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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

深层—超深层优质碎屑岩储层成因与测井评价方法——以库车坳陷白垩系巴什基奇克组为例

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石油学报 2023年第4期44卷 612-625页

作者：赖锦肖露赵鑫赵飞黎雨航朱世发王贵文刘宏坤中国石油大学(北京)油气资源与探测国家重点实验室北京102249 中国石油大学(北京)地球科学学院北京102249

深层—超深层是目前油气勘探的重点领域,寻找规模优质储层是实现深层—超深层油气勘探突破的关键。构造作用、沉积相和成岩相对优质碎屑岩储层的形成与发育具有重要影响,其中,沉积相是优质储层形成的基础,成岩相是优质储层发育的关键,... 详细信息

深层—超深层是目前油气勘探的重点领域,寻找规模优质储层是实现深层—超深层油气勘探突破的关键。构造作用、沉积相和成岩相对优质碎屑岩储层的形成与发育具有重要影响,其中,沉积相是优质储层形成的基础,成岩相是优质储层发育的关键,构造作用通过影响裂缝发育和地应力场来改善储层品质。以库车坳陷白垩系巴什基奇克组储层为例,分析深层—超深层碎屑岩储层的基本特征,从沉积微相、成岩相和构造(裂缝、地应力)“三元控储”的角度揭示了深层—超深层储层品质的控制因素。沉积背景和成岩相控制了深层—超深层储层基质孔隙的形成与发育,裂缝可改善储层的渗透率和产能,不同构造样式下现今地应力的差异分布控制了基质孔隙保存和裂缝有效性。基于“三元控储”机理、成岩综合系数和储集物性,将库车坳陷深层—超深层储层划分为4类,其中,优质储层主要形成于高能水动力环境和低应力场背景,经历了弱—中等压实作用和弱胶结作用,溶蚀作用和裂缝发育常叠加改善储集物性。综合常规测井资料和成像测井资料分别建立了沉积微相、成岩相、裂缝发育和地应力场的测井评价方法,实现了库车坳陷白垩系深层—超深层优质砂岩储层的测井预测。研究方法与认识可以为开展深层—超深层储层综合评价与有利区带预测提供理论指导与技术支持。

关键词：深层—超深层沉积微相成岩相裂缝地应力测井评价

二连盆地阿南凹陷下白垩统腾格尔组湖相云质岩成因

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地球科学（中国地质大学学报） 2017年第2期42卷 258-272页

作者：魏巍朱筱敏朱世发孙书洋何明薇杨德相吴建平王名巍中国石油大学地球科学学院北京102249 中国石油大学油气资源与探测国家重点实验室北京102249 中国石油华北油田分公司勘探开发研究院河北任丘062550

二连盆地阿南凹陷下白垩统腾格尔组发育一套湖相的富含致密油云质岩段,包括云质泥岩、云质沉凝灰岩和云质砂岩,但这类云质岩中的白云石岩石学特征及成因尚不明确.通过岩心、薄片、扫描电镜及碳氧同位素分析,将云质岩中的白云石分为两类:... 详细信息

二连盆地阿南凹陷下白垩统腾格尔组发育一套湖相的富含致密油云质岩段,包括云质泥岩、云质沉凝灰岩和云质砂岩,但这类云质岩中的白云石岩石学特征及成因尚不明确.通过岩心、薄片、扫描电镜及碳氧同位素分析,将云质岩中的白云石分为两类:(1)分布在纹层状和星点状云质泥岩或云质沉凝灰岩的非平直晶面、半自形微粉晶白云石;(2)分布在块状云质沉凝灰岩或云质砂岩的非平直-平直晶面、自形粉细晶白云石.两类白云石的成因机制不同:(1)半自形微粉晶白云石具偏高的δ^(13)C_(PDB)值(平均为5.4‰),主要受产甲烷菌的代谢活动影响,其δ^(18) O_(PDB)值负偏移量较小(平均为-13.0‰),计算形成温度约50~75℃,推测为成岩早期成因白云石,Mg^(2+)离子主要来源于富火山灰的凝灰物质大量水解.(2)自形粉细晶白云石晶体较大、晶形好,其δ^(13) C_(PDB)值偏低(0.2‰~0.7‰),受产甲烷菌的代谢活动和深层有机质热催化共同影响,其δ^(18) O_(PDB)值较低(平均为-19.4‰),计算形成温度约119℃,推测为成岩晚期埋藏成因白云石,Mg^(2+)离子可能与粘土矿物水解及深部流体上涌有关.

关键词：湖相沉积云质岩白云石化作用甲烷生成作用埋藏成因二连盆地石油地质

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