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Metastability of π-π stacking between the closed-shell ions of like charges

Chinese Journal of Structural Chemistry 2024年第5期43卷 22-29页

作者： Jiayao Li Xinru Peng Shiwei Yin Changwei Wang Yirong mo Key Laboratory for Macromolecular Science of Shaanxi Province School of Chemistry&Chemical EngineeringShaanxi Normal UniversityXi'an710119China Department of Nanoscience Joint School of Nanoscience&NanoengineeringUniversity of North Carolina at GreensboroGreensboroNC 27401USA

Planar cations or anions can form stacks in crystals or solutions,where the surrounding or environment plays a decisive role as demonstrated in previous ***,it remains unclear whether these counterintuitive interactions possess any inherent stability or are thoroughly repulsive if the constraint of environment is *** this work,we explored the inherent stability ofπ-πstacking between closed-shell ions of like charges with prototypes derived from experimental *** inherent metastability was identified by the characteristic local minima and the transition states preventing their dissociation and verified by ab initio molecular dynamics(AIMD)*** nature of involved interactions was deciphered with the energy decomposition approach based on the block-localized wavefunction method(BLW-ED).Like the conventional neutralπ-πstacking interactions,electron correlation is the most attractive energy *** it is overturned by the Coulombic repulsion between net charges for all modes of dimerization,resulting in the overall repulsive inter-cation or anion *** from van der Waals interactions were also observed in the reduced density gradient *** origin of the metastability was elucidated by examining the contributions of individual physical factors to the *** inherent metastability originates from the electron correlation,which dramatically increases due to the enhanced overlap between ions from a transition state to its corresponding minimum.

关键词： π-πstacking interactions Metastability Valence bond theory Energy decomposition analysis Electron correlation

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High-precision X-ray characterization for basic materials in modern high-end integrated circuit

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Journal of Semiconductors 2024年第7期45卷 12-24页

作者： Weiran Zhao Qiuqi mo Li Zheng Zhongliang Li Xiaowei Zhang Yuehui Yu National Key Laboratory of Materials for Integrated Circuits Shanghai Institute of Microsystem and Information TechnologyChinese Academy of SciencesShanghai 200050China School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201204China Beijing Synchrotron Radiation Facility Institute of High Energy PhysicsChinese Academy of ScienceBeijing 100049China

Semiconductor materials exemplify humanity's unwavering pursuit of enhanced performance,efficiency,and functionality in electronic *** its early iterations to the advanced variants of today,this field has undergone an extraordinary *** the reliability requirements of integrated circuits continue to increase,the industry is placing greater emphasis on the crystal ***,conducting a range of characterization tests on the crystals has become *** paper will examine the correlation between crystal quality,device performance,and production yield,emphasizing the significance of crystal characterization tests and the important role of high-precision synchrotron radiation X-ray topography characterization in semiconductor ***,we will cover the specific applications of synchrotron radiation characterization in the development of semiconductor materials.

关键词： X-ray topography synchrotron radiation semiconductor materials crystal defects

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First identification of a novel Aichivirus D in goats with diarrhea

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Journal of Integrative Agriculture 2024年第4期23卷 1442-1446页

作者： Chen Yang Keha-mo Abi Hua Yue Falong Yang Cheng Tang College of Animal&Veterinary Sciences Southwest Minzu UniversityChengdu 610041China Key Laboratory of Qinghai-Tibetan Plateau Animal Genetic Resource Reservation and Utilization Chengdu 610041China

Kobuvirus comprises 6 officially recognized species,namely Aichivirus A-F,and can be further divided into 20 genotypes through VP1 gene phylogenetic analysis(https://***/report/chapter/picornaviridae/picornaviridae/kobuvirus).Aichivirus A in human,Aichivirus B in bovine,Aichivirus C in porcine and caprine,Aichivirus D in yak have been proved to be associated with diarrhea(Chen Y S et al.2013;Yang et al.2015;Zhu et al.2016;Zhai et al.2017;Wang et al.2020;Abi et al.2022;Yan et al.2023).

关键词： corn diarrhea official

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Unknown system dynamics estimator-based impedance control for lower limb exoskeleton with enhanced performance

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Control Theory and Technology 2024年第1期22卷 56-68页

作者： Wenhao Zhang Peng Song Mingying Wu Qiang Li Xinmin mo Pingxin Ji Northwest Institute of Mechanical and Electrical Engineering Xianyang712099ShaanxiChina Xi’an Exo-Smart Dynamics Technology Ltd. Xi’an712046ShaanxiChina Department of Mechanical and Engineering Beijing Institute of TechnologyBeijing100081China

In this article, an unknown system dynamics estimator-based impedance control method is proposed for the lower limb exoskeleton to stimulate the tracking flexibility with the terminal target position when suffering parametric inaccuracies and unexpected disturbances. To reinforce the robust performance, via constructing the filtering operation-based dynamic relation, i.e., invariant manifold, the unknown system dynamics estimators are employed to maintain the accurate perturbation identification in both the hip and knee subsystem. Besides, a funnel control technique is designed to govern the convergence process within a minor overshoot and a higher steady-state precision. Meanwhile, an interactive complaint result can be obtained with the aid of the impedance control, where the prescribed terminal trajectory can be adjusted into the interaction variable-based target position by the force–position mapping, revealing the dynamic influence between the impedance coefficient (stiffness and damping) and the adjusted position magnitude. A sufficient stability analysis verifies the ultimately uniformly bounded results of all the error signals, and even the angle errors can be regulated within the predefined funnel boundary in the whole convergence. Finally, some simulations are provided to demonstrate the validity and superiority including the enhanced interaction flexibility and robustness.

关键词： Trajectory tracking Invariant manifold Funnel control Impedance control Lower limb exoskeleton

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Development and parentage analysis of SNP markers for Chestnut-vented Nuthatch(Sitta nagaensis)based on ddRAD-seq data

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Avian Research 2024年第2期15卷 271-278页

作者： Qingmiao Yuan Xi Lu Ruixin mo Xianyin Xu Xu Luo Yubao Duan Key Laboratory for Conserving Wildlife with Small Populations in Yunnan Southwest Forestry UniversityKunming 650224China Key Laboratory for Forest Resources Conservation and Utilization in the Southwest mountains of China Ministry of EducationSouthwest Forestry UniversityKunming 650224China Key Laboratory of Forest Disaster Warning and Control of Yunnan Province Southwest Forestry UniversityKunming 650224China College of Forestry Southwest Forestry UniversityKunming 650224China Administration of Zixi mountain Provincial Nature Reserve Chuxiong 675008China

Extra-pair paternity(EPP)is commonly found in socially monogamous birds,especially in small passerine birds,and there are interspecific and intraspecific variations in the extent of *** Chestnut-vented Nuthatch(Sitta nagaensis)is a socially monogamous passerine bird,and verifying whether this species has EPP relies on parentage *** is not known to have *** this study,we developed SNP markers of this species that are informative for parentage analysis from double digest restriction site-associated DNA sequencing(ddRAD-seq)data.A panel consisting of 50 SNP markers,with a mean heterozygosity of 0.343,was used to resolve 95% of nestlings to *** combined exclusion probabilities for the first parent and second parent were 0.991 and 0.9999,*** panel of SNP markers is a powerful tool for parentage assignments in *** addition,we found that three offspring(7.9%)from three nests(23.1%)were the result of extra-pair fertilization out of 38 offspring in 13 *** study provided information on parentage analysis that has not been reported before in *** also supplemented the understudied EPP behavior of birds in Asia,contributing to a general understanding of the EPP behaviors of birds.

关键词： Chestnut-vented Nuthatch ddRAD sequencing Extra-pair paternity Parentage analysis SNPs

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Refined acoustic holography via nonlocal metasurfaces

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Science China(Physics,Mechanics & Astronomy) 2024年第7期67卷 113-123页

作者： Shuhuan Xie Hongyu Ma Junmei Cao Fangshuo mo Qian Cheng Yong Li Tong Hao Institute of Acoustics School of Physics Science and EngineeringTongji UniversityShanghai 200092China Center for Spatial Information Science and Sustainable Development Applications Tongji UniversityShanghai 200092China College of Surveying and Geo-Informatics Tongji UniversityShanghai 200092China

Holography can provide the desired wavefront phase and/or amplitude for imaging,particle manipulation,bacteria trapping,and cell patterning in optics and ***,previous work on acoustic holography is mostly based on local design optimization,either using active control of the sound source or relying on the structural design to provide the desired *** precise control over the acoustic field remains a significant ***,we realize refined single-plane symmetric binary amplitude,asymmetric intensity gradient amplitude,and bi-objective hologram through the non-local holographic imaging theory that considers the acoustic coupling of structural units in *** taking into account the self-radiation and mutual radiation between many small units on a plate of well-designed thickness,as well as the transmission through the plate's apertures,we can effectively regulate the sound field behind the *** demonstrate the effectiveness of our approach through numerical simulations and experiments,showcasing a circle,a black hole,and a bi-objective with a circle and a square ***,the acoustic black hole hologram precisely reconstructs the intensity gradient distribution at two bright *** non-local holographic imaging theory is valuable for the fine-intensity regulation of the sound field and is expected to be applied in ultrasound diagnosis and treatment,medical imaging,and other fields.

关键词： acoustic holograms non-local interactions fine intensity modulation acoustic metasurfaces

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Precise immobilization of metal single atoms into a porphyrinic metal-organic framework for an efficient alkene hydrosilylation

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Nano Research 2024年第7期17卷 5914-5921页

作者： Chun-Ying Chen Qi-Jie mo Fu-Zhen Li Hai-Li Song Li Zhang moE Laboratory of Bioinorganic and Synthetic Chemistry Lehn Institute of Functional MaterialsSchool of ChemistrySun Yat-Sen UniversityGuangzhou 510006China

Alkene hydrosilylation is one of the most concise and atom-economical methods to synthesize organosilicon ***,we reported the precise immobilization of metal single atoms(M-SAs;M=Ru,Rh,Ir,Pd,Pt,and Au)into a porphyrinic metalorganic framework(moF)of PCN-222(PCN=porous coordination network),and then applied the resultant moF composites of M-SAs@PCN-222 to alkene *** solvent-free conditions,Pt-SAs@PCN-222 displayed an especially high catalytic efficiency with the turnover frequency up to 119 s−1 and the maximum turnover number of 906,250 at room *** and theoretical studies revealed that there existed strong interactions between Pt-SAs@PCN-222 and the substrates,which helped to condense the substrates in the cavities of the porous *** density functional theory calculations and molecular dynamics simulations disclosed that PCN-222 could transfer electrons to Pt-SAs to enhance the silane oxidative addition and drive the reaction to proceed smoothly via Chalk–Harrod pathway.

关键词： alkene hydrosilylation single atom catalysts metal-organic frameworks precision chemistry synergistic catalysis

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Coupled CFD-DEM Numerical Simulation of the Interaction of a Flow-Transported Rag with a Solid Cylinder

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Fluid Dynamics & Materials Processing 2024年第7期20卷 1593-1609页

作者： Yun Ren Lianzheng Zhao Xiaofan mo Shuihua Zheng Youdong Yang Zhijiang College Zhejiang University of TechnologyShaoxing312030China College of Mechanical Engineering Zhejiang University of TechnologyHangzhou310032China

A coupled Computational Fluid Dynamics-Discrete Element Method(CFD-DEM)approach is used to calculate the interaction of a flexible rag transported by a fluid current with a fixed solid *** specifically a hybrid Eulerian-Lagrangian approach is used with the rag being modeled as a set of interconnected *** influence of various parameters is considered,namely the inlet velocity(1.5,2.0,and 2.5 m/s,respectively),the angle formed by the initially straight rag with the flow direction(45°,60°and 90°,respectively),and the inlet position(90,100,and 110 mm,respectively).The results show that the flow rate has a significant impact on the permeability of the *** higher the flow rate,the higher the permeability and the rag speed *** angle has a minor effect on rag permeability,with 45°being the most favorable angle for *** inlet position has a small impact on rag permeability,while reducing the initial distance between the rag an the cylinder makes it easier for rags to pass through.

关键词： Rag flow around cylinder flow characteristics numerical simulation

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Impact of oxaliplatin and trastuzumab combination therapy on tumor markers and T lymphocyte subsets for advanced gastric cancer

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World Journal of Gastrointestinal Oncology 2024年第9期16卷 3905-3912页

作者： Cheng-Wan Zheng Yun-mo Yang Hui Yang Department of Thyroid Surgery The Affiliated Hospital of Southwest Medical UniversityLuzhou 646000Sichuan ProvinceChina

BACKGROUND Advanced gastric cancer(AGC)remains a challenging malignancy with poor *** combination of oxaliplatin and trastuzumab has shown promising results in AGC *** study aimed to investigate the effects of oxaliplatin and trastuzumab combination therapy on serum tumor markers and T lymphocyte subsets in patients with AGC and to explore their potential as predictive biomarkers for treatment *** To investigate the impact of oxaliplatin and trastuzumab combination therapy on serum markers and T cell subsets in patients with *** This prospective study enrolled 60 patients with *** patients received oxaliplatin(130 mg/m^(2),every 3 weeks)and trastuzumab(8 mg/kg loading dose,followed by 6 mg/kg every 3 weeks)for six *** carcinoembryonic antigen(CEA),cancer antigen 19-9(CA19-9),and cancer antigen 72-4(CA72-4)were measured before and after treatment.T-lymphocyte subsets,including CD3+,CD4+,CD8+,and CD4+/CD8+ratios,were also *** clinical response was assessed using the Response Evaluation Criteria in Solid Tumors version *** After six cycles of treatment,the CEA,CA19-9,and CA72-4 serum levels significantly decreased compared to baseline levels(Pmor markers(≥50%reduction)and a higher increase in CD4+/CD8+ratio(≥1.5-fold)showed better clinical response rates(Pmor marker levels and modulated T lymphocyte subsets in patients with *** therapy not only has a direct antitumor effect,but also enhances the immune response in patients with *** tumor markers and T lymphocyte subsets may serve as potential predictive biomarkers for treatment respon

关键词： Advanced gastric cancer Oxaliplatin Trastuzumab Serum tumor markers T lymphocyte subsets Predictive biomarkers

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An efficient labeled memory system for learned indexes

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Fundamental Research 2024年第3期4卷 651-659页

作者： Yuxuan mo Jingnan Jia Pengfei Li Yu Hua Huazhong University of Science and Technology Wuhan 430074China

The appearance and wide use of memory hardware bring significant changes to the conventional vertical memory hierarchy that fails to handle contentions for shared hardware resources and expensive data *** deal with these problems,existing schemes have to rely on inefficient scheduling strategies that also cause extra temporal,spatial and bandwidth *** on the insights that the shared hardware resources trend to be uniformly and hierarchically offered to the requests for co-located applications in memory systems,we present an efficient abstraction of memory hierarchies,called Label,which is used to establish the connection between the application layer and underlying hardware *** on labels,our paper proposes LaMem,a labeled,resource-isolated and cross-tiered memory system by leveraging the way-based partitioning technique for shared resources to guarantee QoS demands of applications,while supporting fast and low-overhead cache repartitioning ***,we customize LaMem for the learned index that fundamentally replaces storage structures with computation models as a case study to verify the applicability of *** results demonstrate the efficiency and efficacy of LaMem.

关键词： Heterogeneous memory system Cache hierarchy Data movement Resource contention Learned index

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