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Exploring Sulfur Chemistry in TMC-1 with NSRT

Chinese Physics Letters 2024年第2期41卷 129-132页

作者： Wasim Iqbal Xiaohu Li Juan Tuo Ryszard Szczerba Yanan Feng Zhenzhen Miao Jiangchao yang Jixing Ge Gleb Fedoseev Donghui Quan Qiang Chang chuan-lu yang Tao yang Gao-Lei Hou Yong Zhang Xuan Fang Xia Zhang Fangfang Li Rong Ma Xiaomin Song Zhiping Kou Yuxuan Sun Xinjiang Astronomical Observatory Chinese Academy of SciencesUrumqi 830011China Xinjiang Key Laboratory of Radio Astrophysics Urumqi 830011China Key Laboratory of Radio Astronomy Chinese Academy of SciencesNanjing 210008China University of Chinese Academy of Sciences Beijing 100049China Nicolaus Copernicus Astronomical Center Rabia´nska 887-100 Toru´nPoland Research Laboratory for Astrochemistry Ural Federal UniversityKuibysheva St.48620026 EkaterinburgRussia Astronomical Computing Research Center Zhejiang LaboratoryHangzhou 311100China School of Physics and Optoelectronic Engineering Shandong University of TechnologyZibo 255000China School of Physics and Optoelectronic Engineering Ludong UniversityYantai 264025China State Key Laboratory of Precision Spectroscopy East China Normal UniversityShanghai 200062China MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter School of PhysicsXi’an Jiaotong UniversityXi’an 710049China School of Physics and Astronomy Sun Yat-sen UniversityGuangzhou 510275China Laboratory for Space Research Faculty of ScienceThe University of Hong KongHong KongChina National Astronomical Observatories Chinese Academy of SciencesBeijing 100012China

There have been several studies on sulfur depletion in dense cores like TMC-1(Taurus Molecular Cloud 1),employing updated reaction networks for sulfur species to explain the missing sulfur in the gas within dense *** of these studies used a C/O ratio of 0.7 or *** present NSRT(NanShan 26m Radio Telescope)observations of TMC-1 alongside results from time-dependent chemical simulations using an updated chemical *** findings highlight the impact of the C/O ratio on the gas-phase evolution of C2S and *** simulation results show that the C/O ratio is an important parameter,playing a fundamental role in determining the gas-phase abundances of sulfur species in dense cores.

关键词： sulfur Sulfur depletion

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Microscopic damage mechanism of SA508 Gr3 steel in ultra-high temperature creep

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Journal of Iron and Steel Research International 2018年第4期25卷 453-459页

作者： Zhi-gang Xie Yan-ming He Jian-guo yang Xiang-qing Li chuan-yang lu Zeng-liang Gao Institute of Process Equipment and Control Engineering Zhejiang University of Technology Hangzhou 310014 Zhejiang China Mechanical and Electrical Department Shantou Polytechnic College Shantou 515078 Guangdong China

The lower head of reactor pressure vessel （RPV） will endure a great temperature gradient above the phase transition temperature, and the creep and fracture will be the primary failure mode for the RPV material in such a situation. The interrupted creep tests were performed on a typical RPV material, SA508 Gr3 steel, at 800 ℃. The microstructure of different creep stages was examined by scanning electron microscopy and transmission electron microscopy. The results showed that the microscopic damage is mainly induced by creep cavities and coarse second-phase particles. Furthermore, the volume fractions of creep cavities and coarse second-phase particles show a linear relationship with the extended creep time. The second-phase particles are determined to be MoC in the second creep stage and Mo2C in the third creep stage, according to the results of selected-area electron diffraction pattern. Combined with energy-dispersive spectrum analysis, the segregation of precipitates caused by the migration of atoms is finally unveiled, which leads to the coarsening of the particles.

关键词： Reactor pressure vessel SA508 Gr3 steel In-vessel retention. Second-phase particle Damage mechanism Ultra-high temperature creep

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Molecular simulation study of the stabilization process of NEPE propellant

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Defence Technology（防务技术） 2023年第7期25卷 220-230页

作者： Ling-ze Kong Ke-hai Dong Ai-min Jiang chuan-lu yang Yan-hui Tang Yun-dong Xiao Department of Aircraft Engineering Naval Aviation UniversityYantai264001China School of Physics and Optoelectronic Engineering Ludong UniversityYantai264001China

In this reported study, the density functional theory(DFT) was used at the(U)B3LYP/6-311G(d,p) level to investigate the stabilization process of the nitrate ester plasticized polyether propellant(NEPE). Molecular simulations were conducted of the reaction that generates NO_(2), the autocatalytic and aging reaction triggered by the NO_(2), and the nitrogen dioxide absorption reaction of the stabilizers during the propellent stabilization process. These simulations were derived using the transition-state theory(TST)and variational transition-state theory(VTST). The simulation results suggested that the stabilization of the NEPE propellant consisted of three stages. First, heat and NO_(2) were generated during the denitrification reaction of nitroglycerine(NG) and 1,2,4-butanetriol trinitrate(BTTN) in the NEPE ***, nitroso products were generated by the reactions of N-Methyl-4-nitroaniline(MNA) and 2-nitrodiphenylamine(2NDPA) with NO_(2). Third, the stabilizers were exhausted and the autocatalytic reaction of NG and BTTN and the aging reaction of polyethylene glycol(PEG) were triggered by the heat and NO_(2)generated in the first stage. By comparing the energy barriers of the various reactions, it was found that the NO_(2)generated from the denitrification reaction significantly reduced the reaction energy barrier to 105.56-126.32 kJ/mol, also increased the reaction rate constant, and decreased the thermal stability and energetic properties of the NEPE propellant. In addition, the NO_(2)also weakened the mechanical properties of the NEPE propellant by attacking the-CH2groups and the O atoms in the PEG molecular chain. The energy barriers of the reactions of MNA and 2NDPA with NO_(2)(94.61-133.61 k J/mol) were lower than those of the autocatalytic and decomposition reactions of NG, BTTN, and the aging reactions of PEG(160.30-279.46 kJ/mol). This indicated that, by eliminating NO_(2), the stabilizer in the NEPE propellant can effectively prevent NO_(2)from

关键词： NEPE propellant Stabilizer Stabilization process Molecular simulation DFT VTST

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The polarization dependent differential cross sections of the reactions:H+LiH^+(v=0,j=0)→H_2+Li^+ and H^++ LiH(v=0,j=0)→H_2^++Li

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Chinese Chemical Letters 2010年第3期21卷 376-378页

作者： Xiao Hu Li Mei Shan Wang chuan lu yang Ling Zhi Ma Ning Ma Ji Cheng Wu School of Physics Ludong University Yantai 264025 China

Quasi-classical trajectory(QCT) calculations have been carried out to study the generalized polarization dependent differentialcross sections(PDDCSs) for the reactions H + LiH^+(v = 0,j = 0)→H_2 + Li^+ and H^+ + LiH(v = 0,j = 0)→H_2^+ + Li occurring onthe two lowest-lying electronic states of the LiH_2^+ system,using the ab initio potential energy surfaces(PESs) of Martinazzo et al.[3].Four PDDCSs,i.e.,(2π/σ)(dσ_(00)/dω_t),(2π/σ)(dσ_(20)/dω_t),(2π/σ)(dσ_(22+)/dω_t),(2π/σ)(dσ_(21-)/dω_t) have been discussed ...

关键词： Quasi-classical trajectory PDDCSs Stereodynamics Vector correlation

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Immediate implantation of ultrafine fiber slow-release system based on cell electrospinning to induce osteogenesis of mesenchymal stem cells

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Regenerative Biomaterials 2024年第2期3卷 76-87页

作者： Tao lu Long yang Zhuoyang Li Yin Liu Shun'en Xu chuan Ye Department of Orthopaedics The Affliated Hospital of Guizhou Medical UniversityGuiyang 550004China Department of Orthopaedics The First People's Hospital of GuiyangGuiyang 550004China Center for Tissue Engineering and Stem Cell Research Guizhou Medical UniversityGuiyang 550004China Department of Otolaryngology Head and Neck Surgery Xinqiao HospitalArmy Medical University(Third Military Medical University)Chongqing 400037China Department of Dental implant Stomatological Hospital of GuiyangGuiyang 550000China

This study presents the development and evaluation of a poly(3-hydroxybutyrate-co-4-hydroxybutyrate)(P34HB)ultrafine fiber slow-release system for in vivo osteogenic induction of human umbilical cord mesenchymal stem cells(HUCMSCs).Utilizing dual-nozzle and cell electrospinning techniques,the system encapsulates L-ascorbic acid-2-phosphate magnesium(AsP),βB-glycerophosphate sodium and dexamethasone(DEX)within the'fbers,ensuring sustained osteogenic *** scaffold's morphology,characterization,hydrophilicity,mechanical properties and cellular behavior were *** subcutaneous implantation in rabbits was con-ducted to observe its ectopic osteogenic induction *** fabricated P34HB ultrafine fiber slow-release *** ization *** distribution of HUCMSCs and inducing components within the scaffold,with no chemical reactions affecting the active *** vitro tests showcased a prolonged release of DEX and ASP,while biocompatibility assays highlighted the scaffold's suitability for cellular *** Red,type I collagen,and osteopontin(OPN)staining verifed the scaffold's potent osteogenic induction effect on ***,immediate implantation into New Zealand White rabbits led to significant new bone formation within 8 *** findings underscore the system's potential for immediate in vivo implantation without prior in vitro induction,marking a promising advancement in bone tissue engineering.

关键词： bone tissue engineering cell electrospinning in vivo induction immediate implantation biomaterials

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Hydrogel loaded with bone marrow stromal cell-derived exosomes promotes bone regeneration by inhibiting inflammatory responses and angiogenesis

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World Journal of Stem Cells 2024年第5期16卷 499-511页

作者： Shuai Zhang chuan lu Sheng Zheng Guang Hong Division for International Collaborative and Innovative Dentistry Tohoku University Graduate School of DentistrySendai 980-8575MiyagiJapan School of Stomatology Zhejiang Chinese Medical UniversityHangzhou 310053Zhejiang ProvinceChina

BACKGROUND Bone healing is a complex process involving early inflammatory immune regu-lation,angiogenesis,osteogenic differentiation,and *** repair poses challenges for orthopedic surgeons,necessitating the search for efficient healing *** To investigate the underlying mechanism by which hydrogel-loaded exosomes derived from bone marrow mesenchymal stem cells(BMSCs)facilitate the process of fracture *** Hydrogels and loaded BMSC-derived exosome(BMSC-exo)gels were charac-terized to validate their *** vitro evaluations were conducted to assess the impact of hydrogels on various stages of the healing *** could recruit macrophages and inhibit inflammatory responses,enhance of human umbilical vein endothelial cell angiogenesis,and promote the osteogenic differen-tiation of primary cranial ***,the effect of hydrogel on fracture healing was confirmed using a mouse fracture *** The hydrogel effectively attenuated the inflammatory response during the initial repair stage and subsequently facilitated vascular migration,promoted the formation of large vessels,and enabled functional vascularization during bone *** effects were further validated in fracture *** We successfully fabricated a hydrogel loaded with BMSC-exo that modulates macrophage polarization and angiogenesis to influence bone regeneration.

关键词： Hydrogel Bone marrow mesenchymal stem cells Macrophage polarization Angiogenesis Bone regeneration

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Spin transport properties and spin logic gates in manganese phthalocyanine-based molecular combinational circuits

Spin transport properties and spin logic gates in manganese ...

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第七届全国计算原子与分子物理学术会议

作者： Wenkai Zhao Dongqing Zou chuan-lu yang Zhaopeng Sun School of Physics and Optoelectronics Engineering Ludong University School of Physics State Key Laboratory of Crystal Materials Shandong University

＜正＞Spintronic devices are very important for futuristic information *** using nonequilibrium Green’s functions in combination with density functional theory,we investigate the spin transport properties of manganese phthalocyanine（MnPc）-based spintronic devices constructed from MnPc connected in series or parallel with

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PICOTEES:a privacy-preserving online service of phenotype exploration for genetic-diagnostic variants from Chinese children cohorts

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Journal of Genetics and Genomics 2024年第2期51卷 243-251页

作者： Xinran Dong Yulan lu Lanting Guo chuan Li Qi Ni Bingbing Wu Huijun Wang Lin yang Songyang Wu Qi Sun Hao Zheng Wenhao Zhou Shuang Wang Center for Molecular Medicine Children's Hospital of Fudan UniversityShanghai 201102China Key Laboratory of Birth Defects Children's Hospital of Fudan UniversityShanghai 201102China Department of Bioinformatics Hangzhou Nuowei Information Technology Co.LtdHangzhouZhejiang 310000China The Third Research Institute of the Ministry of Public Security Shanghai 200031China Xiamen Campus of Children's Hospital of Fudan University XiamenFujian 361006China Institutes for Systems Genetics West China HospitalChengduSichuan 610041China Shanghai Putuo People's Hospital Tongji UniversityShanghai 200060China

The growth in biomedical data resources has raised potential privacy concerns and risks of genetic information leakage. For instance, exome sequencing aids clinical decisions by comparing data through web services, but it requires significant trust between users and providers. To alleviate privacy concerns, the most commonly used strategy is to anonymize sensitive data. Unfortunately, studies have shown that anonymization is insufficient to protect against reidentification attacks. Recently, privacy-preserving technologies have been applied to preserve application utility while protecting the privacy of biomedical data. We present the PICOTEES framework, a privacy-preserving online service of phenotype exploration for genetic-diagnostic variants (https://***:3000/). PICOTEES enables privacy-preserving queries of the phenotype spectrum for a single variant by utilizing trusted execution environment technology, which can protect the privacy of the user's query information, backend models, and data, as well as the final results. We demonstrate the utility and performance of PICOTEES by exploring a bioinformatics dataset. The dataset is from a cohort containing 20,909 genetic testing patients with 3,152,508 variants from the Children's Hospital of Fudan University in China, dominated by the Chinese Han population (>99.9%). Our query results yield a large number of unreported diagnostic variants and previously reported pathogenicity.

关键词： Privacy protecti on Rare diseases in children Genetic testing Web system Trusted executi on envir onment

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Enantioselective Synthesis of Benzimidazole Atropisomers Featuring a N-N Axis

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Chinese Journal of Chemistry 2024年第7期42卷 711-718页

作者： Fang-Bei Ge Qi-Kun Yin chuan-Jun lu Xuan Xuan Jia Feng Ren-Rong Liu College of Chemistry and Chemical Engineering Qingdao UniversityQingdaoShandong 266071China School of Pharmacy Key Laboratory of Molecular Pharmacology and Drug EvaluationMinistry of EducationYantai UniversityYantaiShandong 264005China

Atroposelective synthesis of N-N atropisomers is an emerging area but remains underexplored;in particular,the synthesis of N-N benzimidazole atropisomers is still ***,the first enantioselective synthesis of N-N benzimidazole atropisomers via the palladium-catalyzed de novo construction of benzimidazole skeleton is *** readily available palladium catalyst and biphosphine ligand,a broad range of nonbiaryl benzimidazole and indole-benzimidazole atropisomers were conveniently ac-cessed in high yields and with excellent ***,these N-N benzimidazole atropisomers showed great anti-tumor activity and selectivity to breast cancer MCF-7 *** simple catalytic system,broad substrate scope,high enantioselectivi-ty,and good bioactivity make this approach highly attractive.

关键词： Asymmetric synthesis Atropisomerism Palladium Benzimidazole Antitumor

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Delivery room resuscitation intensity and associated neonatal outcomes of 24^(+0)-31^(+6) weeks'preterm infants in China:a retrospective cross-sectional study

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World Journal of Pediatrics 2024年第1期20卷 64-72页

作者： Si-lu Wang Chun Chen Xin-Yue Gu Zhao-Qing Yin Le Su Si-Yuan Jiang Yun Cao Li-Zhong Du Jian-Hua Sun Jiang-Qin Liu chuan-Zhong yang Department of Neonatology Shanghai Key Laboratory of Maternal Fetal MedicineShanghai Institute of Maternal-Fetal Medicine and Gynecologic OncologyShanghai First Maternity and Infant HospitalSchool of MedicineTongji UniversityNo.2699Gaoke Western RoadPudong DistrictShanghai 201204China Department of Neonatology Affiliated Shenzhen Maternity and Child Healthcare HospitalSouthern Medical UniversityNo.2004Hongli RoadFutian DistrictShenzhen 518028China NHC Key Laboratory of Neonatal Diseases Fudan UniversityChildren's Hospital of Fudan UniversityShanghaiChina Department of Neonatology People's Hospital of DehongKunming Medical UniversityDehongChina Department of Neonatology Children's Hospital of Fudan UniversityShanghaiChina Department of Neonatology Children's HospitalZhejiang University School of MedicineHangzhouChina Department of Neonatology Shanghai Children's Medical CenterSchool of MedicineShanghai Jiao Tong UniversityShanghaiChina

Background The aim of this study was to review current delivery room(DR)resuscitation intensity in Chinese tertiary neonatal intensive care units and to investigate the association between DR resuscitation intensity and short-term outcomes in preterm infants born at 24+0_31+6 weeks gestation age(GA).Methods This was a retrospective cross-sectional *** source population was infants born at 24+0_31+6 weeks'GA who were enrolled in the Chinese Neonatal Network 2019 *** infants were categorized into five groups:(1)regular care;(2)oxygen supplementation and/or continuous positive airway pressure(O2/CPAP);(3)mask ventilation;(4)endotracheal intubation;and(5)cardiopulmonary resuscitation(CPR).The association between DR resuscitation and shortterm outcomes was evaluated by inverse propensity score-weighted logistic *** Of 7939 infants included in this cohort,2419(30.5%)received regular care,1994(25.1%)received O,/CPAP,1436(18.1%)received mask ventilation,1769(22.3%)received endotracheal intubation,and 321(4.0%)received CPR in the *** maternal age and maternal hypertension correlated with a higher need for resuscitation,and antenatal steroid use tended to be associated with a lower need for resuscitation(P<0.001).Severe brain impairment increased significantly with increasing amounts of resuscitation in DR after adjusting for perinatal *** strategies vary widely between centers,with over 50%of preterm infants in eight centers requiring higher intensity *** Increased intensity of DR interventions was associated with increased mortality and morbidities in very preterm infants in *** is wide variation in resuscitative approaches across delivery centers,and ongoing quality improvement to standardize resuscitation practices is needed.

关键词： Cardiopulmonary resuscitation Delivery room Endotracheal intubation Neonatal resuscitation Preterm

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