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LaCu_(2)O_(n)^(-/0)(n=4,5)团簇的负离子光电子能谱和量子化学计算:氧单元与LaCu_(2)O_(3)六元环的相互作用
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作者 闫帅廷 徐西玲 +1 位作者 许洪光 郑卫军 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2024年第2期313-320,I0005-I0009,I0103,I0104,共15页
本文采用负离子光电子能谱实验与理论计算相结合对-铜氧化物团簇LaCu_(2)O_(n-/0)(n=4,5)进行研究,测得LaCu_(2)O_(4)^(-)和LaCu_(2)O_(5)^(-)电子垂直脱附能的实验值分别为3.70和3.79eV.理论计算表明,LaCu_(2)O_(4),5-团簇的基态最稳... 本文采用负离子光电子能谱实验与理论计算相结合对-铜氧化物团簇LaCu_(2)O_(n-/0)(n=4,5)进行研究,测得LaCu_(2)O_(4)^(-)和LaCu_(2)O_(5)^(-)电子垂直脱附能的实验值分别为3.70和3.79eV.理论计算表明,LaCu_(2)O_(4),5-团簇的基态最稳定结构均以一个LaCu_(2)O_(3)六元环结构为主体,再由一个额外的氧原子或超氧单元与其中的镧原子结合.在LaCu_(2)O_(4)^(-)团簇中,外接的氧原子与LaCu_(2)O_(3)六元环结构之间主要呈现出共价相互作用.而在LaCu_(2)O_(5)^(-)团簇中,超氧单元与LaCu_(2)O_(3)六元环之间存在以诱导力为主导的弱相互作用. 展开更多
关键词 量子化学计算 光电子能谱 尺寸选择
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Modification of Reflectron Time-of-Flight Mass Spectrometer for Photodissociation of Mass-Selected Cluster lons 被引量:3
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作者 Yu-chao Zhao Zeng-guang Zhang +2 位作者 Jin-yun Yuan hong-guang xu Wei-jun Zheng 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2009年第6期655-662,J0002,共9页
We introduce a modification of reflectron time-of-flight mass spectrometer for laser photodissociation of mass-selected ions. In our apparatus, the ions of interests were selected by a mass gate near the first space f... We introduce a modification of reflectron time-of-flight mass spectrometer for laser photodissociation of mass-selected ions. In our apparatus, the ions of interests were selected by a mass gate near the first space focus point and decelerated right after the mass gate, were then crossed by a laser beam for dissociation. The daughter ions and surviving parent ions were re-accelerated and analyzed by the reflectron time-of-flight mass spectrometer. Compared to the designs reported by other research groups, our selection-deceleration-dissociation-reacceleration approach has better daughter-parent-ions-separation, easier laser timing, and better overlapping between the ion beam and laser beam. We also conducted detailed cal- culations on the parent ion and daughter ion flight times, and provided a simplified formula for the calibration of daughter ion mass. 展开更多
关键词 Reflectron time-of-flight mass spectrometer PHOTODISSOCIATION Mass-selection CLUSTER
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Full-endoscopic spine surgery treatment of lumbar foraminal stenosis after osteoporotic vertebral compression fractures:A case report 被引量:2
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作者 Quan-Lai Zhao Kun-Peng Hou +2 位作者 Zhong-xuan Wu Liang Xiao hong-guang xu 《World Journal of Clinical Cases》 SCIE 2022年第2期656-662,共7页
BACKGROUND Few reports have described lumbar foraminal stenosis-induced radiculopathy after treatment by full-endoscopic spine surgery(FESS)combined with percutaneous vertebroplasty(PVP)in patients with vertebral comp... BACKGROUND Few reports have described lumbar foraminal stenosis-induced radiculopathy after treatment by full-endoscopic spine surgery(FESS)combined with percutaneous vertebroplasty(PVP)in patients with vertebral compression fractures.We herein report such a case,including the patient’s treatment process and doctor’s surgical experience.CASE SUMMARY A 79-year-old man presented with symptoms of radiculopathy after sustaining L4 vertebral compression fractures.Imaging and physical examination revealed L4 vertebral compression fractures combined with L3/4 Lumbar foraminal stenosis(LFS).The patient’s symptoms were low back pain with pain in the lateral left leg.Although many reports have described radiculopathy induced by osteoporotic vertebral compression fractures,the use of FESS combined with PVP has rarely been reported.This case report indicates that the combination of FESS and PVP is a safe and effective approach for the treatment of LFS-induced radiculopathy after vertebral compression fractures.This minimally invasive technique has great potential to replace traditional lumbar fixation and decompression surgery.Thus,we suggest the continued accumulation of similar cases to discuss the wider application of FESS.CONCLUSION For patients with osteoporotic vertebral compression fracture(OVCF)and LFS,PVP and FESS can be used to restore the vertebral height and reduce the pressure around the intervertebral foramen.Additionally,the combination of FESS and PVP can treat the pain or numbness of the low back and lower limbs and allow for recovery in a short time with excellent postoperative effects.In general,FESS is a good treatment for radiculopathy caused by foraminal stenosis after OVCF. 展开更多
关键词 Osteoporotic vertebral compression fracture Lumbar foraminal stenosis Percutaneous vertebroplasty Full-endoscopic spine surgery RADICULOPATHY Case report
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A novel tissue engineered nerve graft constructed with autologous vein and nerve microtissue repairs a longsegment sciatic nerve defect 被引量:1
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作者 Jing Wang Ya-Qiong Zhu +14 位作者 Yu Wang hong-guang xu Wen-Jing xu Yue-Xiang Wang Xiao-Qing Cheng Qi Quan Yong-Qiang Hu Chang-Feng Lu Yan-xu Zhao Wen Jiang Chen Liu Liang Xiao Wei Lu Chen Zhu Ai-Yuan Wang 《Neural Regeneration Research》 SCIE CAS CSCD 2021年第1期143-149,共7页
Veins are easy to obtain,have low immunogenicity,and induce a relatively weak inflammatory response.Therefore,veins have the potential to be used as conduits for nerve regeneration.However,because of the presence of v... Veins are easy to obtain,have low immunogenicity,and induce a relatively weak inflammatory response.Therefore,veins have the potential to be used as conduits for nerve regeneration.However,because of the presence of venous valves and the great elasticity of the venous wall,the vein is not conducive to nerve regeneration.In this study,a novel tissue engineered nerve graft was constructed by combining normal dissected nerve microtissue with an autologous vein graft for repairing 10-mm peripheral nerve defects in rats.Compared with rats given the vein graft alone,rats given the tissue engineered nerve graft had an improved sciatic static index,and a higher amplitude and shorter latency of compound muscle action potentials.Furthermore,rats implanted with the microtissue graft had a higher density and thickness of myelinated nerve fibers and reduced gastrocnemius muscle atrophy compared with rats implanted with the vein alone.However,the tissue engineered nerve graft had a lower ability to repair the defect than autogenous nerve transplantation.In summary,although the tissue engineered nerve graft constructed with autologous vein and nerve microtissue is not as effective as autologous nerve transplantation for repairing long-segment sciatic nerve defects,it may nonetheless have therapeutic potential for the clinical repair of long sciatic nerve defects.This study was approved by the Experimental Animal Ethics Committee of Chinese PLA General Hospital(approval No.2016-x9-07)on September 7,2016. 展开更多
关键词 in vivo INJURY motor neurological function peripheral nerve injury rat recovery REGENERATION repair
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Structural Evolution and Electronic Properties of Au2Gen-/0(n=1-8) Clusters: Anion Photoelectron Spectroscopy and Theoretical Calculations
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作者 Sheng-Jie Lu hong-guang xu +1 位作者 Xi-Ling xu Wei-Jun Zheng 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2019年第2期229-240,I0003,共13页
Investigating the structures and properties of Au-Ge mixed clusters can give insight into the microscopic mechanisms in gold-catalyzed Ge films and can also provide valuable information for the production of germanium... Investigating the structures and properties of Au-Ge mixed clusters can give insight into the microscopic mechanisms in gold-catalyzed Ge films and can also provide valuable information for the production of germanium-based functional materials. In this work, size-selected anion photoelectron spectroscopy and theoretical calculations were used to explore the structural evolution and electronic properties of Au2Gen^-/0 (n=1-8) clusters. It is found that the two Au atoms in Au2Gen^-/0 (n=1-8) showed high coordination numbers and weak aurophilic interactions. The global minima of Au2Gen- anions and Au2Gen neutrals are in spin doublet and singlet states, respectively. Au2Gen- anions and Au2Gen neutrals showed similar structural features, except for Au2Ge4^-/0 and Au2Ge5^-/0. The C2v symmetric V-shaped structure is observed for Au2Ge1^-/0, while Au2Ge2^-/0 has a C2v symmetric dibridged structure. Au2Ge3^-/0 can be viewed as the two Au atoms attached to different Ge-Ge bonds of Ge3 triangle. Au2Ge4- has two Au atoms edge-capping Ge4 tetrahedron, while Au2Ge4 neutral adopts a C2v symmetric double Au atoms face-capping Ge4 rhombus. Au2Ge5-8^-/0 show triangular, tetragonal, and pentagonal prism-based geometries. Au2Ge6 adopts a C2v symmetric tetragonal prism structure and exhibits σ plus π double bonding characters. 展开更多
关键词 Photoelectron spectroscopy Transition metal Germanium cluster Structural evolution Quantum chemical calculations
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Anion Photoelectron Spectroscopy and Density Functional Theory Studies of AuC_(n)^(-/0)(n=3-8):Odd-Even Alternation in Electron Binding Energies and Structures
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作者 Peng Wang Shuai-Ting Yan +2 位作者 hong-guang xu Xi-Ling xu Wei-Jun Zheng 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2022年第1期177-184,I0035-I0040,I0064,共15页
We measured the photoelectron spectra of AuC_(n)^(-)(n=3-8)and conducted theoretical study on the structures and properties of AuC_(n)^(-/0)(n=3-8).It is found that the photoelectron spectra of AuC_(n)^(-)exhibit odd-... We measured the photoelectron spectra of AuC_(n)^(-)(n=3-8)and conducted theoretical study on the structures and properties of AuC_(n)^(-/0)(n=3-8).It is found that the photoelectron spectra of AuC_(n)^(-)exhibit odd-even alternation.The spectral features of AuC_(3)^(-),AuC_(5)^(-),and AuC_(7)^(-)are much broader than those of AuC_(4)^(-),AuC_(6)^(-),and AuC_(5)^(-).The vertical detachment energies of AuC_(3)^(-),AuC_(5)^(-),and AuC_(7)^(-)are lower than those of AuC_(4)^(-),AuC_(6)^(-),and AuCs_(8)^(-).The most stable structures of AuC_(n)^(-)(n=3-8)are chain structures.The most stable structures of neutral AuC_(n)(n=3-8)are linear structures except that those of AuC_(3) and AuC_(5) are slightly bent.The calculated∠AuCC angles,Au-C bond lengths,and the charges on Au atom also show odd-even alternations,consistent with the experimental observations. 展开更多
关键词 Gold carbides Photoelectron spectroscopy Density functional theory Odd-even alternation
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Photoelectron Spectroscopy and Density Functional Theory Calculations of Binary VnC30/-(n=1-6) Clusters
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作者 Jinyun Yuan Peng Wang +5 位作者 Xiling xu Yonghui Zhang Linghao He hong-guang xu Gao-Lei Hou Wei-Jun Zheng 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2022年第6期907-915,I0039-I0054,I0073,共26页
Transition metal carbides have been shown to exhibit good catalytic performance that depends on their compositions and morphologies,and understanding such catalytic properties requires knowledge of their precise geome... Transition metal carbides have been shown to exhibit good catalytic performance that depends on their compositions and morphologies,and understanding such catalytic properties requires knowledge of their precise geometry,determination of which is challenging,particularly for clusters formed by multiple elements.In this study,we investigate the geometries and electronic structures of binary V_(n)C_(3)-(n=1-6)clusters and their neutrals using photoelectron spectroscopy and theoretical calculations based on density functional theory.The adiabatic detachment energies of V_(n)C_(3)-,or equally,the electron affinities of V_(n)C_(3),have been determined from the measured photoelectron spectra.Theoretical calculations reveal that the carbon atoms become separate when the number of V atoms increases in the clusters,i.e.,the C-C interactions present in small clusters are replaced by V-C and/or V-V interactions in larger ones.We further explore the composition dependent formation of cubic or cube-like structures in 8-atom VnCm(n+m=8)clusters. 展开更多
关键词 Vanadium carbide cluster Photoelectron spectroscopy Density functional theory Cubic or cube-like structure
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Structural and Bonding Properties of Al_(n)C_(4)^(−/0)(n=2−4)Clusters:Anion Photoelectron Spectroscopy and Theoretical Calculations
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作者 Chao-jiang Zhang Shuai-ting Yan +2 位作者 hong-guang xu Xi-ling xu Wei-jun Zheng 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2021年第6期769-776,I0002,I0003,I0053-I0055,共13页
We measured the photoelectron spectra of Al_(n)C_(4)^(−)(n=2−4)clusters by using size-selected anion photoelectron spectroscopy.The structures of Al_(n)C_(4)^(−/0)(n=2−4)clusters were explored with quantum chemistry c... We measured the photoelectron spectra of Al_(n)C_(4)^(−)(n=2−4)clusters by using size-selected anion photoelectron spectroscopy.The structures of Al_(n)C_(4)^(−/0)(n=2−4)clusters were explored with quantum chemistry calculations and were determined by comparing the theoretical results with the experimental spectra.It is found that the most stable structure of Al_(2)C_(4)^(−) anion is a C_(2v)symmetry planar structure with two Al atoms interacting with two C_(2)units.In addition,Al_(2)C_(4)^(−) anion also has a D∞h symmetry linear structure with two Al atoms located at the two ends of a C_(4)chain,which is slightly higher in energy than the planar structure.The most stable structure of neutral Al_(2)C_(4)has a D∞h symmetry linear structure.The most stable structure of Al_(3)C_(4)^(−) anion is a planar structure with three Al atoms interacting with two C_(2)units.Whereas neutral Al_(3)C_(4)cluster has a C_(2v)symmetric V-shaped bent structure.The global minima structures of both Al_(4)C_(4)^(−) and neutral Al_(4)C_(4)are C_(2)h symmetry planar structures with four Al atoms interacting with the ends of two C_(2)units.Adaptive natural density partitioning analyses of Al_(n)C_(4)^(−)(n=2−4)clusters show that the interactions between the Al atoms and C_(2)units have bothσandπcharacters. 展开更多
关键词 Anion photoelectron spectroscopy Quantum chemistry calculations Planar aluminum-carbon structures
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An analysis in metal barcode label design for reference
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作者 Yin ZHAO hong-guang xu Qin-yu ZHANG 《Frontiers of Information Technology & Electronic Engineering》 SCIE EI CSCD 2016年第2期173-184,共12页
We employ nondestructive evaluation involving AC field measurement in detecting and identifying metal barcode labels,providing a reference for design.Using the magnetic scalar potential boundary condition at notches i... We employ nondestructive evaluation involving AC field measurement in detecting and identifying metal barcode labels,providing a reference for design.Using the magnetic scalar potential boundary condition at notches in thin-skin field theory and 2D Fourier transform,we introduce an analytical model for the magnetic scalar potential induced by the interaction of a high-frequency inducer with a metal barcode label containing multiple narrow saw-cut notches,and then calculate the magnetic field in the free space above the metal barcode label.With the simulations of the magnetic field,qualitative analysis is given for the effects on detecting and identifying metal barcode labels,which are caused by metal material,notch characteristics,exciting inducer properties,and other factors that can be used in metal barcode label design as reference.Simulation results are in good accordance with experiment results. 展开更多
关键词 Metal barcode label Signal detection AC field measurement Internet of things
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