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Deep learning analysis of defect and phase ev.lution during electron beam-induced transformations in WS_(2)

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npj Computational Materials 2019年第1期5卷 1039-1046页

作者： Artem Maksov.Ondrej Dyck Kai Wang Kai Xiao Dav.d B.Geohegan Bobby G.Sumpter Rama K.v.sudev.n Stephen Jesse Sergei v.Kalinin maxim Ziatdinov Center for Nanophase Materials Sciences Oak Ridge National LaboratoryOak RidgeTN 37831USA Institute for Functional Imaging of Materials Oak Ridge National LaboratoryOak RidgeTN 37831USA Bredesen Center for Interdisciplinary Research University of TennesseeKnoxvilleTN 37996USA Computational Sciences&Engineering Div.sion Oak Ridge National LaboratoryOak RidgeTN 37831USA

Recent adv.nces in scanning transmission electron microscopy(STEM)allow the real-time v.sualization of solid-state transformations in materials,including those induced by an electron beam and temperature,with atomic ***,despite the ev.r-expanding capabilities for high-resolution data acquisition,the inferred information about kinetics and thermodynamics of the process,and single defect dynamics and interactions is *** is due to the inherent limitations of manual ex situ analysis of the collected v.lumes of *** circumv.nt this problem,we dev.loped a deep-learning framework for dynamic STEM imaging that is trained to find the lattice defects and apply it for mapping solid state reactions and transformations in layered WS_(2).The trained deep-learning model allows extracting thousands of lattice defects from raw STEM data in a matter of seconds,which are then classified into different categories using unsuperv.sed clustering *** further expanded our framework to extract parameters of diffusion for sulfur v.cancies and analyzed transition probabilities associated with switching between different configurations of defect complexes consisting of Mo dopant and sulfur v.cancy,prov.ding insight into pointdefect dynamics and *** approach is univ.rsal and its application to beam-induced reactions allows mapping chemical transformation pathways in solids at the atomic lev.l.

关键词： defect beam sulfur

Pancreatic enzymes and abdominal adipose tissue distribution in new-onset prediabetes/diabetes after acute pancreatitis

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World Journal of Gastroenterology 2021年第23期27卷 3357-3371页

作者： Juyeon Ko Loren Skudder-Hill Jaelim Cho Sakina H Bharmal maxim S Petrov School of Medicine University of AucklandAuckland 1142New Zealand

BACKGROUND New-onset prediabetes/diabetes after acute pancreatitis(NODAP)is the most common sequela of pancreatitis,and it differs from type 2 prediabetes/diabetes mellitus(T2DM).AIM To study the associations between circulating lev.ls of pancreatic amylase,pancreatic lipase,chymotrypsin and fat phenotypes in NODAP,T2DM,and *** Indiv.duals with NODAP(n=30),T2DM(n=30),and sex-matched healthy indiv.duals(n=30)were *** fat phenotypes(intra-pancreatic fat,liv.r fat,skeletal muscle fat,v.sceral fat,and subcutaneous fat)were determined using the same magnetic resonance imaging protocol and scanner magnet strength for all ***-way analysis of cov.riance,linear regression analysis,and relativ. importance analysis were *** Intra-pancreatic fat deposition(IPFD)was higher in NODAP(9.4%±1.8%)and T2DM(9.8%±1.1%)compared with healthy controls(7.8%±1.9%)after adjusting for cov.riates(P=0.003).Similar findings were observ.d in regards to v.sceral fat v.lume(P=0.005),but not subcutaneous fat v.lume,liv.r fat,or skeletal muscle *** IPFD(β=-2.201,P=0.023)and v.sceral fat v.lume(β=-0.004,P=0.028)were significantly associated with circulating lev.ls of pancreatic amylase in NODAP,but not in T2DM or healthy *** the fiv. fat phenotypes,IPFD explained the highest amount of v.riance in pancreatic amylase concentration(R2=15.3%out of 41.2%).None of the phenotypes contributed meaningfully to the v.riance in pancreatic lipase or *** Both NODAP and T2DM are characterized by increased IPFD and v.sceral fat ***,only NODAP is characterized by significant inv.rse associations between the two fat phenotypes and pancreatic amylase.

关键词： Amylase Lipase Chymotrypsin Pancreatitis Diabetes Intra-pancreatic fat v.sceral fat Liv.r fat

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

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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.Ev.enii N.Iv.nov.Salav.t 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 Adv.nced 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 dev.lopment of adv.nced molecular *** this context,the use of expanded porphyrinoids remains elusiv. 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 observ.d the selectiv. formation of a mono-nuclear off-centered,out-of-plane H_(2)Hhp-Dy^(3+)complex when performing the complexation under reductiv. *** 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,giv.ng rise to a wellordered solid-state packing,gov.rned byπ-π*** a result of this organization,a small magnetic coupling between the neighboring molecules was *** in all,this work prov.des key insights into the coordination of magnetically activ. metals with expanded porphyrinoids,thus motiv.ting the dev.lopment of adv.nced spintronic dev.ces.

关键词： porphyrins dysprosium macrocycle coordination chemistry magnetism

Gene-modified leucoconcentrate for personalized ex v.v. gene therapy in a mini pig model of moderate spinal cord injury

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Neural Regeneration Research 2021年第2期16卷 357-361页

作者： Rustem R.Islamov.Farid v.Bashirov.Mikhail E.Sokolov.Andrei A.Izmailov.Filip O.Fadeev.v.ge A.Markosyan Maria A.Dav.eev. Olga v.Zubkov. maxim M.Smarov.Denis Yu.Logunov.Boris S.Naroditskyi Ilnur I.Salafutdinov.Albert A.Rizv.nov.Ramil G.Turaev Kazan State Medical Univ.rsity KazanRussia Gamaleya Research Institute of Epidemiology and Microbiology MoscowRussia Kazan Federal Univ.rsity KazanRussia The Republican Blood Center of the Ministry of Health of the Republic of Tatarstan KazanRussia

We prev.ously demonstrated that gene-modified umbilical cord blood mononuclear cells ov.rexpressing a combination of recombinant neurotrophic factors are a promising therapeutic approach for cell-mediated gene therapy for neurodegenerativ. diseases,neurotrauma,and *** this study,using a mini pig model of spinal cord injury,we proposed for the first time the use of gene-modified leucoconcentrate prepared from peripheral blood in the plastic blood bag for personalized ex v.v. gene *** obtained from mini pig peripheral blood was transduced with a chimeric adenov.ral v.ctor(Ad5/35 F)that carried an enhanced green fluorescent protein(EGFP)reporter gene in the plastic blood *** day after blood donation,the mini pigs were subjected to moderate SCI and four hours post-surgery they were intrav.nously autoinfused with gene-modified leucoconcentrate.A week after gene-modified leucoconcentrate therapy,fluorescent microscopy rev.aled EGFP-expressing leucocytes in spinal cord at the site of contusion *** the spleen the groups of EGFP-positiv. cells located in the lymphoid follicles were *** v.tro flow cytometry and fluorescent microscopy studies of the gene-modified leucoconcentrate samples also confirmed the production of EGFP by ***,the efficacy of leucocytes transduction in the plastic blood bag and their migratory potential suggest their use for temporary production of recombinant biologically activ. molecules to correct certain pathological *** paper presents a proof-of-concept of simple,safe and effectiv. approach for personalized ex v.v. gene therapy based on gene-modified leucoconcentrate *** animal protocols were approv.d by the Kazan State Medical Univ.rsity Animal Care and Use Committee(approv.l No.5)on May 27,2014.

关键词： chimeric Ad5/35F v.rus enhanced green fluorescent protein gene-modified leucoconcentrate mini pig peripheral blood personalized ex v.v. gene therapy plastic blood bag spinal cord injury

A customized strategy to design intercalation-type Li-free cathodes for all-solid-state batteries

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National Science Rev.ew 2023年第3期10卷 189-202页

作者： Da Wang Jia Yu Xiaobin Yin Sen Shao Qianqian Li Yanchao Wang maxim Av.eev.Liquan Chen Siqi Shi School of Materials Science and Engineering Shanghai University Zhejiang Laboratory Materials Genome Institute Shanghai University State Key Laboratory of Superhard Materials& International Center for Computational Method and Software Jilin University Australian Nuclear Science and Technology Organisation School of Chemistry University of Sydney Institute of Physics Chinese Academy of Sciences

Pairing Li-free transition-metal-based cathodes(MX) with Li-metal anodes is an emerging trend to ov.rcome the energy-density limitation of current rechargeable Li-ion ***,the dev.lopment of practical Li-free MX cathodes is plagued by the existing notion of low v.ltage due to the long-term ov.rlo oked v.ltage-tuning/phase-stability ***,we propose a p-type alloying strategy inv.lv.ng three v.ltage/phase-ev.lution stages,of which each of the v.rying trends are quantitated by two improv.d ligand-field descriptors to balance the abov. *** this,an intercalation-type 2H-v..75Cr0.25S4cathode tuned from layered MX2family is successfully designed,which possesses an energy density of 554.3 Wh kg-1at the ele ctrode lev.l accompanied by interfacial compatibility with sulfide solid-state ele *** propos al of this class of materials is expected to break free from scarce or high-cost transition-metal(*** and Ni) reliance in current commercial *** experiments further confirm the v.ltage and energy-density gains of *** strategy is not limited to specific Li-free cathodes and offers a solution to achiev. high v.ltage and phase stability simultaneously.

关键词： intercalation-type Li-free cathodes all-solid-state Li-metal batteries energy density p-type alloying strategy ligand-field descriptors

Negativ. thermal expansion in one-dimension of a new double sulfate AgHo(SO_(4))_(2)with isolated SO_4 tetrahedra

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Journal of Materials Science & Technology 2021年第17期76卷 111-121页

作者： Yuriy G.Denisenko v.ctor v.Atuchin maxim S.Molokeev.Naizheng Wang Xingxing Jiang Aleksandr S.Aleksandrov.ky Alexander S.Krylov.Aleksandr S.Oreshonkov.Alexander E.Sedykh Sv.tlana S.v.lkov. Zheshuai Lin Oleg v.Andreev.Klaus Müller-Buschbaum Institute of Chemistry Tyumen State University.Tyumen625003Russia Institute of Inorganic and Analytical Chemistry Justus-Liebig-University of Giessen35392Giessen.Germany Department of General and Special Chemistry Industrial University of TyumenTyumen625000Russia Laboratory of Optical Materials and Structures Institute of Semiconductor PhysicsSB RASNovosibirsk630090Russia Laboratory of Semiconductor and Dielectric Materials Novosibirsk State UniversityNovosibirsk630090Russia Research and Dev.lopment Department.Kemerov. State Univ.rsity Kemerovo650000Russia Laboratory of Crystal Physics Kirensky Institute of PhysicsFederal Research Center KSC SB RASKrasnoyarsk660036Russia Siberian Federal Univ.rsity Krasnoyarsk660041Russia Department of Physics Far Eastern State Transport UniversityKhabarovsk680021Russia Technical Institute of Physics and Chemistry Chinese Academy of SciencesBeijing100190China Laboratory of Coherent Optics Kirensky Institute of Physics.Federal Research Center KSC SB RASKrasnoyarsk660036Russia Institute of Nanotechnology Spectroscopy and Quantum ChemistrySiberian Federal UniversityKrasnoyarsk660041Russia Laboratory of Molecular Spectroscopy Kirensky Institute of PhysicsFederal Research Center KSC SB RASKrasnoyarsk660036Russia Center for Materials Research(LaMa) Justus-Liebig-University GiessenGiessen35392Germany Univ.rsity of the Chinese Academy of Sciences Beijing100049China Laboratory of the Chemistry of Rare Earth Compounds Institute of Solid State ChemistryUB RASEkaterinburg620137Russia

A double holmium-silv.r sulfate was obtained for the first *** temperature interv.ls for the formation and stability of the compound were determined by differential scanning *** crystal structure of AgHo(SO_(4))_(2)was determined by Rietv.ld *** X-ray diffraction(XRD)analysis showed that the compound crystallizes in the monoclinic syngony,space group P2_1/m,with the unit cell parameters a=4.71751(4)A,b=6.84940(6)A and c=9.89528(9)A,β=95.1466(4)·,v.318.448(5)A^(3),Z=2,R_B=1.55%,T=303 *** types of sulfate tetrahedra were found in the structure,which significantly affected the spectral properties in the infrared *** the temperature range of 143-703 K,a negativ. thermal expansion along the b direction accompanied by a positiv. thermal expansion along the a and c directions was *** was established that negativ. thermal expansion is the result of the deformation of sulfate tetrahedra,which is affected by the mov.ment of holmium and silv.r *** excitation in the blue spectral range(457.9 nm)produces a luminescence in light blue(489 nm),green(545 nm)and red(654 nm)spectral ranges,and the latter two were of comparable intensity that is fav.rable for WLED *** observ.d luminescent band distribution is ascribed to the specific crystal field at Ho^(3+)ion sites rather than a v.riation of radiationless probability.

关键词： Sulfate Crystal structure Thermal expansion Raman Photoluminescence Band structure

Machine learning for automated experimentation in scanning transmission electron microscopy

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npj Computational Materials 2023年第1期9卷 25-40页

作者： Sergei v.Kalinin Debangshu Mukherjee Kev.n Roccapriore Benjamin J.Blaiszik Ayana Ghosh maxim A.Ziatdinov.Anees Al-Najjar Christina Doty Sarah Akers Nageswara S.Rao Joshua C.Agar Stev.n R.Spurgeon Department of Materials Science and Engineering University of TennesseeKnoxvilleTN 37996USA Computational Sciences and Engineering Div.sion Oak Ridge National LaboratoryOak RidgeTN 37831USA Center for Nanophase Materials Sciences Oak Ridge National LaboratoryOak RidgeTN 37831USA Argonne National Laboratory Data Science and Learning DivisionChicagoIL 60439USA Univ.rsity of Chicago GlobusChicagoIL 60637USA National Security Directorate Pacific Northwest National LaboratoryRichlandWA 99352USA Department of Materials Science and Engineering Drexel UniversityPhiladelphiaPA 19104USA Department of Physics University of WashingtonSeattleWA 98195USA

Machine learning(ML)has become critical for post-acquisition data analysis in(scanning)transmission electron microscopy,(S)TEM,imaging and *** emerging trend is the transition to real-time analysis and closed-loop microscope *** effectiv. use of ML in electron microscopy now requires the dev.lopment of strategies for microscopy-centric experiment workflow design and ***,we discuss the associated challenges with the transition to activ. ML,including sequential data analysis and out-of-distribution drift effects,the requirements for edge operation,local and cloud data storage,and theory in the loop ***,we discuss the relativ. contributions of human scientists and ML agents in the ideation,orchestration,and execution of experimental workflows,as well as the need to dev.lop univ.rsal hyper languages that can apply across multiple *** considerations will collectiv.ly inform the operationalization of ML in next-generation experimentation.

关键词： optimization automated execution

Monophthalocyanine complexes of samarium and terbium with axial ligands:synthesis, structure and optoelectronic properties

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Journal of Rare Earths 2014年第12期32卷 1101-1108页

作者： Alexander A.Maleev.Anatoly P.Pushkarev.v.sily A.Ilichev.Mikhail A.Lopatin maxim A.Samsonov.Georgy K.Fukin Georgy L.Pakhomov.v.adislav.v.Trav.in Iv.n D.Grishin Mikhail N.Bochkarev G.A.Razuv.ev.Institute of Organometallic Chemistry Russian Academy of Sciences Tropinina str.49 603950 Nizhny Novgorod Russia Department of Organic Chemistry Nizhny Novgorod State University 23 Gagarin Avenue 603950 Nizhny Novgorod Russia Institute for Physics of Microstructures Russian Academy of Sciences 7 ul.Akademicheskaya 603950 Nizhny Novgorod Russia

The monophthalocyanine complexes of samarium and terbium containing axial 2-mercaptobenzothiazole（Pc Sm（MBT）（1））, 2-（2-benzoxazol-2-yl） phenolate（Pc Tb（OON）（2）） or 2-（2-benzothiazol-2-yl）phenolate（Pc Tb（SON）（3）） ligands were synthesized and identified by elemental, LDI-TOF and X-ray（for 1） ***（PL） and electroluminescence（EL） spectra of the compounds contained only emission bands of phthalocyanine and axial ligands but did not contain the bands of f-f *** was found that among the complexes 1, 2, 3 the latter had highest photoconductiv.ty（~10–7 S/cm） and photov.ltaic *** organic photov.ltaic dev.ce（OPv. of configuration of ITO/3/C60/Alq3/Al rev.aled open-circuit v.ltage（v.C） of 0.24 v.and short current density（ISC） of 0.3 μA/cm2 under illumination by a xenon lamp at 17 m W/cm2.

关键词： phthalocyanine samarium terbium luminescence photov.ltaic OLED rare earths

maxim推出HDMI v..3、2.25 Gb/s自动电缆均衡器

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电子技术应用 2010年第3期36卷 96-96页

作者： maxim公司 maxim公司

maxim推出用于HDMIv.．3TMDS应用的2．25Gb／s自动电缆均衡器MAX3815A。MAX3815A可补偿0-35m的24AWGHDMI电缆，或0-22in的28AWGHDMI电缆，能够运行速率高达2．25Gb／s的TMDS数据。器件兼容720P、1080i、1080P以及30-36位色彩（“深色”... 详细信息

关键词： maxim MI电缆 b/s 均衡器 HDMI 1080i TMDS 运行速率