the powder X-ray diffraction data,which revealed the formation of EuCeCuSe3with excellent yield(96.7%)accompanied with a minor fraction of CeSe2(3.3%),and was best solved in orthorhombic space group Pnma with the BaLaCuS3structural type.Thus,the crystal structure of the title compound completes the row of the heterometallic quaternary selenides EuRECuSe3(RE=La,Pr,Nd,Sm,Eu,Gd,Tb,Dy,Ho,Er,Tm,Yb,Lu,Y),of which the cerium-based derivative exclusively belongs to the BaLaCuS3structural type.The distortion of the CuSe4polyhedron was compared for the whole series of EuRECuSe3compounds using theτ4-descriptor for four coordinated ions,which revealed the highest degree of distortion for the Ce3+-containing selenide,followed by the La3+-based derivative.Furthermore,the crystallographic and geometrical parameters of the reported selenide were discussed in comparison to the Ce3+-based sulfides SrCeCuS3and EuCeCuS3.Ab initio calculations of the crystal structure,a phonon spectrum and elastic constants for the crystal of EuCeCuSe3were also performed.The types and wavenumbers of fundame ntal modes were determined and the involvement of ions participating in the phonon modes was assessed.The experimental IR spectrum of the reported selenide was interpreted and found to be in agreement with the calculated spectrum.The experimental direct band gap of EuCeCuSe3was measured to be 1.36 eV that is consistent with the concept of its origin due to interband transitions between orbitals emerging mainly from 4f(valence band)and 5d(conduction band)levels of the Eu2+cation.The dependence of the Young’s modulus on the direction demonstrates the anisotropy of the elastic properties,while the Vickers hardness for EuCeCuSe3was calculated to be 5.2 GPa.Finally,the title compound is paramagnetic above 4 K.

关键词： Quaternary selenide Synthesis Crystal structure Ab initio calculations Magnetic measurements Spectroscopy

Cobalt phthalocyanine promoted copper catalysts toward enhanced electro reduction of CO_(2)to C_(2):Synergistic catalysis or tandem catalysis?

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Journal of Energy Chemistry 2024年第5期92卷 499-507页

作者： Yan Luo Jun Yang Jundi Qin Kanghua Miao Dong Xiang Aidar Kuchkaev Dmitry Yakhvarov Chuansheng Hu Xiongwu Kang New Energy research institute School of Environment and EnergySouth China University of TechnologyHigher Education Mega CenterGuangzhou 510006GuangdongChina Guangdong University of Petrochemical Technology School of Chemical EngineeringMaoming 525000GuangdongChina Arbuzov institute of Organic and Physical Chemistry FRC Kazan Scientific Center of RASArbuzov Street 8Kazan 420088Russian Federation National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029AnhuiChina

The activity and selectivity of electrocatalytic CO_(2)reduction reaction(CO_(2)RR)to C_(2)products on metal catalysts can be regulated by molecular surfactants.However,the mechanism behind it remains elusive and debatable.Herein,copper nanowires(Cu NWs)were fabricated and decorated with cobalt phthalocyanine(CoPc).The electronic interaction between the Cu NWs,CoPc,CO_(2) and CO_(2)RR intermediates were explored by density functional theory(DFT)calculations.It was found that the selectivity and activity of CO_(2)RR towards C_(2)products on Cu NWs were considerably enhanced from 35.2%to 69.9%by surface decoration of CoPc.DFT calculations revealed that CO_(2)RR can proceed in the interphase between Cu substrate and CoPc,and the CO_(2)RR intermediates could synergistically bond with both Cu and Co metal centre in CuNWs-CoPc,which favours the adsorption of CO_(2),CO and CO_(2)RR intermediates,thus reducing the free energy for CO-COcoupling towards C_(2)products.The synergistic interaction was further extended to phthalocyanine(Pc)and other metal phthalocyanine derivatives(MPc),where a relatively weaker synergistic interaction of COintermediates with MPc and Cu substrate and only a slight enhancement of CO_(2)RR towards C_(2) products were observed.This study demonstrates a synergistic catalysis pathway for CO_(2)RR,a novel perspective in interpreting the role of CoPc in enhancing the activity and selectivity of CO_(2)RR on Cu NWs,in contrast to the conventional tandem catalysis mechanism.

关键词： CO_(2)reduction reaction Raman spectroscopy Synergistic catalysis DFT calculation

Insight into the key kinetic steps in the pyrolysis of coking and non-coking coals,characterization of the pyrolysis products

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International Journal of Coal Science & Technology 2023年第2期10卷 169-180页

作者： P.N.Kuznetsov O.Yu.Fetisova L.I.Kuznetsova B.Avid B.Purevsuren institute of Petroleum and Gas Siberian Federal UniversityKrasnoyarskRussia institute of Chemistry and Chemical Technology sb ras Federal Research Center"Krasnoyarsk Science Center SB RAS"KrasnoyarskRussia institute of Chemistry and Chemical Technology Mongolian Academy of SciencesUlaanbaatarMongolia

The chemical composition,structural and plastometric properties of different-ranked coals from Mongolia deposits were studied.The non-isothermal iso-conversion Ozawa-Flynn-Wall and Friedman model-free methods were used to assess kinetic parameters and to differentiate decomposition steps.Key peculiarities of the pyrolysis kinetics of brown and bituminous coals were revealed and discussed in terms of the composition and plastometric properties.Brown coal was shown to undergo three decomposition steps with ever increasing activation energy as temperature increased because of the decomposition of thermally more and more stable molecular fragments.The pyrolysis of bituminous coals occurred in four steps,the activation energy having extreme mode of temperature dependence.An important new finding was that the temperature range of the second,major pyrolysis step well corresponded to that between the softening and re-solidification temperatures according to Gieseler plastometry.The yield and composition of the pyrolysis products obtained under isothermal conditions were also characterized depending on coal rank and temperature,and the ways for qualified utilizations were offered.

关键词： Coal Pyrolysis Thermogravimetry Plastometry Activation energy

Quantitative tracking of trans-synaptic nose-to-brain transport of nanoparticles and its modulation by odor,aging,and Parkinson’s disease

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Nano research 2023年第5期16卷 7119-7133页

作者： Alexander V.Romashchenko Dmitrii V.Petrovskii Sergey Yu.Trotsky Ksenia N.Morozova Nina B.Illarionova Maria V.Zhukova Elena V.Kiseleva Marina B.Sharapova Daniil S.Zuev Konstantin E.Kuper Sergey Yu.Taskaev Anna I.Kasatova Dmitrii A.Kasatov Olga I.Solovieva Ivan A.Razumov Ludmila A.Gerlinskaya Mikhail P.Moshkin Yuri M.Moshkin The federal research center institute of Cytology and Genetics SB RASAcademician Lavrentiev Avenue10Novosibirsk 630090Russia International tomography center Institutskaya st.3ANovosibirsk 630090Russia G.K.boreskov institute of catalysis SB RASAcademician Lavrentiev Avenue5Novosibirsk 630090Russia The federal research center Budker institute of Nuclear Physics SB RASAcademician Lavrentiev Avenue11Novosibirsk 630090Russia institute of Computational Technologies Academician M.A.Lavrentiev avenue6Novosibirsk 630090Russia institute of Gene Biology Russian Academy of SciencesMoscow 117334Russia institute of Molecular and Cellular Biology SB RASAcad.Lavrentiev Ave8/2Novosibirsk 630090Russia federal research Centre of Biological Systems and Agrotechnologies RASst.January 929Orenburg 460000Russia

Nanoparticles(NPs)can be transported via the nose-to-brain(N_(2)B)route.Nonetheless,quantitative data on their spatiotemporal dynamics and regulation of the N_(2)B transport are largely lacking.We surveyed metal oxide/hydroxide NPs as magnetic resonance imaging(MRI)contrasts for quantitative N_(2)B tracking.NPs containing divalent transition metals were the only ones capable of N_(2)B transmission.Using T1-weighted(T1W)MRI,we showed that Mn_(3)O_(4)-NPs were readily engulfed by olfactory receptor neurons(ORNs)without disrupting olfactory sensing,we mapped their N_(2)B trajectory.Within neurons,the Mn_(3)O_(4)-NPs were localized to the cytosol,mitochondria,vesicles,moved at mixed fast and slow axonal transport velocities intraand extra-vesicularly through ORNs.The NPs’axonal transport is dependent on neuronal activity and microtubule integrity.The Mn_(3)O_(4)-NPs were trans-synaptically transmitted through at least four synapses across the olfactory tract.Trans-synaptic transmission of the NPs was dependent on N-type Ca^(2+)channels and NMDA receptors but blocked by GABAB receptor activation.A five-parameter Weibull signal increase/decrease model fitted to the T1W MRI data allowed for estimating kinetic parameters of Mn_(3)O_(4)-NP accumulation/elimination.Absolute and relative accumulation rates,but not elimination,correlated negatively with the number of synapses from ORNs,indicating a coupling of the NPs’N_(2)B transport with spontaneous neuronal activity.Accordingly,olfactory stimuli(2,5-dimethylpyrazine and acetophenone)significantly modulated and rerouted the Mn_(3)O_(4)-NP N_(2)B transport odor specifically.Finally,the NPs’trans-synaptic transmission was impaired by aging and the onset of Parkinson’s disease.These data suggest new approaches to diagnostics,functional neuroimaging,controlling N_(2)B drug delivery.

关键词： Mn_(3)O_(4)nanoparticles magnetic resonance imaging(MRI) nose-to-brain transport trans-synaptic transmission olfactory stimulation

Operating limits and features of direct air capture on K_(2)CO_(3)/ZrO_(2) composite sorbent

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Chinese Journal of Chemical Engineering 2022年第6期35卷 11-20页

作者： Vladimir S.Derevschikov Janna V.Veselovskaya Anton S.Shalygin Dmitry A.Yatsenko Andrey Z.Sheshkovas Oleg N.Martyanov boreskov institute of catalysis sb ras Akademika Lavrentieva Av.5630090 NovosibirskRussia Novosibirsk State University Pirogova Str.1630090 NovosibirskRussia

Potassium carbonate-based sorbents are prospective materials for direct air capture(DAC).In the present study,we examined and revealed the influence of the temperature swing adsorption(TSA)cycle conditions on the CO_(2) sorption properties of a novel aerogel-based K_(2)CO_(3)/ZrO_(2) sorbent in a DAC process.It was shown that the humidity and temperature drastically affect the sorption dynamic and sorption capacity of the sorbent.When a temperature at the sorption stage was 29℃ and a water vapor pressure P_(H2O) in the feed air was 5.2 mbar(1 bar=105 Pa),the composite material demonstrated a stable CO_(2) sorption capacity of 3.4%(mass).An increase in sorption temperature leads to a continuous decrease in the CO_(2) absorption capacity reaching a value of 0.7%(mass)at T=80℃.The material showed the retention of a stable CO_(2) sorption capacity for many cycles at each temperature in the range.Increasing PH2O in the inlet air from 5.2 to 6.8 mbar leads to instability of CO_(2) sorption capacity which decreases in the course of 3 consecutive TSA cycles from 1.7%to 0.8%(mass)at T=29℃.A further increase in air humidity only facilitates the deterioration of the CO_(2) sorption capacity of the material.A possible explanation for this phenomenon could be the filling of the porous system of the sorbent with solid reaction products and an aqueous solution of potassium salts,which leads to a significant slowdown in the CO_(2) diffusion in the composite sorbent grain.To investigate the regeneration step of the TSA cycle in situ,the macro ATRFTIR(attenuated total reflection Fourier-transform infrared)spectroscopic imaging was applied for the first time.It was shown that the migration of carbonate-containing species over the surface of sorbent occurs during the thermal regeneration stage of the TSA cycle.The movement of the active component in the porous matrix of the sorbent can affect the sorption characteristics of the composite material.The revealed features make it possible to formulate the requirements and limitations th

关键词： Zirconia aerogel Potassium carbonate Carbon dioxide Direct air capture Fourier-transform infrared spectroscopic imaging