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Investigation into the structures and physicochemical properties of multi-component crystals of voriconazole

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Chinese Chemical Letters 2023年第6期34卷 504-511页

作者： Hong-Mei Yu Bao-Xi Zhang Wen-Hui Xing Mei-Ju Liu Feng-Feng Wang ning-bo gong Li Zhang Yang Lu Guan-Hua Du Beijing Key Laboratory of Polymorphic Drugs Institute of Materia MedicaChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijing 100050China National Institutes for Food and Drug Control Beijing 102629China Beijing City Key Laboratory of Drug Target Identification and Drug Screening Institute of Materia MedicaChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijing 100050China

Voriconazole(VZL)is a second-generation and broad-spectrum triazole against fungal *** a BCS(biopharmaceutics classification system)class II compound,the poor aqueous solubility has limited its bioavailability and clinical *** to overcome this disadvantage,a cocrystallization strategy based on crystal engineering principles has resulted in five new multi-component crystals of VZL with maleic acid,L-tartaric,protocatechuic,gallic,and 3,5-dinitrobenzoic *** analysis revealed that the hydroxyl/carboxylic acid···triazole N_(3)hydrogen bonding interaction appears as a main supramolecular heterosynthon in the VZL multi-component crystals with organic *** VZL molecule has a flexible conformation in each of the five multi-component *** newly synthesized multi-component crystals showed impressive solubility improvement compared to that of the raw material of *** electrostatic potential surfaces(MEPS)analysis based on density functional(DFT)calculations revealed that hydrogen bond interactions in cocrystals mainly involved pairwise interactions in the global maxima and minima sites,but this rule is not always *** study indicates the potential of cocrystals to improve the solubility and dissolution rate of VZL.

关键词： Multi-component crystal Voriconazole Solubility Dissolution Stability

Study of the blocking mechanism in gravel packing based on CFD-DEM

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Particuology 2024年第7期90卷 164-178页

作者： Fucheng Deng Lei Wen Gang Li Baitao Fan ning gong Shenghong Chen Yangtze University Jingzhou434023China Guangzhou Institute of Energy Conversion Chinese Academy of Sciences510640China CNOOC Research Institute Ltd Beijing100028China Tianjin Branch of CNOOC Ltd Tianjin300459China CNOOC Ener Tech-Drilling&Production Co Tianjin300457China

Gravel packing sand control(GPSC),as the optimization of mechanical sand control technology,is widely used in the deep water completion and sand control of loose sandstone heavy oil reservoirs and highly *** explore the blocking mechanism of GPSC,the influence of its structural parameters on the blocking of GPSC is *** paper establishes a particle element model based on computational fluid dynamics-discrete element method coupling using the discrete element method and establishes a fluid flow model combined with computational fluid dynamics to realize their full coupling *** sand control experiments were carried out using a micro visual sand control simulation device to verify the blocking *** blocking mechanism is analyzed from the microscopic point of view,and then,the influence of sand control structure parameters on the blocking in GPSC design is *** results show the following:(1)the blocking process of GPSC can be divided into three stages:an initial stage,sand accumulation stage,and equilibrium stage.(2)There are two main types of gravel packing *** first type of blocking is blocking on the surface of the gravel *** particles on the surface of gravel layer mainly exist in the form of large particle size blocking gravel pores and sand particles bridging each *** second type of blockage is the blockage inside the gravel *** particles mainly exist in the form of internal mud cakes and adsorption on gravels inside the gravel layer.(3)To ensure the sand control performance of the gravel layer,the gravel layer thickness is designed between 23 and 28 *** displacement or pressure of the on-site packing pump should be increased to ensure that the gravel layer packing solidity ranges between 59%and 62%.In the design of GPSC,it should be ensured that the median particle size of gravel is 5–6 times the median particle size of *** study provides an effective technical reference for the

关键词： CFD-DEM Blocking the process Blocking mechanism Structural parameter

Exploration of cardiac rehabilitation nursing for elderly patients with myocardial infarction based on individualized cardiac rehabilitation

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World Journal of Clinical Cases 2024年第2期12卷 256-266页

作者： Hua-ning Liu bo Gao Department of Geriatrics General Hospital of the YangTze River ShippingWuhan Brain HospitalWuhan 430015Hubei ProvinceChina Department of Cardiology Suizhou Central HospitalAffiliated Hospital of Hubei University of MedicineSuizhou 441300Hubei ProvinceChina

BACKGROUND Myocardial infarction is a high-risk condition prevalent among the elderly population,often leading to adverse clinical manifestations such as reduced cardiopulmonary function,anxiety,and depression ***,cardiac rehabilitation holds immense importance in mitigating these *** To evaluate the effect of individualized cardiac rehabilitation on blood pressure variability(BPV)and baroreflex sensitivity(BRS)in elderly patients with myocardial *** A cohort of 74 elderly patients diagnosed with myocardial infarction and admitted to our hospital between January 2021 and January 2022 were subjected to random ***,all patients were divided into two groups,namely the research group(n=37)and the control group(n=37),utilizing the number table *** control group received conventional drug treatment and nursing guidance intervention,while the study group underwent individualized cardiac rehabilitation in addition to the interventions received by the control *** patients were continuously intervened for 12 wk,and the BPV of these two groups in the 1st wk(T0),the 4th wk(T1)and the 12th wk(T2)were compared,BRS,changes in cardiopulmonary function measures,and adverse cardiovascular *** Of 24 h diastolic BPV,24 h systolic BPV,carbon dioxide ventilation equivalent slope of the research group were lower than those of the control group at T1 and T2,BRS,peak heart rate and systolic blood pressure product,1 min heart rate recovery were higher than those of the control group,and the incidence of adverse events in the research group was lower than that of the control group,the difference was statistically significant(P<0.05).CONCLUSION In this study,we found that after individualized cardiac rehabilitation in elderly patients with myocardial infarction,BPV and BRS can be effectively improved,cardiac function is significantly enhanced,and a better prognosis is obtained.

关键词： Individualized cardiac rehabilitation Myocardial infarction Variability in blood pressure Baroreflex sensitivity

Positron Emission Tomography Lung Image Respiratory Motion Correcting with Equivariant Transformer

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Computers, Materials & Continua 2024年第5期79卷 3355-3372页

作者： Jianfeng He Haowei Ye Jie ning Hui Zhou bo She Faculty of Information Engineering and Automation Kunming University of Science and TechnologyYunnan Key Laboratory of Artificial IntelligenceKunming650500China School of Physics and Electronic Engineering Yuxi Normal UniversityYuxi653100China PET/CT Center Affiliated Hospital of Kunming University of Science and TechnologyFirst People’s Hospital of Yunnan ProvinceKunming650031China

In addressing the challenge of motion artifacts in Positron Emission Tomography (PET) lung scans, our studyintroduces the Triple Equivariant Motion Transformer (TEMT), an innovative, unsupervised, deep-learningbasedframework for efficient respiratory motion correction in PET imaging. Unlike traditional techniques,which segment PET data into bins throughout a respiratory cycle and often face issues such as inefficiency andoveremphasis on certain artifacts, TEMT employs Convolutional Neural Networks (CNNs) for effective featureextraction and motion ***’s unique approach involves transforming motion sequences into Liegroup domains to highlight fundamental motion patterns, coupled with employing competitive weighting forprecise target deformation field generation. Our empirical evaluations confirm TEMT’s superior performancein handling diverse PET lung datasets compared to existing image registration networks. Experimental resultsdemonstrate that TEMT achieved Dice indices of 91.40%, 85.41%, 79.78%, and 72.16% on simulated geometricphantom data, lung voxel phantom data, cardiopulmonary voxel phantom data, and clinical data, respectively. Tofacilitate further research and practical application, the TEMT framework, along with its implementation detailsand part of the simulation data, is made publicly accessible at https://***/yehaowei/temt.

关键词： PET lung scans respiratory motion correction triple equivariant motion transformer lie group motion decomposition

Noise-Tolerant ZNN-Based Data-Driven Iterative Learning Control for Discrete Nonaffine Nonlinear MIMO Repetitive Systems

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IEEE/CAA Journal of Automatica Sinica 2024年第2期11卷 344-361页

作者： Yunfeng Hu Chong Zhang bo Wang Jing Zhao Xun gong Jinwu Gao Hong Chen State Key Laboratory of Automotive Simulation and Control Jilin UniversityJilin UniversityChangchun 130025China College of Communication Engineering Jilin UniversityJilin UniversityChangchun 130025China Department of Electromechanical Engineering University of MacaoMacao 999078China School of Artificial Intelligence Jilin UniversityChangchun 130012China IEEE College of Electronics and Information Engineering Tongji UniversityShanghai 200092China

Aiming at the tracking problem of a class of discrete nonaffine nonlinear multi-input multi-output(MIMO) repetitive systems subjected to separable and nonseparable disturbances, a novel data-driven iterative learning control(ILC) scheme based on the zeroing neural networks(ZNNs) is proposed. First, the equivalent dynamic linearization data model is obtained by means of dynamic linearization technology, which exists theoretically in the iteration domain. Then, the iterative extended state observer(IESO) is developed to estimate the disturbance and the coupling between systems, and the decoupled dynamic linearization model is obtained for the purpose of controller synthesis. To solve the zero-seeking tracking problem with inherent tolerance of noise,an ILC based on noise-tolerant modified ZNN is proposed. The strict assumptions imposed on the initialization conditions of each iteration in the existing ILC methods can be absolutely removed with our method. In addition, theoretical analysis indicates that the modified ZNN can converge to the exact solution of the zero-seeking tracking problem. Finally, a generalized example and an application-oriented example are presented to verify the effectiveness and superiority of the proposed process.

关键词： Adaptive control control system synthesis data-driven iterative learning control neurocontroller nonlinear discrete time systems

Effect of austenitizing condition on mechanical properties,microstructure and precipitation behavior of AISI H13 steel

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Journal of Iron and Steel Research(International) 2024年第1期31卷 143-156页

作者： An-gang ning Yang Liu Rui Gao Stephen Yue Ming-bo Wang Han-jie Guo College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan030024ShanxiChina Department of Mining and Materials Engineering McGill UniversityMontrealQCH3A 0C5Canada ASSAB Tooling Technology(Chongqing)Co. Ltd.Chongqing401120China School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing100083China

The effects of austenitizing temperature(1223,1303,and 1373 K)and holding time(1-1500 s)on the microstructure,mechanical properties,and precipitation behavior of the H13 hot work die steel were *** results indicate a softening phenomenon when H13 steel is austenitized at 1303 K beyond 900 s and 1373 K beyond 600 s,*** the sample held for 1200 s,the tensile strength is found capable of reaching up to 2.2 GPa when quenched from a temperature above 1303 ***,prior-austenite grain size increases with the increase in austenitizing *** kinetic behavior of the precipitates(mainly MC-type carbides)in H13 steel could be elaborated through the principles set forth by the Arrhenius and Avrami ***,the comprehensive strengthening of the H13 steel was discussed in *** results show that the activation energy of the transformed fraction of carbides is higher than that of the diffusion process for common alloying elements(Cr,V,Mo,and Ni)found in the *** suggests that it would be difficult for precipitates to dissolve into the matrix when H13 steel is austenitized at high *** the increasing austenitizing temperature,the precipitation fraction decreases,and the dislocation density *** dislocation strengthening is regarded as the dominant strengthening contributed to yield strength in as-quenched H13 steel.

关键词： H13 steel Austenitizing Mechanical property Precipitation behavior Comprehensive strengthening

Enhancement of heavy metals desorption from the soil by eddy deep leaching in hydrocyclone

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Journal of Environmental Sciences 2024年第1期135卷 242-251页

作者： ning Wang Hao Lu bo Liu Tai Xiong Jianping Li Hualin Wang Qiang Yang School of Mechanical and Power Engineering East China University of Science and TechnologyShanghai 200237China National Engineering Laboratory for High Concentration Refractory Organic Wastewater Treatment Technology East China University of Science and TechnologyShanghai 200237China

An eddy deep leaching technology was developed in this paper to address the challenge of treating heavy metal contaminants in industrial mining *** desorption effect of As,Cd,Sb and Pb was investigated utilizing chemical leaching and physical eddy *** was found that the heavy metals concentration increased with decreasing particle *** highest proportion of Cd in the form distribution of soil was in the bound to iron and manganese oxides,while the maximum proportion of As,Sb and Pb were in the *** optimal solid-liquid ratio of the hydrocyclone was 1:20,and the corresponding separation efficiency and flow rate were 84.7%and 1.76 m^(3)/hr,*** grade efficiency of soil particle separation increases with particle size and exceeds 99%for particles above 1,000μ*** experiments have revealed that oxalic acid(OA)and a combination of oxalic acid and EDTA(OAPE)were more efficient than citric acid(CA)and a combination of citric acid and EDTA(CAPE)for the desorption of heavy metals,*** comparison of OAPE and eddy leaching found that the latter improved the desorption efficiency by 9.4%,7.5%,7.2%and 7.8%for As,Cd,Sb and Pb compared to the former,*** results demonstrated that the eddy leaching technique could further enhance the desorption efficiency of heavy *** is expected to provide technical support for soil remediation with reduced usage of leaching agents.

关键词： Heavy metals Soil remediation Oxalic acid Eddy leaching Hydrocyclone

Flexible Organic Crystal with Two-Dimensional Elastic Bending and Recoverable Plastic Twisting for Circularly Polarized Luminescence

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CCS Chemistry 2024年第6期6卷 1439-1447页

作者： Wenjie Kuang bo Jing Songgu Wu Junbo gong State Key Laboratory of Chemical Engineering School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072 Collaborative Innovation Center of Chemical Science and Engineering Tianjin 300072

Multidimensional mechanical flexible organic crystals with tunable optoelectronic properties hold significant promise for practical application in complicated environmental ***,based on a newly designed“flexible”Schiff base small molecule with chirality,we presented a compatibly bendable and twistable organic single crystal with circularly polarized luminescence for the first ***,the twodimensional elastic bending of the chiral crystal was realized at both room and liquid nitrogen temperatures,along with recoverable plastic twisting at room ***,circular dichroism and circularly polarized luminescence spectroscopy were employed to characterize the chiral enantiomer in solution and the solid *** design strategy provides a new perspective for the future construction of chiroptical flexible crystal materials.

关键词： organic crystal multidimensional flexibility circularly polarized luminescence low-temperature resistance

Umbilical cord mesenchymal stem cell exosomes alleviate necrotizing enterocolitis in neonatal mice by regulating intestinal epithelial cells autophagy

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World Journal of Stem Cells 2024年第6期16卷 728-738页

作者： Lin Zhu Lu He Wu Duan bo Yang ning Li Department of Pediatrics Tongji HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430077Hubei ProvinceChina Division of Endocrinology Department of Internal MedicineQilu Hospital of Shandong UniversityJinan 250012Shandong ProvinceChina Shenzhen Research Institute of Shandong University Shenzhen 518000Guangdong ProvinceChina Institute of Organ Transplantation Tongji HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430077Hubei ProvinceChina Department of Physical Education Heze UniversityHeze 274015Shandong ProvinceChina

BACKGROUND Necrotizing enterocolitis(NEC)is a severe gastrointestinal disease that affects premature *** mounting evidence supports the therapeutic effect of exosomes on NEC,the underlying mechanisms remain *** To investigate the mechanisms underlying the regulation of inflammatory response and intestinal barrier function by umbilical cord mesenchymal stem cell(UCMSCs)exosomes,as well as their potential in alleviating NEC in neonatal *** NEC was induced in 5-d-old C57BL/6 pups through hypoxia and gavage feeding of formula containing lipopolysaccharide(LPS),after which the mice received human UCMSC exosomes(hUCMSC-exos).The control mice were allowed to breastfeed with their *** tissues were collected from the mice and analyzed by histopathology and *** tissues were collected from NEC neonates and analyzed by *** biology and cell culture approaches were employed to study the related mechanisms in intestinal epithelial *** We found that autophagy is overactivated in intestinal epithelial cells during NEC,resulting in reduced expression of tight junction proteins and an increased inflammatory *** ability of hUCMSC-exos to ameliorate NEC in a mouse model was dependent on decreased intestinal *** also showed that hUCMSC-exos alleviate the inflammatory response and increase migration ability in intestinal epithelial cells induced by *** These results contribute to a better understanding of the protective mechanisms of hUCMSC-exos against NEC and provide a new theoretical and experimental foundation for NEC *** findings also enhance our understanding of the role of the autophagy mechanism in NEC,offering potential avenues for identifying new therapeutic targets.

关键词： Necrotizing enterocolitis Autophagy Umbilical cord mesenchymal stem cell Exosomes Intestinal epithelial cell Intestinal barrier function