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Journal of Integrative Medicine 2024年第1期22卷 32-38页

作者： Li-ying liu Yang Su Rong-rong Wang yuan-yuan lai Lei Huang yi-ting Li Xin-yue Tao Meng-hua Su Xiao-yan Zheng Shi-chen Huang Yong-na Wu si-yi yu Fan-rong Liang Jie Yang Acupuncture and Tuina School Chengdu University of Traditional Chinese MedicineChengdu 610000Sichuan ProvinceChina Traditional Chinese Medicine department Sichuan Jinxin Xi’nan Women's and Children's HospitalChengdu 610000Sichuan ProvinceChina

Background Transvaginal oocyte retrieval is frequently followed by adverse events related to anesthesia and the *** research showed that transcutaneous electrical acupoint stimulation(TEAS)can relieve intraoperative pain and postoperative *** This study examined whether TEAS can alleviate pain and relieve adverse symptoms after oocyte ***,setting,participants and interventions Altogether 128 patients were randomly divided into the TEAS group and the mock TEAS *** two groups received a 30-minute-long TEAS or mock TEAS treatment that began 30 min after oocyte *** outcome measures The primary outcome was the visual analog scale(VAS)pain *** outcomes were pressure pain threshold,McGill score,pain rating index(PRI),present pain intensity(PPI),VAS stress score,VAS anxiety score,and postoperative adverse *** The baseline characteristics of the two groups were comparable(P>0.05).The VAS pain scores of the TEAS group were lower than those of the mock TEAS group at 60 and 90 min after oocyte retrieval(Psignificantly lower than those in the control group at 60 min after oocyte retrieval(P0.05).The TEAS group was superior to the mock TEAS group for relieving postoperative adverse symptoms(Psion TEAS treatment can relieve postoperative pain and postoperative adverse symptoms for patients undergoing oocyte retrieval.

关键词： Transcutaneous electrical acupoint stimulation Fertilization Embryo transfer Oocyte retrieval Pain Randomized controlled trial

Selective synthesis of the B_(11)H_(14)^(-) and B_(12)H_(12)^(2-) borane derivatives and the general mechanisms of the B-H bond condensation

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science China Chemistry 2024年第3期67卷 876-881页

作者： yi Jing Xinghua Wang Hui Han Xin-Ran liu Xing-Chao yu Xi-Meng Chen Donghui Wei lai-Sheng Wang Xuenian Chen College of Chemistry Green Catalysis CenterZhengzhou UniversityZhengzhou 450001China School of Chemistry and Chemical Engineering Henan Key Laboratory of Boron Chemistry and Advanced Energy MaterialsHenan Normal UniversityXinxiang 453007China department of Chemistry Brown UniversityProvidenceRI 02912USA

Polyhedral boranes are a class of well-known boron molecular clusters with unique physical and chemical properties,and great efforts have been made in the past decades to find more effective synthetic ***,the established synthetic methods suffer from low efficiency and low selectivity because the mechanism of the B-H bond condensation reaction,critical for the synthesis of the polyhedral boranes,is not well *** we report highly selective and efficient synthetic methods of the salts of the tetradecahydridoundecaborate(1-)(B_(11)H^(-)_(14)) and dodecahydrido-dodecaborates(2-)(B_(12)H_(12)^(2-)) anions by employing commercially available and inexpensive starting *** theoretical and experimental investigations are carried out to elucidate the reaction *** have found that the nature of the B-H bond condensation is the dihydrogen bonding interaction in which the positively charged hydrogens(bridged hydrogens) play a crucial *** current study has not only led to more effective and selective synthetic methods for B_(11)H^(-)_(14) and B_(12)H_(12)^(2-) but also unveiled the nature of the B-H bond condensation and the general formation mechanisms of polyhedral *** finding will facilitate the development of more effective synthetic methods for polyhedral boranes and spur their wide application.

关键词： Boranes polyhedral boranes dihydrogen bond nucleophilicity

Discovery of a potential bladder cancer inhibitor CHNQD-01281 by regulating EGFR and promoting infiltration of cytotoxic T cells

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Marine Life science & Technology 2024年第3期6卷 502-514页

作者： Jian-yu liu Yao-Yao Jiang Peng-Jie Li Bo Yao yi-Jing Song Ji-Xiu Gao Gulab Said Yang Gao Jun-yu lai Chang-Lun Shao Key Laboratory of Marine Drugs the Ministry of Education of ChinaSchool of Medicine and PharmacyOcean University of ChinaQingdao 266003China department of Critical Care Medicine the Affiliated Hospital of Qingdao UniversityQingdao 266003China department of Chemistry Women University SwabiSwabi 23430Pakistan Laoshan Laboratory Qingdao 266237China Key Laboratory of Tropical Medicinal Resource Chemistry of Ministry of Education College of Chemistry and Chemical EngineeringHainan Normal UniversityHaikou 571158China

As one of the common malignancies that threaten human life,bladder cancer occurs frequently with a high mortality rate in the world,due to its invasion,recurrence and drug *** products from marine microorganisms are becoming the hotspots in discovery of new candidate drug entities,especially in the area of *** A(BFA)is a natural Arf-GEFs inhibitor,but due to the low aqueous solubility,strong toxicity,and poor bioavailability,it is urgent to conduct structural optimization ***,a new BFA pyridine acrylate derivative CHNQD-01281 with improved solubility was prepared and found to exert moderate to strong antiproliferative activity on a variety of human cancer cell *** was noteworthy that CHNQD-01281 was most sensitive to two bladder cancer cell lines T24 and J82(IC50=0.079 and 0.081μmol/L)with high selectivity index(si=14.68 and 14.32),suggesting a superior safety to *** vivo studies revealed that CHNQD-01281 remarkably suppressed tumor growth in a T24 nude mice xenograft model(TGI=52.63%)and prolonged the survival time(ILS=68.16%)in an MB49 allogeneic mouse model via inducing infiltration of cytotoxic T *** mechanism exploration indicated that CHNQD-01281 regulated both EGFR/PI3K/AKT and EGFR/ERK pathways and mediated the chemotactic effect of chemokines on immune effector ***,CHNQD-01281 may serve as a potential therapeutic agent for bladder cancer through multiple mechanisms.

关键词： Bladder cancer Marine natural products Brefeldin A EGFR/PI3K/AKT EGFR/ERK T-cell infiltration

Improving constraint onΩ_(m)from SDSS using marked correlation functions

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science China(Physics,Mechanics & Astronomy) 2024年第8期67卷 207-224页

作者： Limin lai Jiacheng Ding Xiaolin Luo yizhao Yang Zihan Wang Keshi liu Guanfu liu Xin Wang yi Zheng Zhaoyu Li Le Zhang Xiao-Dong Li School of Physics and Astronomy Sun Yat-sen University Zhuhai CampusZhuhai 519082China department of Astronomy Shanghai Jiao Tong UniversityShanghai 200240China department of Astronomy Tsinghua UniversityBeijing 100084China CSST science Center for the Guangdong-Hong Kong-Macao Greater Bay Area SYSUZhuhai 519082China Peng Cheng Laboratory Shenzhen 518000China

Large-scale structure(LSS)surveys will increasingly provide stringent constraints on our cosmological ***,the density-marked correlation function(MCF)has been introduced,offering an easily computable density-correlation *** have demonstrated that MCFs offer additional,independent constraints on cosmological models beyond the standard two-point correlation(2PCF).In this study,we apply MCFs for the first time to SDSS CMASS data,aiming to investigate the statistical information regarding clustering and anisotropy properties in the Universe and assess the performance of various weighting schemes in MCFs,and finally obtain constraints onΩ_(m).Upon analyzing the CMASS data,we observe that,by combining different weights(α=[-0.2,0,0.2,0.6]),the MCFs provide a tight and independent constraint on the cosmological parameterΩ_(m),yieldingΩ_(m)=0.293±0.006 at the 1σlevel,which represents a significant reduction in the statistical error by a factor of 3.4 compared to that from *** constraint is consistent with recent findings from the small-scale clustering of BOSS galaxies(Zhai et ***.J.948,99(2023))within the 1σ***,we also find that our estimate is lower than the Planck measurements by about 2.6σ,indicating the potential presence of new physics beyond the standard cosmological model if all the systematics are fully *** method outlined in this study can be extended to other surveys and datasets,allowing for the constraint of other cosmological ***,it serves as a valuable tool for forthcoming emulator analysis on the Chinese Space Station Telescope(CSST).

关键词： large scale structure of universe dark energy cosmological parameters marked weighted correlation function

A Degradation Type Adaptive and Deep CNN-Based Image Classification Model for Degraded Images

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工程与科学中的计算机建模(英文) 2024年第1期138卷 459-472页

作者： Huanhua liu Wei Wang Hanyu liu Shuheng yi Yonghao yu Xunwen Yao School of Information Technology and Management Hunan University of Finance and EconomicsChangsha410205China

Deep Convolutional Neural Networks(CNNs)have achieved high accuracy in image classification tasks,however,most existing models are trained on high-quality images that are not subject to image *** practice,images are often affected by various types of degradation which can significantly impact the performance of *** this work,we investigate the influence of image degradation on three typical image classification CNNs and propose a Degradation Type Adaptive Image Classification Model(DTA-ICM)to improve the existing CNNs’classification accuracy on degraded *** proposed DTA-ICM comprises two key components:a Degradation Type Predictor(DTP)and a Degradation Type Specified Image Classifier(DTS-IC)set,which is trained on existing CNNs for specified types of *** DTP predicts the degradation type of a test image,and the corresponding DTS-IC is then selected to classify the *** evaluate the performance of both the proposed DTP and the DTA-ICMon the Caltech 101 *** experimental results demonstrate that the proposed DTP achieves an average accuracy of 99.70%.Moreover,the proposed DTA-ICM,based on AlexNet,VGG19,and ResNet152,exhibits an average accuracy improvement of 20.63%,18.22%,and 12.9%,respectively,compared with the original CNNs in classifying degraded *** suggests that the proposed DTA-ICM can effectively improve the classification performance of existing CNNs on degraded images,which has important practical implications.

关键词： Image recognition image degradation machine learning deep convolutional neural network

An Elastoplastic Fracture Model Based on Bond-Based Peridynamics

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computer Modeling in Engineering & sciences 2024年第9期140卷 2349-2371页

作者： Liping Zu Yaxun liu Haoran Zhang Lisheng liu Xin lai Hai Mei department of Engineering Structure and Mechanics Wuhan University of TechnologyWuhan430070China Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of TechnologyWuhan430070China

Fracture in ductile materials often occurs in conjunction with plastic ***,in the bond-based peridynamic(BB-PD)theory,the classic mechanical stress is not defined *** makes it difficult to describe plasticity directly using the classical plastic *** address the above issue,a unified bond-based peridynamics model was proposed as an effective tool to solve elastoplastic fracture *** to the existing models,the proposed model directly describes the elastoplastic theory at the bond level without the need for additional calculation *** results obtained in the context of this model are shown to be consistent with FEM results in regard to force-displacement curves,displacement fields,stress fields,and plastic deformation *** model exhibits good capability of capturing crack propagation in ductile material failure problems.

关键词： Ductile materials plastic deformation bond-based peridynamics isotropic hardening fracture analysis

Deep simulated annealing for the discovery of novel dental anesthetics with local anesthesia and anti-inflammatory properties

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Acta Pharmaceutica sinica B 2024年第7期14卷 3086-3109页

作者： yihang Hao Haofan Wang Xianggen liu Wenrui Gai Shilong Hu Wencheng liu Zhuang Miao yu Gan Xianghua yu Rongjia Shi Yongzhen Tan Ting Kang Ao Hai yi Zhao yihang Fu Yaling Tang Ling Ye Jin liu Xinhua Liang Bowen Ke State Key Laboratory of Oral Diseases and National Clinical Research Center for Oral Diseases West China Hospital of StomatologySichuan UniversityChengdu 610041China College of computer science Sichuan UniversityChengdu 610065China department of Anesthesiology Laboratory of Anesthesia and Critical Care MedicineNational-Local Joint Engineering Research Centre of Translational Medicine of AnesthesiologyFrontiers Science Center for Disease-Related Molecular NetworkWest China HospitalSichuan UniversityChengdu 610041China

Multifunctional therapeutics have emerged as a solution to the constraints imposed by drugs with singular or insufficient therapeutic *** primary challenge is to integrate diverse pharmacophores within a single-molecule *** address this,we introduced DeepSA,a novel edit-based generative framework that utilizes deep simulated annealing for the modification of articaine,a wellknown local *** integrates deep neural networks into metaheuristics,effectively constraining molecular space during compound *** framework employs a sophisticated objective function that accounts for scaffold preservation,anti-inflammatory properties,and covalent *** a sequence of local editing to navigate the molecular space,DeepSA successfully identified AT-17,a derivative exhibiting potent analgesic properties and significant anti-inflammatory activity in various animal *** insights into AT-17 revealed its dual mode of action:selective inhibition of NaV1.7 and 1.8 channels,contributing to its prolonged local anesthetic effects,and suppression of inflammatory mediators via modulation of the NLRP3 inflammasome *** findings not only highlight the efficacy of AT-17 as a multifunctional drug candidate but also highlight the potential of DeepSA in facilitating AI-enhanced drug discovery,particularly within stringent chemical constraints.

关键词： Multifunctional drugs Deep simulated annealing Molecule generation Articaine derivatives AI-enhanced drug discovery

Restraining growth of Zn dendrites by poly dimethyl diallyl ammonium cations in aqueous electrolytes

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Rare Metals 2024年第8期43卷 3735-3747页

作者： Xiang-Xin Zhang yuan-Qiang Chen Chang-Xin Lin yuan-Sheng Lin Guo-Lin Hu Yong-Chuan liu Xi-lai Xue Su-Jing Chen Zhan-Lin Yang Bai-Sheng Sa yi-Ning Zhang Key Laboratory of Optoelectronic Materials Chemistry and Physics Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China Helmholtz Institute Ulm(HIU) 89081 UlmGermany Karlsruhe Institute of Technology(KIT) 76021 KarlsruheGermany College of Materials science and Engineering Fuzhou UniversityFuzhou350108China

Metallic zinc is an excellent anode material for Zn-ion batteries,but the growth of Zn dendrite severely hinders its practical ***,an efficient and economical cationic additive,poly dimethyl diallyl ammonium(PDDA) was reported,used in aqueous Zn-ion batteries electrolyte for stabilizing Zn *** growth of zinc dendrites can be significantly restrained by benefiting from the pronounced electrostatic shielding effect from PDDA on the Zn metal ***,the PDDA is preferentially absorbed on Zn(002) plane,thus preventing unwanted side reactions on Zn *** to the introduction of a certain amount of PDDA additive into the common ZnSO_(4)-based electrolyte,the cycle life of assembled Zn‖Zn cells(1 mA·cm^(-2) and 1 mAh·cm^(-2)) is prolonged to more than 1100 *** response to the perforation issue of Zn electrodes caused by PDDA additives,the problem can be solved by combining foamy copper with zinc *** real application,Zn-ion hybrid supercapacitors and MnO_(2)‖Zn cells were assembled,which exhibited excellent cycling stability with PDDA *** work provides a new solution and perspective to cope with the dendrite growth problem of Zn anode.

关键词： PDDA Electrostatic shielding effect Zn anode Zn dendrites

Updated Lagrangian Particle Hydrodynamics (ULPH)Modeling of Natural Convection Problems

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computer Modeling in Engineering & sciences 2024年第10期141卷 151-169页

作者： Junsong Xiong Zhen Wang Shaofan Li Xin lai Lisheng liu Xiang liu Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of TechnologyWuhan430070China department of Engineering Structure and Mechanics Wuhan University of TechnologyWuhan430070China department of Civil and Environmental Engineering The University of CaliforniaBerkeleyCA 94720USA

Natural convection is a heat transfer mechanism driven by temperature or density differences,leading to fluid motion without external *** occurs in various natural and engineering phenomena,influencing heat transfer,climate,and fluid mixing in industrial *** work aims to use the Updated Lagrangian Particle Hydrodynamics(ULPH)theory to address natural convection *** Navier-Stokes equation is discretized using second-order nonlocal differential operators,allowing a direct solution of the Laplace operator for temperature in the energy *** numerical simulations,including cases such as natural convection in square cavities and two concentric cylinders,were conducted to validate the reliability of the *** results demonstrate that the proposed model exhibits excellent accuracy and performance,providing a promising and effective numerical approach for natural convection problems.

关键词： Updated Lagrangian particle hydrodynamics(ULPH) natural convection meshless methods higher order Laplacian model