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

结构化学 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 of π-π stacking 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 neutral π-π stacking 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-π stacking interactions Metastability Valence bond theory Energy decomposition analysis Electron correlation

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基于Distance-2算法的并行Jacobian矩阵计算及其在耦合问题中的应用

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原子能科学技术 2024年第6期58卷 1201-1209页

作者：刘礼勋张汉彭心茹窦沁榕邬颖杰郭炯李富清华大学核能与新能源技术研究院先进反应堆工程与安全教育部重点实验室北京100084

并行Newton-Krylov方法是求解大规模多物理耦合问题的有效方法,如何高效自动计算Jacobian矩阵是一大难点。利用有限差分方法,可避免推导Jacobian矩阵的表达式,实现矩阵的自动计算。现有工作表明,在串行环境下利用矩阵的稀疏性和图着色算... 详细信息

并行Newton-Krylov方法是求解大规模多物理耦合问题的有效方法,如何高效自动计算Jacobian矩阵是一大难点。利用有限差分方法,可避免推导Jacobian矩阵的表达式,实现矩阵的自动计算。现有工作表明,在串行环境下利用矩阵的稀疏性和图着色算法,Jacobian矩阵的计算效率可提高至少1个量级。但在并行环境下,串行着色算法失效,需采用相应的并行着色算法。本研究将图论领域的Distance-2算法应用于Jacobian矩阵的并行着色。通过求解一个简化多物理耦合问题检验了该并行算法的正确性和计算效率。测试结果表明,该并行算法得到的Jacobian矩阵完全正确;着色数随着并行核数的增加略微有所增加,100个进程下并行效率为56%;基于该算法求解多物理耦合问题,其计算时间和Krylov迭代次数较JFNK减少了约1/2。

关键词： Newton-Krylov方法稀疏Jacobian矩阵图着色有限差分分布式并行计算

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Cognitive Navigation for Intelligent Mobile Robots:A Learning-Based Approach With Topological Memory Configuration

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IEEE/CAA Journal of Automatica Sinica 2024年第9期11卷 1933-1943页

作者： Qiming Liu xinru Cui Zhe Liu Hesheng Wang Department of Automation Shanghai Jiao Tong UniversityShanghai 200240China MoE Key Laboratory of Artificial Intelligence AI InstituteShanghai Jiao Tong UniversityShanghai 200240China Department of Automation Key Laboratory of System Control and Information Processing of Ministry of EducationKey Laboratory of Marine Intelligent Equipment and System of Ministry of EducationShanghai Engineering Research Center of Intelligent Control and ManagementShanghai Jiao Tong UniversityShanghai 200240China

Autonomous navigation for intelligent mobile robots has gained significant attention,with a focus on enabling robots to generate reliable policies based on maintenance of spatial *** this paper,we propose a learning-based visual navigation pipeline that uses topological maps as memory *** introduce a unique online topology construction approach that fuses odometry pose estimation and perceptual similarity *** tackles the issues of topological node redundancy and incorrect edge connections,which stem from the distribution gap between the spatial and perceptual ***,we propose a differentiable graph extraction structure,the topology multi-factor transformer(TMFT).This structure utilizes graph neural networks to integrate global memory and incorporates a multi-factor attention mechanism to underscore elements closely related to relevant target cues for policy *** from photorealistic simulations on image-goal navigation tasks highlight the superior navigation performance of our proposed pipeline compared to existing memory *** validation through behavior visualization,interpretability tests,and real-world deployment further underscore the adapt-ability and efficacy of our method.

关键词： Graph neural networks(GNNs) spatial memory topological map visual navigation

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Galectin 2 regulates JAK/STAT3 signaling activity to modulate oral squamous cell carcinoma proliferation and migration in vitro

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BIOCELL 2024年第5期48卷 793-801页

作者： xinru FENG LI XIAO Medical School University of Electronic Science and Technology of ChinaChengdu610072China Department of Stomatology Sichuan Provincial People’s HospitalUniversity of Electronic Science and Technology of ChinaChengdu610072China

Background:Galectin 2(LGALS2)is a protein previously reported to serve as a mediator of disease progression in a range of *** function of LGALS2 in oral squamous cell carcinoma(OSCC),however,has yet to be explored,prompting the present study to address this literature ***:Overall,144 paired malignant tumor tissues and paracancerous OSCC patient samples were harvested and the LGALS2 expression levels were examined through qPCR and western *** LGALS2 coding sequence was introduced into the pcDNA3.0 vector,to enable the overexpression of this gene,while an LGALS2-specific shRNA and corresponding controls were also *** functionality of LGALS2 as a regulator of the ability of OSCC cells to grow and undergo apoptotic death in vitro was assessed through EdU uptake and CCK-8 assays,and flow cytometer,whereas a Transwell system was used to assess migratory activity and *** agonist of the Janus Kinase 2(JAK2)/Signal Transducer and Activator of Transcription 3(STAT3)pathway was also used to assess the role of this pathway in the context of LGALS2 ***:Here,we found that lower LGALS2 protein and mRNA expression were evident in OSCC tumor tissue samples,and these expression levels were associated with clinicopathological characteristics and patient survival *** LGALS2 enhanced proliferation in OSCC cells while rendering these cells better able to resist *** opposite was instead observed after LGALS2 was ***,the ability of LGALS2 to suppress the progression of OSCC was related to its ability to activate the JAK/STAT3 signaling ***:Those results suggest a role for LGALS2 as a suppressor of OSCC progression through its ability to modulate JAK/STAT3 signaling,supporting the potential utility of LGALS2 as a target for efforts aimed at treating OSCC patients.

关键词： LGALS2 Oral squamous cell carcinoma(OSCC) Janus Kinase 2/Signal Transducer and Activator of Transcription 3(JAK2-STAT3) Progression

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Eutectogel-based self-powered wearable sensor for health monitoring in harsh environments

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Nano Research 2024年第6期17卷 5559-5568页

作者： Junpeng Wu xinru Teng Lu Liu Hongzhi Cui Xiaoyi Li College of Materials Science and Engineering Ocean University of ChinaQingdao 266100China Key Lab for Special Functional Materials of Ministry of Education School of Materials Science and EngineeringHenan UniversityKaifeng 475004China

Triboelectric nanogenerators(TENG)have emerged as a highly promising energy harvesting technology,attracting significant attention in recent years for their broad ***-based TENGs,with superior stretchability and sensitivity,have been widely reported as wearable ***,the traditional hydrogel-based TENGs suffer from freezing at low temperatures and drying at high temperatures,resulting in *** this study,we introduce an anti-freezing eutectogel,which uses a deep eutectic solvent(DES),to improve the stability and electrical conductivity of TENGs in harsh environmental *** eutectogel-based TENG(E-TENG)produces an open-circuit voltage of 776 V,a short-circuit current of 1.54μA,and a maximum peak power of 1.1 ***,the E-TENG exhibits exceptional mechanical properties with an elongation at a break of 476%under ***,it maintains impressive performances across a wide temperature range from−18 to 60℃,with conductivities of 2.15 S/m at−10℃and 1.75 S/m at−18℃.Based on the excellent weight stability of the E-TENG sensor,motion sensing can be achieved in the air,and even ***,the versatility of the E-TENG can serve as a wearable sensor,by integrating it with Bluetooth *** self-powered E-TENG can monitor various human motion signals in real-time and send the health signals directly to mobile *** research paves a new road for the applications of TENGs in harsh environments,offering wireless flexible sensors with real-time health signal monitoring capabilities.

关键词： triboelectric nanogenerators self-powered harsh environment health monitoring Eutectogel

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A Multi-Token Sector Antenna Neighbor Discovery Protocol for Directional Ad Hoc Networks

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China Communications 2024年第7期21卷 149-168页

作者： Zhang Hang Li Bo Yan Zhongjiang Yang Mao Li xinru School of Electronics and Information Northwestern Polytechnical UniversityXi’an 710072China The 54th Research Institute of CETC Shijiazhuang 050081China

In this paper,we propose a Multi-token Sector Antenna Neighbor Discovery(M-SAND)protocol to enhance the efficiency of neighbor discovery in asynchronous directional ad hoc *** central concept of our work involves maintaining multiple tokens across the *** prevent mutual interference among multi-token holders,we introduce the time and space non-interference ***,we propose a master-slave strategy between *** the master token holder(MTH)performs the neighbor discovery,it decides which 1-hop neighbor is the next MTH and which 2-hop neighbors can be the new slave token holders(STHs).Using this approach,the MTH and multiple STHs can simultaneously discover their neighbors without causing interference with each *** on this foundation,we provide a comprehensive procedure for the M-SAND *** also conduct theoretical analyses on the maximum number of STHs and the lower bound of multi-token generation ***,simulation results demonstrate the time efficiency of the M-SAND *** compared to the QSAND protocol,which uses only one token,the total neighbor discovery time is reduced by 28% when 6beams and 112 nodes are employed.

关键词： multi-token neighbor discovery SAND protocol sector antenna ad hoc network

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Trojan horses in tumor:engineered pyroelectric and photodynamic nanocomposites for NIR-induced cell apoptosis and tumor growth inhibition

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Science China Chemistry 2024年第9期67卷 3050-3062页

作者： Yanxi Yang xinru Kong Xueli Ren Yandai Lin Zhe Liu Academy of Medical Engineering and Translational Medicine Tianjin UniversityTianjin 300072China Tianjin Key Laboratory of Brain Science and Neural Engineering Tianjin UniversityTianjin 300072China

It is desirable but always challenging to develop a cutting-edge tumor treatment strategy with high therapeutic efficacy,lesiontargeted precision and mild *** to traditional treatment modalities,photodynamic therapy has been widely studied since the generation of reactive oxygen species(ROS)at cancerous lesions unprecedentedly offers a convenient approach for localized tumor ***,the consumption of oxygen for ROS production in a hypoxic tumor microenvironment has dramatically limited its feasibility and ***,the engineered nanocomposites of BTO@PDA-ICGHA with photodynamic and pyroelectric performances have been fabricated and applied to the photodynamic-pyroelectric dynamic *** continuing ROS production derived from intracellular oxygen(O_(2))and water(H_(2)O)by laser irradiation contributed to the superb tumor cell apoptosis and significant tumor growth ***,this study has validated a new concept by depositing the engineered nanocomposites at the tumor just like Trojan horses,facilitating ROS release as killers and exerting the NIR-induced cell apoptosis and tumor growth inhibition with high therapeutic efficiency and expectable translational perspectives.

关键词： nanocomposites pyroelectric effect photodynamic therapy cell apoptosis tumor growth inhibition

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A CSP-based retraining framework for motor imagery based brain-computer interfaces

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Science China(Information Sciences) 2024年第8期67卷 349-350页

作者： Xue JIANG Lubin MENG xinru CHEN Dongrui WU Key Laboratory of Image Processing and Intelligent Control School of Artificial Intelligence and AutomationHuazhong University of Science and Technology Shenzhen Huazhong University of Science and Technology Research Institute

Motor imagery(MI) is a classic paradigm of electroencephalogram(EEG)-based brain-computer interfaces(BCIs). It entails individuals mentally imagining the movement of a body part without physically performing it. EEG s... 详细信息

关键词： Classification (of information)

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Head-to-head comparison of PSMA PET/CT and mpMRI for detecting biochemical recurrence of prostate cancer: A systematic review and meta-analysis

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Current Urology 2024年第3期18卷 177-184页

作者： xinru Zhang Zhe Ma Department of Ultrasound The First Affiliated Hospital of Shandong First Medical UniversityJinanChina

Objectives This study aimed to evaluate the performance of prostate-specific membrane antigen positron emission tomography/computed tomography(PSMA PET/CT)in comparison to multiparametric magnetic resonance imaging(mpMRI)for detecting biochemical recurrence of prostate cancer(PCa).Materials and methods We conducted a comprehensive search for articles published in PubMed,Web of Science,Embase,and the Cochrane Library,spanning the inception of the database until October 26,2022,which included head-to-head comparisons of PSMA PET/CT and mpMRI for assessing the biochemical recurrence of *** A total of 5 studies including 228 patients were *** overall positivity rates of PSMA PET/CT and mpMRI for detecting biochemical recurrence of PCa after final treatment were 0.68(95%confidence interval[CI],0.52–0.89)and 0.56(95%CI,0.36–0.88),*** positivity rates of PSMA PET/CT and mpMRI for detecting local recurrence,lymph node metastasis,and bone metastases were 0.37(95%CI,0.30–0.47)and 0.38(95%CI,0.22–0.67),0.44(95%CI,0.35–0.56)and 0.25(95%CI,0.17–0.35),and 0.19(95%CI,0.11–0.31)and 0.12(95%CI,0.05–0.25),*** with mpMRI,PSMA PET/CT exhibited a higher positivity rate for detecting biochemical recurrence and lymph node metastases,and no significant difference in the positivity rate of local recurrence was observed between these 2 imaging *** Compared with mpMRI,PSMA PET/CT appears to have a higher positivity rate for detecting biochemical recurrence of *** both imaging methods showed similar positivity rates of detecting local recurrence,PSMA PET/CT outperformed PSMA PET/CT in detecting lymph node involvement and overall recurrence.

关键词： Prostate-specific membrane antigen Positron emission tomography/computed tomography Multiparametric magnetic resonance imaging Prostate cancer Biochemical recurrence Positive rate

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Thermogalvanic hydrogel-based e-skin for self-powered on-body dual-modal temperature and strain sensing

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Microsystems & Nanoengineering 2024年第2期10卷 293-302页

作者： Zhaosu Wang Ning Li xinru Yang Zhiyi Zhang Hulin Zhang Xiaojing Cui College of Electronic Information and Optical Engineering Taiyuan University of TechnologyTaiyuan030024China College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan030024China School of Physics and Information Engineering Shanxi Normal UniversityTaiyuan030031China

Sensing of both temperature and strain is crucial for various diagnostic and therapeutic ***,we present a novel hydrogel-based electronic skin(e-skin)capable of dual-mode sensing of temperature and *** thermocouple ion selected for this study is the iodine/triiodide(I−/I3−)redox couple,which is a common component in everyday *** leveraging the thermoelectric conversion in conjunction with the inherent piezoresistive effect of a gel electrolyte,self-powered sensing is achieved by utilizing the temperature difference between the human body and the external *** composite hydrogels synthesized from polyvinyl alcohol(PVA)monomers using a simple freeze‒thaw method exhibit remarkable flexibility,extensibility,and adaptability to human *** incorporation of zwitterions further augments the resistance of the hydrogel to dehydration and low temperatures,allowing maintenance of more than 90%of its weight after 48 h in the *** its robust thermal current response,the hydrogel was encapsulated and then integrated onto various areas of the human body,including the cheeks,fingers,and ***,the detection of the head-down state and the monitoring of foot movements demonstrate the promising application of the hydrogel in supervising the neck posture of sedentary office workers and the activity *** successful demonstration of self-powered on-body temperature and strain sensing opens up new possibilities for wearable intelligent electronics and robotics.

关键词： hydrogel modal utilizing

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