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The role of hydrogen bonding in solubilizing camptothecin in hydrophilic and hydrophobic ionic liquids

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Green Chemical Engineering 2024年第4期5卷 489-500页

作者： Xiaotong zhu Liwen Mu Jiahua zhu Xiaohua Lu Yuanhui Ji Jiangsu Province Hi-Tech Key Laboratory for Biomedical Research School of Chemistry and Chemical Engineering Southeast University State Key Laboratory of Materials-oriented Chemical Engineering College of Chemical Engineering Nanjing Tech University

Utilizing ionic liquid(IL)-water mixtures as selective extraction solvents for raw materials from natural sources represents an efficacious approach; however, elucidating the underlying mechanisms inherent in various types of IL-aqueous solutions continues to pose a significant challenge. In this study, molecular dynamics simulations and density functional theory calculations are employed to illuminate the influence of the functional anion within ILs and the water content on the solvation mechanism and phase separation phenomena observed during the extraction of camptothecin(CPT) using aqueous IL solutions. The simulation results show that the anions in ILs preferentially dissolve CPT through hydrogen bonding at low water concentrations. As the water concentration increases, the hydrophobic IL binds more tightly to CPT, enabling the water to self-aggregate. The anions in hydrophilic IL form hydrogen bonds with water instead, further enhancing the dissolution of CPT. This work reveals the mechanism of phase separation and solvation of different types of IL aqueous solutions, which is helpful in developing new drug extraction and purification technologies.

关键词： Ionic liquids Hydrogen bonding Molecular dynamics simulation Phase separation Quantum chemistry calculations

An Improved Bounded Conflict-Based Search for Multi-AGV Pathfinding in Automated Container Terminals

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Computer Modeling in Engineering & Sciences 2024年第6期139卷 2705-2727页

作者： Xinci Zhou Jin zhu Shanghai Maritime University Logistics Science and Engineering Research InstituteShanghai200000China

As the number of automated guided vehicles(AGVs)within automated container terminals(ACT)continues to rise,conflicts have becomemore *** point and edge conflicts ofAGVs,amulti-AGVconflict-free path planning model has been formulated to minimize the total path length of AGVs between shore bridges and *** larger terminalmaps and complex environments,the grid method is employed to model AGVs’road *** improved bounded conflict-based search(IBCBS)algorithmtailored to ACT is proposed,leveraging the binary tree principle to resolve conflicts and employing focal search to expand the search *** experiments involving 60 AGVs indicate a reduction in computing time by 37.397%to 64.06%while maintaining the over cost within 1.019%.Numerical experiments validate the proposed algorithm’s efficacy in enhancing efficiency and ensuring solution quality.

关键词： Automated terminals multi-AGV multi-agent path finding(MAPF) conflict based search(CBS) AGV path planning

Bio-inspired Design and Inverse Kinematics Solution of an Omnidirectional Humanoid Robotic Arm with Geometric and Load Capacity Constraints

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Journal of Bionic Engineering 2024年第2期21卷 778-802页

作者： Zhichao zhu Zirong Luo Yiming zhu Tao Jiang Minghai Xia Shanjun Chen Boyu Jin College of Intelligence Science and Technology National University of Defense TechnologyChangshaChina

Inspired by the driving muscles of the human arm,a 4-Degree of Freedom(DOF)concentrated driving humanoid robotic arm is proposed based on a spatial double parallel four-bar *** four-bar mechanism design reduces the inertia of the elbow-driving unit and the torque by 76.65%and 57.81%,*** the human pose regulation strategy that the human arm picks up a heavy object by adjusting its posture naturally without complicated control,the robotic arm features an integrated position-level closed-form inverse solution method considering both geometric and load capacity *** method consists of a geometric constraint model incorporating the arm angle(φ)and the Global Configuration(GC)to avoid joint limits and singularities,and a load capacity model to constrain the feasible domain of the arm ***,trajectory tracking simulations and experiments are conducted to validate the feasibility of the proposed inverse solution *** simulated maximum output torque,maximum output power and total energy consumption of the robotic arm are reduced by up to 2.0%,13.3%,and 33.3%,*** experimental results demonstrate that the robotic arm can bear heavy loads in a human-like posture,effectively reducing the maximum output torque and energy consumption of the robotic arm by 1.83%and 5.03%,respectively,while avoiding joints beyond geometric and load capacity *** proposed design provides a high payload–weight ratio and an efficient pose control solution for robotic arms,which can potentially broaden the application spectrum of humanoid robots.

关键词： Humanoid robotic arm Bio-inspired design Inverse kinematics solution Load capacity constraint Geometric constraint

YOLO-MFD:Remote Sensing Image Object Detection with Multi-Scale Fusion Dynamic Head

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Computers, Materials & Continua 2024年第5期79卷 2547-2563页

作者： Zhongyuan Zhang Wenqiu zhu School of Computer Science Hunan University of TechnologyZhuzhou412007China

Remote sensing imagery,due to its high altitude,presents inherent challenges characterized by multiple scales,limited target areas,and intricate *** inherent traits often lead to increased miss and false detection rates when applying object recognition algorithms tailored for remote sensing ***,these complexities contribute to inaccuracies in target localization and hinder precise target *** paper addresses these challenges by proposing a solution:The YOLO-MFD model(YOLO-MFD:Remote Sensing Image Object Detection withMulti-scale Fusion Dynamic Head).Before presenting our method,we delve into the prevalent issues faced in remote sensing imagery ***,we emphasize the struggles of existing object recognition algorithms in comprehensively capturing critical image features amidst varying scales and complex *** resolve these issues,we introduce a novel ***,we propose the implementation of a lightweight multi-scale module called *** module significantly improves the model’s ability to comprehensively capture important image features by merging multi-scale feature *** effectively addresses the issues of missed detection and mistaken alarms that are common in remote sensing ***,an additional layer of small target detection heads is added,and a residual link is established with the higher-level feature extraction module in the backbone *** allows the model to incorporate shallower information,significantly improving the accuracy of target localization in remotely sensed ***,a dynamic head attentionmechanism is *** allows themodel to exhibit greater flexibility and accuracy in recognizing shapes and targets of different ***,the precision of object detection is significantly *** trial results show that the YOLO-MFD model shows improvements of 6.3%,3.5%,and 2.5%over the original YOLOv8 model in Precision,map@0.5 a

关键词： Object detection YOLOv8 multi-scale attention mechanism dynamic detection head

2-local unstable homotopy groups of indecomposable A3～2-complexes

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Science China Mathematics 2024年第3期67卷 607-626页

作者： Zhongjian zhu Jianzhong Pan College of Mathematics and Physics Wenzhou University Hua Loo-Keng Key Laboratory of Mathematics Institute of MathematicsAcademy of Mathematics and Systems ScienceChinese Academy of Sciences School of Mathematical Sciences University of Chinese Academy of Sciences

In this paper,we calculate the 2-local unstable homotopy groups of indecomposable A3～*** main technique used is analysing the homotopy property of J（A,X）,defined by Gray（1973） for a CW-pair（X,A）,which is homoto... 详细信息

关键词： homotopy groups A 2 n -complexes fibration sequence relative James construction 55P15

Could π-aromaticity cross an unsaturated system to a fully saturated one?

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Chinese Chemical Letters 2024年第6期35卷 298-302页

作者： Shicheng Dong Jun zhu State Key Laboratory of Physical Chemistry of Solid Surfaces Collaborative Innovation Center of Chemistry for Energy Materials(iChem)Fujian Provincial Key Laboratory of Theoretical and Computational ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China School of Science and Engineering The Chinese University of Hong KongShenzhen 518172China

The classification of π-/σ-aromaticity depends on the electrons with the dominating ***,π-andσ-aromaticity are used to describe the unsaturated and saturated systems,***,it is rarely reported that π-aromaticity is dominated in a saturated *** we demonstrate that π-aromaticity could be dominating in several fully saturated four-membered rings(4MRs),supported by various aromaticity indices including ΔBL,NICS,EDDB,MCI,and Ad *** origin of suchπ-aromaticity in saturated rings could be attributed to an introduction of two additional electrons into the π-type LUMO of the parent neutral *** findings represent a novel approach to achieve π-aromaticity into a fully saturated system which has traditionally been dominated by σ-aromaticity.

关键词： π-Aromaticity Saturated rings Silicon

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Modern phenomics to empower holistic crop science, agronomy, and breeding research

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Journal of Genetics and Genomics 2024年第8期51卷 790-800页

作者： Ni Jiang Xin-Guang zhu Institute of Genetics and Developmental Biology Chinese Academy of SciencesBeijing 100101China Center of Excellence for Molecular Plant Sciences Chinese Academy of SciencesShanghai 200032China

Crop phenomics enables the collection of diverse plant traits for a large number of samples along different time scales,representing a greater data collection throughput compared with traditional *** modern crop phenomics use different sensors to collect reflective,emitted,and fluorescence signals,etc.,from plant organs at different spatial and temporal *** multi-modal,high-dimensional data not only accelerates basic research on crop physiology,genetics,and whole plant systems modeling,but also supports the optimization of field agronomic practices,internal environments of plant factories,and ultimately crop *** challenges and opportunities facing the current crop phenomics research community include developing community consensus or standards for data collection,management,sharing,and processing,developing capabilities to measure physiological parameters,and enabling farmers and breeders to effectively use phenomics in the field to directly support agricultural production.

关键词： Crop phenomics High-throughput phenotyping Traits Crop designer breeding Agronomy

Effective roles of exercise and diet adherence in non-alcoholic fatty liver disease

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World Journal of Gastroenterology 2024年第29期30卷 3456-3460页

作者： Wei zhu School of Life Sciences and Technology Tongji UniversityShanghai 200092China Shanghai Xirong Information Science and Technology Co. Ltd.National Science and Technology ParkTongji UniversityShanghai 200092China

Non-alcoholic fatty liver disease(NAFLD)is characterized by symptoms of excessive fat accumulation and steatosis in the liver without alcohol intake in *** associated pathogenic mechanism is not completely understood and there are no specific drugs for patients with *** and diet adherence are the best options for the management of NAFLD *** associated analysis models of adherence to these interventions are used to assess their effectiveness in the management of NAFLD patients using specificity,sensitivity,and so *** have indicated that the relative ratio of NAFLD can be reduced by physical activity with diet *** the future,the pathogenesis of NAFLD should be clarified with stratified efforts to develop appropriate drugs,and both exercise and diet adherence should be optimized using better questionnaire design and evaluation models for patients with NAFLD.

关键词： Exercise and diet adherence Non-alcoholic fatty liver disease Delphi Mediterranean diet Physical lifestyle

High-order Soliton Matrix for the Third-order Flow Equation of the Gerdjikov-Ivanov Hierarchy Through the Riemann-Hilbert Method

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Acta Mathematicae Applicatae Sinica 2024年第2期40卷 358-378页

作者： Jin-yan zhu Yong CHEN School of Mathematical Sciences Shanghai Key Laboratory of Pure Mathematics and Mathematical PracticeEast China Normal UniversityShanghai 200062China College of Mathematics and Systems Science Shandong University of Science and TechnologyQingdao 266590China

The Gerdjikov-Ivanov(GI)hierarchy is derived via recursion operator,in this article,we mainly investigate the third-order flow GI *** the framework of the Riemann-Hilbert method,the soliton matrices of the third-order flow GI equation with simple zeros and elementary high-order zeros of Riemann-Hilbert problem are constructed through the standard dressing *** advantage of this result,some properties and asymptotic analysis of single soliton solution and two soliton solution are discussed,and the simple elastic interaction of two soliton are *** with soliton solution of the classical second-order flow,we find that the higher-order dispersion term affects the propagation velocity,propagation direction and amplitude of the ***,by means of a certain limit technique,the high-order soliton solution matrix for the third-order flow GI equation is derived.

关键词： Gerdjikov-Ivanov hierarchy third-order flow GI equation Riemann-Hilbert method high-order soliton

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