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Knowledge Graph Enhanced Transformers for Diagnosis Generation of Chinese Medicine

Chinese Journal of Integrative Medicine 2024年第3期30卷 267-276页

作者： WANG Xin-yu YANG tao GAO xiao-yuan HU Kong-fa School of Artificial Intelligence and Information Technology Nanjing University of Chinese MedicineNanjing210023China School of Information Management Nanjing UniversityNanjing210023China Jiangsu Collaborative Innovation Center of Traditional Chinese Medicine in Prevention and Treatment of Tumor Nanjing210023China Jiangsu Province Engineering Research Center of TCM Intelligence Health Service Nanjing210023China

Chinese medicine(CM)diagnosis intellectualization is one of the hotspots in the research of CM modernization.The traditional CM intelligent diagnosis models transform the CM diagnosis issues into classification issues,however,it is difficult to solve the problems such as excessive or similar categories.With the development of natural language processing techniques,text generation technique has become increasingly mature.In this study,we aimed to establish the CM diagnosis generation model by transforming the CM diagnosis issues into text generation issues.The semantic context characteristic learning capacity was enhanced referring to Bidirectional Long Short-Term Memory(BILSTM)with Transformer as the backbone network.Meanwhile,the CM diagnosis generation model Knowledge Graph Enhanced Transformer(KGET)was established by introducing the knowledge in medical field to enhance the inferential capability.The KGET model was established based on 566 CM case texts,and was compared with the classic text generation models including Long Short-Term Memory sequence-to-sequence(LSTM-seq2seq),Bidirectional and Auto-Regression Transformer(BART),and Chinese Pre-trained Unbalanced Transformer(CPT),so as to analyze the model manifestations.Finally,the ablation experiments were performed to explore the influence of the optimized part on the KGET model.The results of Bilingual Evaluation Understudy(BLEU),Recall-Oriented Understudy for Gisting Evaluation 1(ROUGE1),ROUGE2 and Edit distance of KGET model were 45.85,73.93,54.59 and 7.12,respectively in this study.Compared with LSTM-seq2seq,BART and CPT models,the KGET model was higher in BLEU,ROUGE1 and ROUGE2 by 6.00–17.09,1.65–9.39 and 0.51–17.62,respectively,and lower in Edit distance by 0.47–3.21.The ablation experiment results revealed that introduction of BILSTM model and prior knowledge could significantly increase the model performance.Additionally,the manual assessment indicated that the CM diagnosis results of the KGET model used in this study were highly consistent with the p

关键词： Chinese medicine diagnosis knowledge graph enhanced transformer text generation

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Dual-channel mechano-phosphorescence:a combined locking effect with twisted molecular structures and robust interactions

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Light(Science & Applications) 2024年第4期13卷 738-746页

作者： Zongliang Xie Zhu Mao Hailan Wang yuxin xiao Xiayu Zhang tao yu Zhongfu An Wei Huang Frontiers Science Center for Flexible Electronics Xi’an Institute of Flexible Electronics&Xi’an Institute of Biomedical Materials and EngineeringNorthwestern Polytechnical University127 West Youyi RoadXi’an 710072China. Research&Development Institute of Northwestern Polytechnical University in Shenzhen Shenzhen 518100China. Shenzhen Institutes of Advanced Electronic Materials Shenzhen 518100China. Key Laboratory of Flexible Electronics&Institute of Advanced Materials Nanjing Tech University30 South Puzhu RoadNanjing 211816China

Organic mechanoluminescence materials,featuring dual emission and ultralong phosphorescence characteristics,exhibit significant potential for applications in real-time stress sensing,pressure-sensitive lighting,advanced security marking techniques,and material breakage monitoring.However,due to immature molecular design strategies and unclear luminescence mechanisms,these materials remain rarely reported.In this study,we propose a valuable molecular design strategy to achieve dual-channel mechano-phosphorescence.By introducing the arylphosphine oxide group into a highly twisted molecular framework,enhanced intra-and intermolecular interactions could be achieved within rigid structures,leading to dual-channel mechanoluminescence with greatly promoted ultralong phosphorescence.Further investigations reveal the substantial boosting effect of intra-and intermolecular interactions on mechanoluminescence and ultralong phosphorescence properties by locking the highly twisted molecular skeleton.This work provides a concise and guiding route to develop novel smart responsive luminescence materials for widespread applications in material science.

关键词： channel luminescence locking

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Multi-physical fields distribution in billet during helical electromagnetic stirring:A numerical simulation research

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China Foundry 2024年第1期21卷 51-59页

作者： Dong Pan Qing-tao Guo Kai-lun Zhang Fu-zhi yu yu-ying Li yu-bao xiao State Key Laboratory of Metal Materials for Marine Equipment and Application Anshan 114009LiaoningChina Ansteel Beijing Research Institute Co. Ltd.Beijing 102200China

Electromagnetic stirring is one of the widely applied techniques to modify the quality of casting billets.Different from conventional rotate stirring,the helical stirring is more professional in assisting multi-dimensional flow of molten metal and eliminating solidification defects.In this study,the single-winding helical stirring(SWHS)was introduced,offering advantages such as smaller volume and lower electromagnetic shielding compared to traditional helical stirring methods.Following a comprehensive numerical simulation,the stirring parameters of SWHS were adjusted to yoke inclination angle of 43°and frequency of 12 Hz.The higher electromagnetic force and flow velocity in drawing direction,as well as the lower temperature gradient induced by the SWHS,are positive factors for homogeneous solidification of billet.The experimental results on Al-8%Si alloy and 0.4%C-1.1%Mn steel demonstrate that compared to rotate stirring,the SWHS process can induce better billet quality and is more effective in accelerating the equiaxed expansion and reducing element segregation.The SWHS process can enhance the equiaxed ratio of the billet by 58.3%and reduce segregation degree of carbon element by 10.97%.Consequently,SWHS holds great promise as a potential approach for improving the quality of continuous casting billets.

关键词： billet electromagnetic stirring helical solidification element segregation numerical simulation

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No Incidence of Liver Cancer Was Observed in A Retrospective Studyof Patients with Aristolochic Acid Nephropathy

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Chinese Journal of Integrative Medicine 2024年第2期30卷 99-106页

作者： SU tao FANG Zhi-e GUO yu-ming WANG Chun-yu WANG Jia-bo JI Dong BAI Zhao-fang YANG Li xiao xiao-he Renal Division Department of MedicinePeking University First HospitalBeijing(100034)China Department of Pharmacy Chongqing Hospital of Traditional Chinese MedicineChongqing(400021)China Department of Hepatology Fifth Medical Center of Chinese PLA General HospitalBeijing(100039)China China Military Institute of Chinese Materia Fifth Medical Center of Chinese PLA General HospitalBeijing(100039)China Phase I Clinical Trials Unit Department of Medicine for Infectious DiseasesFifth Medical Center of Chinese PLA General HospitalBeijing(100039)China Department of Pharmacy Affiliated Hospital of Shandong University of Traditional Chinese MedicineJinan(250000)China National Key Laboratory of Kidney Diseases Beijing(100039)China

Objective:To assess the risk of aristolochic acid(AA)-associated cancer in patients with AA nephropathy(AAN).Methods:A retrospective study was conducted on patients diagnosed with AAN at Peking University First Hospital from January 1997 to December 2014.Long-term surveillance and follow-up data were analyzed to investigate the influence of different factors on the prevalence of cancer.The primary endpoint was the incidence of liver cancer,and the secondary endpoint was the incidence of urinary cancer during 1 year after taking AA-containing medication to 2014.Results:A total of 337 patients diagnosed with AAN were included in this study.From the initiation of taking AA to the termination of follow-up,39 patients were diagnosed with cancer.No cases of liver cancer were observed throughout the entire follow-up period,with urinary cancer being the predominant type(34/39,87.17%).Logistic regression analysis showed that age,follow-up period,and diabetes were potential risk factors,however,the dosage of the drug was not significantly associated with urinary cancer.Conclusions:No cases of liver cancer were observed at the end of follow-up.However,a high prevalence of urinary cancer was observed in AAN patients.Establishing a direct causality between AA and HCC is challenging.

关键词： aristolochic acid hepatocellular carcinoma urinary cancer drug safety retrospective study

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Probing the dynamic thermodynamic resolution and biological activity of Cu(Ⅱ) and Pd(Ⅱ) complexes with Schiff base ligand derived from proline

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Chinese Chemical Letters 2024年第4期35卷 99-105页

作者： tao yu Vadim A.Soloshonok Zhekai xiao Hong Liu Jiang Wang State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China School of Pharmacy University of Chinese Academy of SciencesBeijing 100049China Department of Organic Chemistry Ⅰ Faculty of ChemistryUniversity of the Basque Country UPV/EHUSan Sebastian 20018Spain IKERBASQUE Basque Foundation for ScienceBilbao 48013Spain School of Pharmaceutical Science and Technology Hangzhou Institute for Advanced StudyUCASHangzhou 310024China Lingang Laboratory Shanghai 200031China

Schiff base metal complexes are of great importance in pharmaceutical science owing to their unique chemical properties, which enable them to exhibit diverse biological activities such as anti-bacterial,anti-oxidant, anti-inflammatory, and anti-tumor properties. Furthermore, Schiff base metal complexes can serve as reagents and catalysts in chemical reactions. This review aims to provide an overview of our recently published studies on Cu(Ⅱ) and Pd(Ⅱ) complexes derived from proline Schiff base ligands. We also discuss the potential applications of these metal complexes in the fields of antibacterial and chiral resolution.

关键词： Schiff bases Biological activity Tailor-made amino acids Asymmetric synthesis Chiral tridentate ligands Square-planar Cu(Ⅱ)-complexes Square-planar Pd(Ⅱ)-complexes

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Spatial heterogeneity and compositional profiles of dissolved organic matter in farmland soils across China' Mainland

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Journal of Environmental Sciences 2024年第3期137卷 593-603页

作者： Bingjun Han Liyuan Chen Kang xiao Yang Liu Dong Cao Lu yu yujun Li Shu tao Wenxin Liu Key Laboratory for Earth Surface Processes College of Urban and Environmental SciencesPeking UniversityBeijing 100871China Beijing Yanshan Earth Critical Zone National Research Station College of Resources and EnvironmentUniversity of Chinese Academy of SciencesBeijing 101408China Center for Water and Ecology State Key Joint Laboratory of Environment Simulation and Pollution ControlSchool of EnvironmentTsinghua UniversityBeijing 100084China State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental ScienceChinese Academy of SciencesBeijing 100085China

Dissolved organic matter(DOM) plays an essential role in many geochemical processes,however its complexity, chemical diversity, and molecular composition are poorly understood. Soil samples were collected from 500 vegetable fields in administrative regions of China' Mainland, of which 122 were selected for further investigation. DOM properties were characterized by three-dimensional excitation-emission matrix(3D-EEM) fuorescence spectroscopy and Fourier transform ion cyclotron resonance mass spectrometry(FTICRMS)(field intensity is 15 Tesla). Our results indicated that the main constituents were UVA humic-like substances, humic-like substances, fulvic acid-like substances, and tyrosine-like substances. A total of 10,989 molecular formulae with a mass range of 100.04 to 799.59 Da were detected, covering the mass spectrometric information of the soil samples from 27 different regions. CHO and CHON molecules were dominant in DOM, whereas lignin, tannins,and aromatic substances served as the main components. The results of cluster analysis revealed that the soil properties in Jiangxi Province were considerably different from those in other regions. The key backgrounds of the DOM molecular characteristics in the vegetablefield soil samples across China' Mainland were provided at the molecular level, with large abundance and great variability.

关键词： Dissolved organic matter(DOM) Fourier transform ion cyclotron resonance mass(FTICR-MS) Excitation-emission matrix(EEM) Vegetable-field soils China' Mainland

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Xuebijing improves intestinal microcirculation dysfunction in septic rats by regulating the VEGF-A/PI3K/Akt signaling pathway

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World Journal of Emergency Medicine 2024年第3期15卷 206-213页

作者： A-ling Tang Yan Li Li-chao Sun xiao-yu Liu Nan Gao Sheng-tao Yan Guo-qiang Zhang Department of Emergency China-Japan Friendship HospitalBeijing 100029China Graduate School Beijing University of Chinese MedicineBeijing 100105China

BACKGROUND:This study aims to explore whether Xuebijing(XBJ) can improve intestinal microcirculation dysfunction in sepsis and its mechanism.METHODS:A rat model of sepsis was established by cecal ligation and puncture(CLP).A total of 30 male SD rats were divided into four groups:sham group,CLP group,XBJ + axitinib group,and XBJ group.XBJ was intraperitoneally injected 2 h before CLP.Hemodynamic data(blood pressure and heart rate) were recorded.The intestinal microcirculation data of the rats were analyzed via microcirculation imaging.Enzyme-linked immunosorbent assay(ELISA) kits were used to detect the serum levels of interleukin-6(IL-6),C-reactive protein(CRP),and tumor necrosis factor-α(TNF-α) in the rats.Histological analysis and transmission electron microscopy were used to analyze the injury of small intestinal microvascular endothelial cells and small intestinal mucosa in rats.The expression of vascular endothelial growth factor A(VEGF-A),phosphoinositide 3-kinase(PI3K),phosphorylated PI3K(p-PI3K),protein kinase B(Akt),and phosphorylated Akt(p-Akt) in the small intestine was analyzed via Western blotting.RESULTS:XBJ improved intestinal microcirculation dysfunction in septic rats,alleviated the injury of small intestinal microvascular endothelial cells and small intestinal mucosa,and reduced the systemic inflammatory response.Moreover,XBJ upregulated the expression of VEGF-A,p-PI3K/total PI3K,and p-Akt/total Akt in the rat small intestine.CONCLUSION:XBJ may improve intestinal microcirculation dysfunction in septic rats possibly through the VEGF-A/PI3K/Akt signaling pathway.

关键词： Sepsis Xuebijing Vascular endothelial growth factor A Microcirculation Rat Phosphoinositide 3-kinase Protein kinase B

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Preoperative prediction of perineural invasion of rectal cancer based on a magnetic resonance imaging radiomics model:A dual-center study

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World Journal of Gastroenterology 2024年第16期30卷 2233-2248页

作者： Yan Liu Bai-Jin-tao Sun Chuan Zhang Bing Li xiao-Xuan yu Yong Du Department of Radiology The Affiliated Hospital of North Sichuan Medical CollegeNanchong 637000Sichuan ProvinceChina Department of Radiology The Affiliated Hospital of North Sichuan Medical CollegeNanchong 637000Sichuan ProvinceChina.duyong@***

BACKGROUND Perineural invasion(PNI)has been used as an important pathological indicator and independent prognostic factor for patients with rectal cancer(RC).Preoperative prediction of PNI status is helpful for individualized treatment of RC.Recently,several radiomics studies have been used to predict the PNI status in RC,demonstrating a good predictive effect,but the results lacked generalizability.The preoperative prediction of PNI status is still challenging and needs further study.AIM To establish and validate an optimal radiomics model for predicting PNI status preoperatively in RC patients.METHODS This retrospective study enrolled 244 postoperative patients with pathologically confirmed RC from two independent centers.The patients underwent preoperative high-resolution magnetic resonance imaging(MRI)between May 2019 and August 2022.Quantitative radiomics features were extracted and selected from oblique axial T2-weighted imaging(T2WI)and contrast-enhanced T1WI(T1CE)sequences.The radiomics signatures were constructed using logistic regression analysis and the predictive potential of various sequences was compared(T2WI,T1CE and T2WI+T1CE fusion sequences).A clinical-radiomics(CR)model was established by combining the radiomics features and clinical risk factors.The internal and external validation groups were used to validate the proposed models.The area under the receiver operating characteristic curve(AUC),DeLong test,net reclassification improvement(NRI),integrated discrimination improvement(IDI),calibration curve,and decision curve analysis(DCA)were used to evaluate the model performance.RESULTS Among the radiomics models,the T2WI+T1CE fusion sequences model showed the best predictive performance,in the training and internal validation groups,the AUCs of the fusion sequence model were 0.839[95%confidence interval(CI):0.757-0.921]and 0.787(95%CI:0.650-0.923),which were higher than those of the T2WI and T1CE sequence models.The CR model constructed by combining clinical risk factors had the best predictive

关键词： Rectal cancer Perineural invasion Magnetic resonance imaging Radiomics Nomogram

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Diabetes and high-glucose could upregulate the expression of receptor for activated C kinase 1 in retina

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World Journal of Diabetes 2024年第3期15卷 519-529页

作者： Jian Tan Ang xiao Lin Yang yu-Lin tao Yi Shao Qiong Zhou Department of Ophthalmology The First Affiliated HospitalJiangxi Medical CollegeNanchang UniversityNanchang 330006Jiangxi ProvinceChina

BACKGROUND Diabetic retinopathy(DR)is a major ocular complication of diabetes mellitus,leading to visual impairment.Retinal pigment epithelium(RPE)injury is a key component of the outer blood retinal barrier,and its damage is an important indicator of DR.Receptor for activated C kinase 1(RACK1)activates protein kinase C-ε(PKC-ε)to promote the generation of reactive oxygen species(ROS)in RPE cells,leading to apoptosis.Therefore,we hypothesize that the activation of RACK1 under hypoxic/high-glucose conditions may promote RPE cell apoptosis by modulating PKC-ε/ROS,thereby disrupting the barrier effect of the outer blood retinal barrier and contributing to the progression of DR.AIM To investigate the role and associated underlying mechanisms of RACK1 in the development of early DR.METHODS In this study,Sprague-Dawley rats and adult RPE cell line-19(ARPE-19)cells were used as in vivo and in vitro models,respectively,to explore the role of RACK1 in mediating PKC-εin early DR.Furthermore,the impact of RACK1 on apoptosis and barrier function of RPE cells was also investigated in the former model.RESULTS Streptozotocin-induced diabetic rats showed increased apoptosis and upregulated expression of RACK1 and PKC-εproteins in RPE cells following a prolonged modeling.Similarly,ARPE-19 cells exposed to high glucose and hypoxia displayed elevated mRNA and protein levels of RACK1 and PKC-ε,accompanied by an increases in ROS production,apoptosis rate,and monolayer permeability.However,silencing RACK1 significantly downregulated the expression of PKC-εand ROS,reduced cell apoptosis and permeability,and protected barrier function.CONCLUSION RACK1 plays a significant role in the development of early DR and might serve as a potential therapeutic target for DR by regulating RPE apoptosis and barrier function.

关键词： Diabetic retinopathy Receptor for activated C kinase 1 Protein kinase C-ε Adult retinal pigment epithelium cell line-19

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Advances of nanoparticles in transmucosal drug delivery

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Nano Research 2024年第4期17卷 2874-2885页

作者： Li Zhang Changwei Yang Yingxiang Song tao Sheng Junyan Li Jicheng yu xiaohong Wu xiao Ye Geriatric Medicine Center Department of EndocrinologyZhejiang Provincial People’s Hospital(Affiliated People’s HospitalHangzhou Medical College)Hangzhou 310014China Key Laboratory of Advanced Drug Delivery Systems of Zhejiang Province College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China Jinhua Institute of Zhejiang University Jinhua 321299China Liangzhu Laboratory Zhejiang University Medical CenterHangzhou 311121China Department of General Surgery Sir Run Run Shaw HospitalSchool of MedicineZhejiang UniversityHangzhou 310016China National Key Laboratory of Advanced Drug Delivery and Release Systems Zhejiang UniversityHangzhou 310058China Key Laboratory for Diagnosis and Treatment of Endocrine Gland Diseases of Zhejiang Province Hangzhou 310014China

Transmucosal drug administration represents a potential strategy for enhancing treatment efficacy and reducing side effects by avoiding the first-pass effect into the systemic circulation and delivering therapeutics directly to the target disease site.However,many challenges still remain in its clinical application,including low drug availability and limited retention time in the mucosa.The burgeoning advancement of nanotechnologies offers great potential to overcome the above limitations,leveraging their distinct advantages of high drug-loading capacity and strong permeability.In this review,the latest developments of nanoparticles(NPs)in transmucosal drug delivery as well as their clinical applications are discussed.

关键词： nanoparticles(NPs) transmucosal drug delivery mucosal barriers biomaterials

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