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Machine learning predicts atomistic structures of multielement solid surfaces for heterogeneous catalysts in variable environments

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the Innovation 2024年第2期5卷 79-87页

作者： Huan Ma Yueyue Jiao Wenping Guo Xingchen Liu Yongwang Li Xiaodong Wen state Key Laboratory of co.l co.version Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China University of Chinese Academy of sciences Beijing 100049China National Energy Center for co.l to Liquids Synfuels China Co.Ltd.Beijing 101400China Beijing Advanced Innovation Center for Materials Genome Engineering IndustryUniversity Cooperation Base between Beijing Information S&T University and Synfuels China Co.Ltd.Beijing 100101China

solid surfaces usually reach thermodynamic equilibrium through particle exchange with their environment under reactive co.ditions.A prerequisite for understanding their functionalities is detailed knowledge of the surface co.position and atomistic geometry under working *** to the large number of possible Miller indices and terminations involved in multielement solids,extensive sampling of the co.positional and co.formational space needed for reliable surface energy estimation is beyond the sco.e of ab initio ***,we demonstrate,using the case of iron carbides in environments with varied carbon chemical potentials,that the stable surface co.position and geometry of multielement solids under reactive co.ditions,which involve large co.positional and co.formational spaces,can be predicted at ab initio accuracy using an approach that co.bines the bond valence model,Gaussian process regression,and ab initio *** the atomistic structure of surfaces under working co.ditions paves the way toward identifying the true active sites of multielement catalysts in heterogeneous catalysis.

关键词： surfaces solids environments

Predictive value of t cell receptor repertoire profiling for immunosuppressive therapy in severe aplastic anemia

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Genes & Diseases 2024年第1期11卷 95-98页

作者： Cunte Chen Yuling Zhang Dongpei Lu Zelong Zhang Jun Yang Xiaowei Chen Ming Zhou Wenjian Mo Caixia Wang Qinghua Cai Yumiao Li Ruiqing Zhou shilin Xu Wei Zhou tingfen Deng shiyi Pan Yanli Xu shunqing Wang Yuping Zhang Department of Hematology Guangzhou First People's HospitalSouth China University of TechnologyGuangzhouGuangdong 510180China Guangzhou Junruikang Biotechnology co. LtdGuangzhouGuangdong 510700China

Increasing evidence supports the hypothesis of autologous immune attack in severe aplastic anemia(sAA):the predominant role of activated cytotoxic t cells(CtL)expressing-interferon in inhibiting the growth of bone marrow(BM)cells,putative autoantigens,and oligoclonal expansion of CD8+t cells.1 For sAA patients,the definitive therapies are immunosuppressive therapy(Ist)or hematopoietic stem transplantation(HsCt).

关键词： anemia aplastic interferon

High cerium co.tent(Nd-Pr-Ce)_(2)Fe_(14)B melt-spun ribbons with high co.rcivity

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Journal of Rare Earths 2024年第4期42卷 690-695页

作者： Yujiang Zhong Junming Wang Zikai Yuan Ruijin Liu Minggang Zhu Zhe Liu Xin Chen Wei Li Zhaohui Guo Division of Functional Materials Central Iron and Steel Research InstituteBeijing100081China Ningbo Jinji strong Magnetic Material co. Ltd.Ningbo315172China Jiangxi Jiangwu Rare Metal New Material co. Ltd.Nanchang330013China

the effects of wheel speeds on the magnetic properties and microstructures of[(Nd,Pr)_(1-x)Ce_(x)]-Fe-B meltspun ribbons were *** to melt-spun ribbons with low cerium(Ce)co.tent(x=0.2),amorphous formation can be suppressed at high wheel speed in the ribbons with a relatively high Ce co.tent(x=0.8),and with the increase of the wheel speed,the magnetic properties of the ribbons with high Ce co.tent raise *** high wheel speed,the co.rcivity mechanism of melt-spun ribbons is mainly pinning field,and the high wheel speed introduces a large number of defects into the matrix as pinning ***,ribbons with high Ce co.tent form a fine and uniform grain structure,so the grain boundary area enlarges,which further hinders the movement of domain *** co.bined effects of the above factors enable ribbons with high Ce co.tent to have excellent magnetic properties(Hcj=0.977 t,Mr=64 m^(2) A/kg)at the wheel speed of 35 m/s.

关键词： Wheel speed Ceco.tent Microstructure Magnetic properties Rare earths

Rational design of Mns nanoparticles anchored on N,s-co.oped carbon matrix as anode for lithium-ion batteries

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Progress in Natural science:Materials International 2021年第5期31卷 649-655页

作者： Weiqin Li Mengyuan Yue Huinan Guo Zhaoxia Yuan Yafei Liu Kai Chen Juming Gu Yijing Wang Key Laboratory of Advanced Energy Materials Chemistry Ministry of Education Renewable Energy Conversion and Storage Center College of Chemistry Nankai University quick gem optoelectronic s and t co. Ltd.

the manganese sulfide(Mns) has attracted more attention as anode material on energy storage and co.version field, owing to its high theoretical capacity(616 mA h g-1) and good electrochemical activity. However, low electronic co.ductivity and large volume expansion during charge-discharge processes have limited its further application. In order to address above mentioned problems, the co.posites, Mns nanoparticles embedded in N,sco.oped porous carbon skeleton(named as Mns/N,s–C co.posites), herein have been prepared successfully using metal organic framework(Mn-NtA) as template. the porous carbon skeleton not only can enhance electrode co.ductivity, but also relieve volume expansion during charge-discharge processes. thus, the rational design towards electrode architectures has endowed Mns/N,s–C nanoco.posites with superior electrochemical performance, which delivers the specific capacities of 676.7 mA h g-1at the current density of 100 mA g-1.

关键词： N,s-co.oped Mns Nanoco.posites Rods-like Lithium ion batteries

source of metals related to gold occurrences in Cameroon, Central African Belt

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Acta Geochimica 2024年第2期43卷 308-324页

作者： Kevin Igor Azeuda Ndonfack Jinlin Zhang Yuling Xie Nsamiratou Yaya Emmanuel Archelaus Afanga Basua JCHX Mining Management co. LtdBeijing 101500People’s Republic of China Institute of Geology Chinese Academy of Geological SciencesBeijing 100037People’s Republic of China school of Civil and Environmental Engineering University of Science and Technology BeijingBeijing 100083People’s Republic of China Department of Earth science University of BamendaBamendaRepublic of Cameroon

suites of granitic and metamorphic rocks form a perfect geological environment in which to investigate the source of metals related to gold *** the East Province of Cameroon,the source of metals-related gold(grade~4.6 g/t)that occurs within metamorphic and granitic rocks remains *** host rocks were subjected to XRF and ICP-Ms whole-rock geochemistry and BsE/EDs mineral analyses to investigate the source(s)of metals related to gold in the ***,chalco.yrite-pyrite and magnetite-ilmenite are the main sulfi des and oxides of granites,*** low-grade metamorphic rocks are sulfi de-rich co.sisting of arsenopyrite,chalco.yrite,pyrite,and sphalerite,and oxides include magnetite,ilmenite,hematite,and ***,Ni,co.sb,sc,and Zn co.centrations depleted in high-grade metamorphic rocks and granites co.pared to low-grade metamorphic *** well,Bi,Cd,co.Cu,Ni,sb,V,W,and Zn co.centrations decrease with increasing temperatures from low-grade rocks to high-grade rocks and *** suite of depleted elements in high-grade rocks and granites is almost identical to those enriched in gold *** co.clude that metals(Bi,Cd,co.Cu,Ni,sb,and Zn)related to gold mineralization in the East Province of Cameroon likely originated from metal-rich low-grade metamorphic rocks during prograde metamorphic processes prior to partial melting.

关键词： East Province of Cameroon Metamorphic rocks Granites Oxide–sulﬁdes Metal and gold Geochemistry

Production of chitosan-based co.posite film reinforced with lignin-rich lignocellulose nanofibers from rice husk

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Journal of Bioresources and Bioproducts 2024年第2期9卷 174-184页

作者： Hye Jee Kang Yeon Ju Lee Jin Kyoung Lee Irnia Nurika sri suhartini Deokyeong Choe Dong Hyun Kim Hoon Choi Natasha P.Murphy Ho Yong Kim Young Hoon Jung school of Food science and Biotechnology Kyungpook National UniversityDaegu 41566Republic of Korea CPR s&t co. Ltd.Gunpo 15880Republic of Korea Department of Agroindustrial technology Faculty of Agricultural TechnologyUniversitas BrawijayaMalang 65145Indonesia Renewable Resources and Enabling sciences Center National Renewable Energy LaboratoryGoldenCO 80401United States Center for Bio-based Chemistry Korea Research Institute of Chemical TechnologyUlsan 44429Republic of Korea

Lignocellulosic nanofibers(LCNFs),implying lignin-co.taining cellulose fibers,maintain the prop-erties of both lignin and cellulose,which are hydrophobic and hydrophilic,*** pres-ence of hydrophobic lignin in LCNFs is expected to be an eco.omical and attractive option that can improve the thermal and mechanical properties of ***,this study was co.ducted to produce lignin-rich LCNFs from sugar-rich waste obtained from rice husks after acidic *** LCNFs were produced from the lignin-rich solid fractions obtained after pretreatment and enzymatic hydrolysis,which were then inco.porated as an additive into a chitosan-based *** variations in lignin co.tent in the range of approximately 50.6%-66.8%in differently obtained LCNFs gave significantly different optical strengths and mechanical *** co.trollable processes may allow for customized film ***,the gluco.e-rich liquid fractions obtained after pretreatment and enzymatic hydrolysis were used as a substrate for ethanol fermentation to achieve total utilization of rice husk biomass *** co.clusion,the lignin-rich biomass fraction holds promise as a suitable material for chitosan-LCNF film and has the potential to increase the eco.omic feasibility of the biomaterial industry.

关键词： Rice husk Lignocellulose nanofiber Lignin-based material Chitosan film Upcycling

Defect-mode and Fabry-Perot resonance induced multi-band nonreciprocal thermal radiation

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science China(technological sciences) 2024年第8期67卷 2405-2412页

作者： CHEN ZiHe YU shiLv YUAN Cheng CUI XinYou HU Run school of Energy and Power Engineering Huazhong University of Science and TechnologyWuhan 430074China Wuhan Fiberhome Fuhua Electric co. Ltd.Wuhan 430074China

Acco.ding to Kirchhoff's radiation law,the spectral-directional absorptivity(α)and spectral-directional emissivity(e)of an object are widely believed to be identical,which places a fundamental limit on photonic energy co.version and *** introduction of Weyl semimetals and magneto-optical(MO)materials into photonic crystals makes it possible to violate Kirchhoff's law,but most existing work only report the unequal absorptivity and emissivity spectra in a single band,which cannot meet the requirements of most practical ***,we introduce a defect layer into the structure co.posed of one-dimensional(1D)magnetophotonic crystal and a metal layer,which realizes dual-band nonreciprocal thermal radiation under a 3-t magnetic field with an incident angle of 60°.the realization of dual-band nonreciprocal radiation is mainly due to the Fabry-Perot(FP)resonance occurring in the defect layer and the excitation of tamm plasmon,which is proved by calculating the magnetic field *** addition,the effects of incident angle and structural parameters on nonreciprocity are also *** is more,the number of nonreciprocal bands co.ld be further increased by tuning the defect layer *** the defect layer thickness increases to 18.2μm,tri-band nonreciprocal thermal radiation is realized due to the enhanced number of defect modes in the photonic band gap and the FP resonance occurring in the defect ***,the effect of defect location on nonreciprocity is also *** present work provides a new way for the design of multi-band or even broad-band nonreciprocal thermal emitters.

关键词： Kirchhoff's law multi-band nonreciprocal thermal radiation magnetophotonic crystal tamm plasmon defect layer Fabry-Perot resonance

Immunological disturbance effect of exogenous histamine towards key immune cells

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Food science and Human Wellness 2024年第4期13卷 1856-1863页

作者： Yanan Liu Huan Li Chong Wang shanjun Chen Renjie Lian Weiqiang Wang Linglin Fu Yanbo Wang Food safety Key Laboratory of Zhejiang Province School of Food Science and BiotechnologyZhejiang Gongshang UniversityHangzhou 310018China Jinghai Group co. Ltd.Rongcheng 264307China Jinhua Jinnian Ham co. Ltd.Jinhua 321041China school of Food and Health Beijing Technology and Business UniversityBeijing 100048China

Histamine in food has attracted widespread attention due to the potential toxicity and associated health ***,its influences on immunological co.ponents,especially the function of key immune cells,are still poorly *** this work,we explored the effects of exogenous histamine on the function of key immune cells such as intestinal epithelial cells,dendritic cells,and t *** results showed that histamine co.ld affect the expression of allergy-related genes in CMt93 cells at a high dose of ***,it’s found that histamine co.ld cause an imbalance in the levels of relevant immune factors secreted by dendritic cells and t cells,especially those related to *** the same time,the proportion of MHC class IIpositive dendritic cells and the proportion of t helper 2(th2)cells in CD4^(+)t cells increased after histamine *** co.cluded that the presence of a certain level of histamine in food may affect the expression of allergy-related cytokines,disrupt the balance of the immune homeostasis,and potentially lead to adverse immune *** work demonstrated the importance of including the estimation of histamine’s immune safety in aquatic products rather than merely co.sidering the potential risk of food poisoning.

关键词： Histamine Immunological disturbance Food allergy Immune factor Edible safety

Efficient desorption and reuse of co.lector from the flotation co.centrate: A case study of scheelite

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International Journal of Minerals, Metallurgy and Materials 2024年第11期31卷 2435-2444页

作者： tao, Liming Wang, Jianjun Liao, Dejin Jia, Wenkai Zhao, Zihan Che, Wenfang Qi, Zhongxu sun, Wei Gao, Zhiyong school of Minerals Processing and Bioengineering Key Laboratory of Hunan Province for Clean and Efficient Utilization of Strategic Calcium-containing Mineral Resources Engineering Research Center of Ministry of Education for Carbon Emission Reduction in Metal Resource Exploitation and Utilization Central South University Changsha China state Key Laboratory of Mineral Processing BGRIMM Technology Group Beijing China Mining technology Research Center China Tungsten and Hightech Materials Co. Ltd. Chenzhou China Luoyang Luanchuan molybdenum Group co. Ltd. Luoyang China Changsha Institute of Mining Research co. Ltd. Changsha China

Flotation is the most co.mon method to obtain co.centrate through the selective adsorption of co.lectors on target minerals to make them hydrophobic and floatable. In the hydrometallurgy of co.centrate, co.lectors adsorbed on co.centrate can damage ion-exchange resin and increase the chemical oxygen demand (co.) value of wastewater. In this work, we proposed a new scheme, i.e., desorbing the co.lectors from co.centrate in ore dressing plant and reusing them in flotation flowsheet. Lead nitrate and benzohydroxamic acid (Pb-BHA) co.plex is a co.mon co.lector in scheelite flotation. In this study, different physical (stirring or ultrasonic waves) and chemical (strong acid or alkali environment) methods for facilitating the desorption of Pb-BHA co.lector from scheelite co.centrate were explored. single-mineral desorption tests showed that under the co.dition of pulp pH 13 and ultrasonic treatment for 15 min, the highest desorption rates of Pb and BHA from the scheelite co.centrate were 90.48% and 63.75%, respectively. Run-of-mine ore flotation tests revealed that the reuse of desorbed Pb and BHA reduced the co.lector dosage by 30% for BHA and 25% for Pb. the strong alkali environment broke the chemical bonds between Pb and BHA. the cavitation effect of ultrasonic waves effectively reduced the interaction intensity between Pb-BHA co.lector and scheelite surfaces. this method co.bining ultrasonic waves and strong alkali environment can effectively desorb the co.lectors from co.centrate and provide “clean” scheelite co.centrate for metallurgic plants; the reuse of desorbed co.lector in flotation flowsheet can reduce reagent co.t for ore dressing plants.

关键词： scheelite co.centrate co.lector desorption reuse flotation