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Achieving high carrier mobility and low lattice thermal conductivity in GeTe-based alloys by cationic/anionic co-doping

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Rare Metals 2024年第6期43卷 2784-2795页

作者： xiao-Qiang Wang xiao-Quan Hu Jun-Yan Lin Chu-Bin Li xiao-Tong Yu Qi-Yong Chen Li-Li xi Qi-Shuo Yang Han Li Ji-ye Zhang Shuan-Kui Li Kai Guo School of Physics and Materials Science Guangzhou UniversityGuangzhou 510006China Research Center for Advanced Information Materials(CAIM) Huangpu Research&Graduate School of Guangzhou UniversitySino-Singapore Guangzhou Knowledge CityGuangzhou510555China School of Materials Science and Engineering Shanghai UniversityShanghai 200444China Materials Genome Institute Shanghai UniversityShanghai 200444China School of Mechanical and Mining Engineering University of QueenslandBrisbaneQLD 4072Australia Key Laboratory of Si-Based Information Materials&Devices and Integrated Circuits Design Department of Education of Guangdong ProvinceGuangzhou 510006China

TheⅣ-Ⅵcompound GeTe is considered as a promising alternative to the toxic PbTe for high-efficiency mid-temperature thermoelectric ***,pristine GeTe suffers from a high concentration of Ge vacancies,resulting in an excessively high hole concentration(>1×10^(21)cm^(-3)),which greatly limits its thermoelectric *** address this issue,CuBiTe_(2)alloying is introduced to increase the formation energy of Ge vacancies in GeTe,thereby inhibiting the high carrier *** carrier scattering caused by the electronegativity difference between different elements is suppressed due to the similar electronegativity of Cu and Ge atoms.A relatively high hole mobility is obtained,which ultimately leads to a high power ***,by introducing Se as an alloying element at the anionic site in GeTe,dense point defects with mass/strainfield fluctuations are *** contributes to the strengthening of phonon scattering,thereby reducing the lattice thermal conductivity from 1.44 W·m^(-1)·K^(-1)for pristine GeTe to 0.28 W·m^(-1)·K^(-1)for Ge_(0.95)Cu_(0.05)Bi_(0.05)Te_(0.9)Se_(0.15)compound at 623 K.

关键词： GeTe Carrier mobility CuBiTe_(2)alloying Lattice thermal conductivity Thermoelectric properties

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Enhancing blocking temperature using inverse hydrogen bonds for non-radical bridged dimeric Dy(Ⅲ) single-molecule magnets

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Science China Chemistry 2024年第10期67卷 3328-3338页

作者： Peng-Bo Jin Qian-Cheng Luo ye-ye Liu Yan-Zhen Zheng Frontier Institute of Science and Technology State Key Laboratory of Electrical Insulation and Power EquipmentMOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed MatterXi'an Key Laboratory of Electronic Devices and Material Chemistry and School of ChemistryXi'an Jiaotong University

Single-molecule magnets（SMMs） are a kind of nanosized magnetic materials that are capable of storing massive bytes of *** coupling the spin centers in a proper manner is a usual approach to promote the working temperature（or blocking temperature） for *** delocalized radicals have been widely employed to accomplish this ***,we show a new manner by using weak but multiple B–Hδ-···Dy3+inverse hydrogen bonding（IHB） interactions to control the magnetic couplings in a series of dimeric dysprosiacaborane *** approach leads to a record high TB100sof 10 K among non-radical bridged dimeric SMMs,which is mainly ascribed to strong ferromagnetic coupling(4.38 cm-1) and the proper alignment of the magnetic principle axes of the adjacent dysprosium（Ⅲ） *** verifying by theoretical calculations,these results demonstrate that IHB interactions can be used to construct strong axial ferromagnetic coupling and enhancing magnetic blocking temperature for SMMs.

关键词： single-molecule magnets carborane dysprosium ferromagnetic coupling inverse hydrogen bond

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Liu-Jun-Zi decoction alleviates chemotherapy-induced anorexia by regulating gut microbiota and TLR4/MyD88/NF-κB p65 signaling pathway

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Traditional Medicine Research 2024年第8期9卷 47-58页

作者： Yu-Jie Gao xi-Pei Wu Bin-Bin ye Yong-Zhao Dai Yao-Zhong Zhao xiu-xiu Liao Ke Nie School of Chinese Materia Medica Guangdong Pharmaceutical UniversityGuangzhou 510006China

Background:Liu-Jun-Zi decoction(LJZD),a classical nourishing formula in China,has been proven to be effective in treating chemotherapy-induced *** this study,the mechanism of LJZD in alleviating chemotherapy-induced anorexia was discussed from the aspects of regulating gut microbiota,repairing intestinal barrier injury and inhibiting inflammatory ***:A rat model of chemotherapy-induced anorexia was established using *** study evaluated the therapeutic effects of LJZD by observing the weight,food intake,and intestinal pathology of *** impact of LJZD on gut microbiota and metabolites,specifically short-chain fatty acids,was investigated through gut microbiota analysis and targeted *** anti-inflammatory and intestinal protective effects of LJZD were assessed by examining the expression of intestinal tight junction proteins associated with the inflammatory ***:LJZD alleviated cisplatin-induced inflammation and intestinal barrier disruption,as evidenced by upregulated expression of tight junction protein 1(TJ-1)and occludin,along with reduced serum levels of interleukin 6(IL-6),interleukin-1β(IL-1β),tumor necrosis factor-α(TNF-α),and ***,LJZD alleviated microbiota imbalance and regulated the levels of short-chain fatty acids,especially increased the relative abundance of Coriobacteriales Incertae Sedis,Lactabacillus johnsonii F19785,Parasutterella,and reduced the *** the hypothalamus,LJZD exerts suppressive effects on the toll-like receptor 4(TLR4)/myeloid differentiation factor 88(MyD88)/nuclear factor-κB(NF-κB)p65 signaling pathway,leading to a downregulation in the transcriptional activity of IL-6 and IL-1β,as well as Interleukin 6 receptors(IL-6R)and Interleukin-1βreceptors(IL-1R1)mRNA expression ***:In summary,LJZD alleviate chemotherapy-induced anorexia by modulating the gut microbiota,repairing the intestinal mechanical barriers,and suppressing the TLR4

关键词： Liu-Jun-Zi decoction chemotherapy-induced anorexia cisplatin TLR4/MyD818/NF-κB p65 gut microbiota rat

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Rapid discovery of two unprecedented meroterpenoids from Daphne altaica *** molecular networking integrated with MolNetEnhancer and Network Annotation Propagation

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Chinese Chemical Letters 2024年第8期35卷 294-298页

作者： Wei-Yu Zhou Zi-Han xi Ning-Ning Du Li ye Ming-Hao Jiang Jin-Le Hao Bin Lin Guo-Dong Yao xiao-xiao Huang Shao-Jiang Song Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research&Development Liaoning ProvinceEngineering Research Center of Natural Medicine Active Molecule Research&DevelopmentLiaoning ProvinceKey Laboratory of Natural Bioactive Compounds Discovery&ModificationShenyangSchool of Traditional Chinese Materia Medic1Shenyang Pharmaceutical UniversityShenyang 110016China Key Laboratory of Structure-Based Drug Design and Discovery of Ministry of Education Shenyang Pharmaceutical UniversityShenyang 110016China Wuya College of Innovation Shenyang Pharmaceutical UniversityShenyang 110016China

Under the guidance of the approach which integrates molecular networking,MolNetEnhancer and Net-work Annotation Propagation(NAP),daphnaltaicanoids A and B(1 and 2)with unprecedented 9-oxa-tetracyclo[6.***.1.0^(2,6).0^(8,13)]pentadecane and tetracyclo[5.***.0.1^(2,5).2^(4,11)]tridecane central frameworks were iso-lated from Daphne altaica Pall.,representing two types of unparalleled meroterpenoid *** struc-tures were elucidated by extensive spectroscopic analysis,nuclear magnetic resonance(NMR)calcula-tions,DP4+analysis and electronic circular dichroism(ECD)*** plausible biosynthetic path-ways for 1 and 2 were ***,2 exerted potent neuroprotective activities which were su-perior to trolox at 12.5 and 25μmol/***,1 and 2 exhibited more noticeable acetylcholinesterase inhibitory activities than *** docking simulations were performed to explore the inter-molecular interaction of compounds 1 and 2 with *** bioactivity evaluation results highlight the prospects of 1 and 2 as a novel category of neurological agents.

关键词： Daphne altaica Pall. Molecular networking MolNetEnhancer NAP Unprecedented meroterpenoid frameworks Neuroprotective activities Acetylcholinesterase inhibitors

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Theoretical analysis of the double-differential cross-sections of neutron,proton,deuteron,^(3)He,andαfor the p+^(6) Li reaction

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Nuclear Science and Techniques 2024年第3期35卷 181-197页

作者： Fang-Lei Zou xiao-Jun Sun Jing-Shang Zhang Hai-Rui Guo Yin-Lu Han Rui-Rui Xu xi Tao Ji-Min Wang xiao-Dong Sun Yuan Tian Tao ye Yong-Li Xu Chun-Tian Liang College of Physics Guangxi Normal University541004 GuilinChina Guangxi Key Laboratory of Nuclear Physics and Nuclear Technology 541004 GuilinChina China Institute of Atomic Energy P.O.Box 275(41)102413 BeijingChina Institute of Applied Physics and Computational Mathematics 10094 BeijingChina College of Physics and Electronic Shanxi Datong University037009 DatongChina School of Science Tianjin Chengjian University300384 TianjinChina

Based on the unified Hauser–Feshbach and exciton model,which can describe the particle emission processes between discrete energy levels with energy,angular momentum,and parity conservations,a statistical theory of light nucleus reaction(STLN)is developed to calculate the double-differential cross-sections of the outgoing neutron and light charged particles for the proton-induced^(6) Li reaction.A significant difference is observed between the p+^(6) Li and p+^(7) Li reactions owing to the discrepancies in the energy-level structures of the *** reaction channels,including sequential and simultaneous emission processes,are analyzed in *** the double-differential cross-sections of the outgoing proton as an example,the influence of contaminations(such as^(1) H,^(7)Li,^(12)C,and^(16)O)on the target is identified in terms of the kinetic energy of the first emitted *** optical potential parameters of the proton are obtained by fitting the elastic scattering differential *** calculated total double-differential cross-sections of the outgoing proton and deuteron at E_(p)=14 MeV agree well with the experimental data for different outgoing ***,the mixed double differential cross-sections of^(3) He andαare in good agreement with the *** agreement between the measured data and calculated results indicates that the two-body and three-body breakup reactions need to be considered,and the pre-equilibrium reaction mechanism dominates the reaction *** on the STLN model,a PLUNF code for the p+^(6) Li reaction is developed to obtain an ENDF-6-formatted file of the double-differential cross-sections of the nucleon and light composite charged particles.

关键词： Statistical theory of light nucleus reaction p+^(6)Li reaction Light composite charged particle Double-differential cross-sections Two-body breakup Three-body breakup

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Network Pharmacology-Based Dissection of the Bioactive Compounds and Pharmacological Mechanisms of Yiqi Fumai Lyophilized Injection for the Treatment of Heart Failure

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World Journal of Traditional Chinese Medicine 2024年第1期10卷 75-82页

作者： Yu-xi Huang Jing-Jing Fan Lu-Lu Xu Rong Yu Yi Kuang Yue Chai Rui Zheng xiao-Yu Zhang Hong-Cai Shang Xue Qiao Min ye State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijingChina Key Laboratory of Chinese Internal Medicine of Ministry of Education Dongzhimen HospitalBeijing University of Chinese MedicineBeijingChina Yunnan Baiyao International Medical Research Center Peking UniversityBeijingChina Key Laboratory of Molecular Cardiovascular Sciences of Ministry of Education Peking UniversityBeijingChina

Objective:Yiqi Fumai Lyophilized Injection(YQFM),a Chinese medicine injection,has been widely used for the treatment of cardiovascular diseases,especially heart failure(HF).However,bioactive compounds and underlying mechanisms of YQFM in treating HF remain poorly *** and Methods:Network pharmacology was employed to investigate the bioactive compounds and mechanisms of YQFM.A compound-target network was constructed to screen bioactive compounds based on contribution index ***,an adriamycin-induced HF rat model was established to evaluate the cardio-protective effects of YQFM by hematoxylin and eosin staining and enzyme-linked immunosorbent ***:Network pharmacology indicated that YQFM may alleviate HF through 36 compounds and 109 ***,ginsenosides Rb1,Rg1,Re,Rf,Rb2,Rh1,schisandrin,and ginsenoside Rc were indicated as the top contributors of YQFM in treating *** was predicted to act on multiple targets such as vascular endothelial growth factor A,interleukin-2(IL-2),IL-6,and IL-1β,as well as to regulate signaling pathways such as hypoxia-inducible factor 1,tumor necrosis factor,VEGF,and *** pharmacological study suggested that YQFM could attenuate cardiac injury and up-regulate plasma concentrations of VEGFR-1 and NO in HF *** Rb1,as the major contributor from network pharmacology analysis,also showed a cardioprotective effect and up-regulation of VEGFR-1 in ***:Ginsenosides and schisandrin were predicted as the most important contributors to the cardioprotective effect of *** Rb1 was proved to alleviate HF and increase the plasma concentration of VEGFR-1.

关键词： Contribution index heart failure network pharmacology traditional Chinese medicine yiqi fumai lyophilized injection

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Highly efficient photo-thermal synergistic catalysis of CO_(2)methanation over La_(1-x)Ce_(x)NiO_(3)perovskite-catalyst

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Nano Research 2024年第9期17卷 7945-7956页

作者： Ting Li Zhen-Yu Zhang De-cun Luo Bo-Yu Xu Rong-Jiang Zhang Ji-Long Yao Dan Li Tao xie Institute of Industrial Catalysis School of Chemical Engineering and TechnologyXi’an Jiaotong UniversityXi’an 710049China

Solar-driven photo-thermal catalytic CO_(2)methanation reaction is a promising technology to alleviate the problems posed by greenhouse gases ***,designing advanced photo-thermal catalysts remains a research challenge for CO_(2)methanation *** this work,a series of ABO3(A=lanthanide,B=transition metal)perovskite catalysts with Ce-substituted LaNiO3(La_(1-x)Ce_(x)NiO_(3),x=0,0.2,0.5,0.8,1)were synthesized for CO_(2)*** La_(0.2)Ce_(0.8)NiO_(3) exhibited the highest CH_(4) formation rate of 258.9 mmol·g^(-1)·hcat-1,CO_(2)conversion of 55.4%and 97.2%CH_(4) selectivity at 300℃with the light intensity of 2.9 W·cm^(-2).Then the catalysts were thoroughly analyzed by physicochemical structure and optical properties *** partial substitution of the A-site provided more active sites for the adsorption and activation of CO_(2)/H_(2).The sources of the active sites were considered to be the oxygen vacancies(O_(v))created by lattice distortions due to different species of ions(La^(3+),Ce^(4+),Ce^(3+))and exsolved Ni0 by H_(2)*** catalysts have excellent light absorption absorbance and low electron-hole(e^(-)/h^(+))recombination rate,which greatly contribute to the excellent performance in photo-thermal synergistic catalysis(PTC)CO_(2)*** results of in situ irradiated electron paramagnetic resonance spectrometer(ISI-EPR)and ISI-X-ray photoelectron spectroscopy(XPS)indicated that the aggregation of unpaired electrons near the defects and Ni metal(from La and Ce ions to Ov and Ni0)accelerated adsorption and activation of CO_(2)/H_(2).At last,the catalyst properties and structure were correlated with the proposed reaction mechanism from the in situ diffuse reflection infrared Fourier transform spectrum(DRIFTS)*** in situ precipitation of the B-site enhanced the dispersion of Ni,while its enriched photoelectrons upon illumination further promote hydrogen *** H^(*)spillover accelerated t

关键词： photo-thermal catalysis CO_(2)methanation perovskite A-site substitution in situ diffuse reflection infrared Fourier transform spectrum(DRIFTS)

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Effectiveness of onsite and online education in enhancing knowledge and use of human immunodeficiency virus pre-and postexposure prophylaxis

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World Journal of Clinical Cases 2024年第22期12卷 5042-5050页

作者： Ying Shao Mei Zhang Li-Jun Sun Hong-Wei Zhang An Liu xi Wang Ruo-Lei xin Jian-Wei Li Jiang-Zhu ye Yue Gao Zhang-Li Wang Zai-cun Li Tong Zhang Clinic of Center for Infection Beijing Youan HospitalCapital Medical UniversityBeijing 100069China Department of Infectious Diseases and Medical Immunology Beijing Youan HospitalCapital Medical UniversityBeijing 100069China Chinese Association of STD and AIDS Prevention and Control Beijing 100050China Institute of STD/AIDS Prevention and Control Beijing Center for Disease Prevention and ControlBeijing 100013China

BACKGROUND Enhancing awareness and use of pre-exposure prophylaxis(PrEP)and postexposure prophylaxis(PEP)is vital to curb human immunodeficiency virus(HIV)***-risk behaviors prevalent among sexually transmitted infection clinic outpatients underscore the need for increased PrEP/PEP education in this *** To investigate the effects of both onsite and online health education on the knowledge of,and willingness to use,PrEP and PEP among individuals receiving PEP *** Participants were drawn from a cohort study on PEP service intervention at an STD/AIDS outpatient clinic in designated HIV/AIDS hospitals in Beijing,conducted from January 1 to June 30,*** education was provided both onsite and online during *** assessing knowledge of,and willingness to use,PrEP/PEP were administered at baseline and again at 24 wk *** A total of 112 participants were enrolled in the study;105 completed the follow-up at week *** percentage of participants with adequate knowledge of,and willingness to use,PrEP significantly increased from 65.2%and 69.6%at baseline to 83.8%and 82.9%at the end of the intervention(both Pyears and 40 years of age,having a postgraduate degree or higher,and reporting a monthly expenditure of RMB 5000 or more were found to be significantly associated with knowledge of PrEP and PEP(both P<0.05).CONCLUSION The findings show that both onsite and online health education significantly improved the knowledge of,and increased willingness to use,PrEP and PEP in individuals utilizing PEP services.

关键词： Human immunodeficiency virus Pre-exposure prophylaxis Post-exposure prophylaxis Health education Intervention

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One-Electron Reduction of Constrained and Unsymmetric Diiron Dinitrogen Complexes

One-Electron Reduction of Constrained and Unsymmetric Diiron...

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第4届分子科学博士后学术年会

作者： Rui Feng Yang Jiang Junnian Wei Shengfa ye Zhenfeng xi

Iron sites in both nitrogenase enzymes and chemical catalysis for N fixation are typically at constrained distances and angles. Herein,we report one-electron reduction reaction realized by constrained diiron dinitrogen cores.[4] Using the semicircular bis（β-diketiminate） ligand,a series of diiron dinitrogen complexes were synthesized,in which the N groups were allowed to bind with Fe-Ct-Fe angles ranging from 154° to 158°(Ct=centroid of N).

关键词： One-Electron Reduction of Constrained and Unsymmetric Diiron Dinitrogen Complexes

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Tuning the surface electronic structure of noble metal aerogels to promote the electrocatalytic oxygen reduction

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Journal of Energy Chemistry 2024年第2期89卷 557-564,I0013页

作者： Hongxing Yuan Wei Gao xinhao Wan Jianqi ye Dan Wen State Key Laboratory of Solidification Processing School of Materials Science and EngineeringNorthwestern Polytechnical UniversityXi’an 710072ShaanxiChina

The sluggish kinetics of the oxygen reduction reaction(ORR)is the bottleneck for various electrochemical energy conversion *** the electronic structure of electrocatalysts by ligands has received particular attention in deriving valid ORR ***,the surface electronic structure of Ptbased noble metal aerogels(NMAs)was modulated by various organic ligands,among which the electron-withdrawing ligand of 4-methylphenylene effectively boosted the ORR *** calculations suggested the smaller energy barrier for the transformation of O^(*) to OH^(*) and downshift the d-band center of Pt due to the interaction between 4-methylphenylene and the surface metals,thus enhancing the ORR intrinsic *** Pt3Ni and Pt Pd aerogels with 4-methylphenylene decoration performed significant enhancement in ORR activity and durability in different ***,the 4-methylphenylene modified Pt Pd aerogel exhibited the higher halfwave potential of 0.952 V and the mass activity of 10.2 times of commercial Pt/*** work explained the effect of electronic structure on ORR electrocatalytic properties and would promote functionalized NMAs as efficient ORR electrocatalysts.

关键词： Noble metal aerogels Surface electronic structure ORR Electrocatalyst Organic ligands

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