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High-throughput screening of CO_(2) cycloaddition MOF catalyst with an explainable machine learning model

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Green Energy & Environment 2025年第1期10卷 132-138页

作者： Xuefeng Bai Yi Li Yabo Xie Qiancheng Chen Xin Zhang jian-rong Li Beijing Key Laboratory for Green Catalysis and Separation and Department of Chemical Engineering College of Materials Science&EngineeringBeijing University of TechnologyBeijing100124China

The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design ***-throughput screening of catalytic performance is feasible since the large MOF structure database is *** this study,we report a machine learning model for high-throughput screening of MOF catalysts for the CO_(2) cycloaddition *** descriptors for model training were judiciously chosen according to the reaction mechanism,which leads to high accuracy up to 97%for the 75%quantile of the training set as the classification *** feature contribution was further evaluated with SHAP and PDP analysis to provide a certain physical understanding.12,415 hypothetical MOF structures and 100 reported MOFs were evaluated under 100℃ and 1 bar within one day using the model,and 239 potentially efficient catalysts were *** them,MOF-76(Y)achieved the top performance experimentally among reported MOFs,in good agreement with the prediction.

关键词： Metal-organic frameworks High-throughput screening Machine learning Explainable model CO_(2)cycloaddition

Different Acupuncture Therapies for Postherpetic Neuralgia:An Overview of Systematic Reviews and Meta-analysis

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Chinese Journal of Integrative Medicine 2025年第1期31卷 55-67页

作者： XIA Yun-fan SUN Ruo-han LI Shi-min WANG Yi-yi LI rong-rong FANG jian-qiao The Third Clinical Medical College of Zhejiang Chinese Medical University Hangzhou310000China Department of Rehabilitation Medicine Hangzhou Third People’s Hospital Affiliated to Zhejiang Chinese Medical UniversityHangzhou310000China Department of Acupuncture the Third Affiliated Hospital of Zhejiang Chinese Medical UniversityHangzhou310000China

Background: Postherpetic neuralgia(PHN) is the most common complication of herpes zoster infection and affects patients' quality of life. Acupuncture therapy is regarded as a competitive method of treatment for analgesia. Objective: To summarize evidence from systematic reviews(SRs) and evaluate the effectiveness and safety of different acupuncture therapies for treating PHN. Methods: Eight electronic databases were searched from their inception to August 5, 2022, including 4 international electronic databases(PubMed, EMBASE, the Cochrane Library, and Web of Science) and 4 Chinese databases(Chinese Biomedical Database, China National Knowledge Infrastructure, VIP Database and Wanfang Database).Methodological quality was assessed by A Measurement Tool to Assess Systematic Reviews 2(AMSTAR 2).The Risk of Bias in Systematic Review(ROBIS) tool was used to assess the risk of bias in SRs. Evidence level was assessed by the Grading of Recommendations Assessment, Development, and Evaluation(GRADE)approach. Results: Totally, 7 SRs were included, including 128 studies and 9,792 patients. In AMSTAR 2, most of the SRs were of low or critically low levels since they had more than 1 critical deficiency. In ROBIS, 1 SR(14.29%)was rated as high risk, and the other 6(85.71%) were rated as low risk. In the GRADE system, 9 outcomes(28.13%)were valued as high level, 5(15.63%) as moderate level, 1(3.13%) as low, and 17(53.13%) as very low. In the effectiveness of acupuncture therapy, the group "moxibustion vs. original medical treatment" [mean difference(MD)=–1.44, 95% confidence interval(CI): –1.80 to –1.08, I2=99%, P<0.00001] was of the highest heterogeneity and the group "bloodletting vs. original medical treatment"(MD=–2.80, 95% CI: –3.14 to –2.46, I2=0, P<0.00001)was of the lowest heterogeneity. Six SRs have reported the safety of their studies and no serious events were shown in the treatment and control groups. Conclusions: Acupuncture therapy seems to be effective in treating PH

关键词： acupuncture postherpetic neuralgia systematic review Chinese medicine

Superradiant growth anomaly magnification in evolution of vector bosonic condensates bounded by a Kerr black hole with near-horizon reflection

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Science China(Physics,Mechanics & Astronomy) 2025年第04期Mechanics & Astronomy) .卷 66-85页

作者： Nayun Jia Yin-Da Guo Gui-rong Liang Zhan-Feng mai Xin Zhang Department of Physics Southern University of Science and Technology Key Laboratory of Cosmology and Astrophysics (Liaoning) & College of Sciences Northeastern University Institute of Frontier and Interdisciplinary Science Key Laboratory of Particle Physics and Particle Irradiation (Ministry of Education)Shandong University School of Materials Science and Physics China University of Mining and Technology Kavli Institute for Astronomy and Astrophysics Peking University Guangxi Key Laboratory for Relativistic Astrophysics School of Physical Science and TechnologyGuangxi University Key Laboratory of Data Analytics and Optimization for Smart Industry (Ministry of Education) Northeastern University National Frontiers Science Center for Industrial Intelligence and Systems Optimization Northeastern University

Ultralight vector particles can form evolving condensates around a Kerr black hole （BH） due to superradiant *** study the effect of near-horizon reflection on the evolution of this system:by matching three pieces of asymptotic expansions of the Proca equation in Kerr metric and considering the leading order in the electric mode,we present explicit analytical expressions for the corrected spectrum and the superradiant instability ***,in high-spin BH cases,we identify an anomalous situation where the superradiance rate is temporarily increased by the reflection parameter R,which also occurs in the scalar scenario,but is largely magnified in vector condensates due to a faster growth rate in dominant *** point out that the conditio√n for the growth anomaly in the adiabatic case is that information carried per particle exceeds a certain value■.We further construct several featured quantities to illustrate it,and formalize the anomalyinduced gravitational wave strain deformation.

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ZIF-90-loaded DNAzyme-responsive PROTAC for the self-powered degradation of NF-κB

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Science China Chemistry 2025年第2期68卷 687-693页

作者： Min Hou Liang Sun Tianyu Ren Mingda Li Chao Hu rong Liu Shuang Gu Mingyan jiang jian-Hui jiang jianjun He College of Physics and Chemistry Hunan First Normal UniversityChangsha 410205China Hunan Provincial Key Laboratory of Animal Models and Molecular Medicine College of Biomedical SciencesCollege of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China Xiangtan Central Hospital Xiangtan 411199China

Transcription factors(TFs)play vital roles in regulating gene *** or mutated TFs are implicated in a wide array of diseases,highlighting their potential as drug ***,TFs are considered undruggable by conventional inhibitor-based *** recently emerged proteolysis targeting chimeras(PROTACs)have exhibited great potential in tackling *** particular,DNA-ligand chimeras that arm E3 ligase-recruiting ligands to TF-binding double-strand DNA represent a promising strategy for the targeted proteolysis of ***,we report a DNAzyme-inducible PROTAC(DzTAC)that selectively degrades NF-κB in a zinc ion-dependent *** further applied zinc-imidazolate metal–organic framework90(ZIF-90)to encapsulate DzTAC(ZIF-90@DzTAC),facilitating its delivery into cancer cells while self-supplying Zn2+via adenosine triphosphate(ATP)-triggered ZIF-90 ***,ZIF-90@DzTAC can enhance the treatment efficacy of doxorubicin-based chemotherapy in tumor-bearing *** developed DzTAC provides specific modulation over TF activity and opens an avenue for more functional nucleic acid-based control over targeted protein degradation.

关键词： inducible proteolysis DNAzyme transcription factor ZIF-90 NF-κB

Association between intra-pancreatic fat deposition and diseases of the exocrine pancreas: A narrative review

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World Journal of Gastroenterology 2025年第2期31卷 27-41页

作者： Jing Ye jian-Guo Wang rong-Qiang Liu Qiao Shi Wei-Xing Wang Department of General Surgery Renmin Hospital of Wuhan UniversityWuhan 430060Hubei ProvinceChina Department of Pancreatic Surgery Renmin Hospital of Wuhan UniversityWuhan 430060Hubei ProvinceChina

Intrapancreatic fat deposition(IPFD)has garnered increasing attention in recent *** prevalence of IPFD is relatively high and associated with factors such as obesity,age,and ***,the pathophysiological mechanisms underlying IPFD remain unclear,with several potential contributing factors,including oxida-tive stress,alterations in the gut microbiota,and hormonal *** was found to be highly correlated with the occurrence and prognosis of exocrine pan-creatic *** imaging techniques remain the primary diagnostic approach for IPFD,an expanding array of biomarkers and clinical scoring systems have been identified for screening ***,effective treatments for IPFD are not available;however,existing medications,such as glucagon-like peptide-1 receptor agonists,and new therapeutic approaches explored in animal models have shown considerable potential for managing this *** paper reviews the pathogenesis of IPFD,its association with exocrine pancreatic disea-ses,and recent advancements in its diagnosis and treatment,emphasizing the significant clinical relevance of IPFD.

关键词： Intrapancreatic fat deposition Pancreatic steatosis Nonalcoholic fatty pancreas disease Pancreatitis Pancreatic cancer

In situ measurement of environmental γ radiation dose rates of key nuclides for large radioactive surface sources

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Nuclear Science and Techniques 2025年第1期36卷 69-79页

作者： Ze-Qian Wu jian Sun Wei-Qi Huang Bai-rong Wang Jin-Xing Cheng jiang-Feng Wu Yong-Hong Wang Biao Yuan Sheng Qi Kun Shan Institute of NBC Defence Beijing 102205China Beijing New-High Technology Academy Beijing 100094China

To monitor nuclear and radiation emergencies,it is crucial to obtain accurate in situ measurements of the environmentalγ radiation dose rate from key radionuclides,particularly for large radioactive surface *** methods currently used for measuring dose rates are inadequate for obtaining the dose rates of key radionuclides and have large angular response errors when monitoring surface *** address this practical problem,this study proposes three methods for measuring the dose rate:the weighted peak total ratio,mean value regression,and numerical integration *** methods are based on energy-spectrum measurement data,and they were theoretically derived and numerically ***,a 1-m-long hexagonal radioactive surface source was integrated into a larger surface *** situ measurement experiments were conducted on a large radioactive surface source using a dose-rate meter and a portable HPGespectrometer to analyze the errors of the three aforementioned methods and verify their validity.

关键词： Environmentalγradiation dose rate HPGespectrometer Key radionuclides Radioactive surface source

Identification of a dual functional betulinic acid analog for the treatment of osteoarthritis by phenotypic screening

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Science China(Life Sciences) 2025年第1期68卷 300-302页

作者： Ze-Min Lin mai Xiang Wen-Hui Wei Shu-Hui Fan Li Chen Jie Wang Xiao-Qian Yang Chun-Hao Yang Shi-Jun He jian-Ping Zuo Laboratory of Immunopharmacology State Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China School of Pharmacy University of Chinese Academy of SciencesBeijing 100049China School of Pharmacy Nanjing University of Chinese MedicineNanjing 210023China State Key Laboratory of Drug Research Department of Medicinal ChemistryShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Innovation Research Institute of Traditional Chinese Medicine Shanghai University of Traditional Chinese MedicineShanghai 201203China Experiment Center for Science and Technology Shanghai University of Traditional Chinese MedicineShanghai 201203China

Dear Editor,Phenotypic drug discovery,which observes compound effects on physiology,has given way to targeting specific molecules,but has revived by using modern methods to find drugs based on therapeutic outcomes in disease models(Vincent et al.,2022).Osteoarthritis(OA)is a prevalent chronic joint disorder,primarily affecting knee joints,with osteoclast activation due to low-grade inflammation resulting in increased bone resorption and structural changes in the joint(Katz et al.,2021).This imbalance and the discharge of inflammatory mediators perpetuate the cycle of inflammation and tissue ***,controlling inflammation and modulating osteoclastogenesis are critical therapeutic targets for managing OA.

关键词： inflammation drugs

Failure mechanisms of AlGaN/GaN HEMTs irradiated by high-energy heavy ions with and without bias

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Nuclear Science and Techniques 2025年第1期36卷 49-58页

作者： Pei-Pei Hu Li-Jun Xu Sheng-Xia Zhang Peng-Fei Zhai Ling Lv Xiao-Yu Yan Zong-Zhen Li Yan-rong Cao Xue-Feng Zheng jian Zeng Yuan He Jie Liu Institute of Modern Physics Chinese Academy of Sciences(CAS)Lanzhou 730000China Key Laboratory of Wide Band‑gap Semiconductor Materials Ministry of EducationXidian UniversityXi’an 710071China University of Chinese Academy of Sciences(UCAS) Beijing 100049China

Gallium nitride(GaN)-based devices have significant potential for space ***,the mechanisms of radiation damage to the device,particularly from strong ionizing radiation,remains *** study investigates the effects of radiation on p-gate AlGaN/GaN high-electron-mobility transistors(HEMTs).Under a high voltage,the HEMT leakage current increased sharply and was accompanied by a rapid increase in power density that caused"thermal burnout"of the *** addition,a burnout signature appeared on the surface of the burned devices,proving that a single-event burnout effect ***,degradation,including an increase in the on-resistance and a decrease in the breakdown voltage,was observed in devices irradiated with high-energy heavy ions and without *** latent tracks induced by heavy ions penetrated the heterojunction interface and extended into the GaN ***,a new type of N_(2)bubble defect was discovered inside the tracks using Fresnel *** accumulation of N_(2)bubbles in the heterojunction and buffer layers is more likely to cause leakage and *** study indicates that electrical stress accelerates the failure rate and that improving heat dissipation is an effective reinforcement method for GaN-based devices.

关键词： GaN HEMTs Heavy ions Single-event burnout Latent tracks Degradation

Unveiling expression patterns,mechanisms,and therapeutic opportunities of transmembrane protein 106C:From pan-cancers to hepatocellular carcinoma

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World Journal of Gastrointestinal Oncology 2025年第2期17卷 144-162页

作者： jian-Di Li rong-Quan He Yi-Wu Dang Zhi-Guang Huang Dan-Dan Xiong Lu Zhang Xiu-Fang Du Gang Chen Department of Pathology The First Affiliated Hospital of Guangxi Medical UniversityNanning 530021Guangxi Zhuang Autonomous RegionChina Department of Medical Oncology The First Affiliated Hospital of Guangxi Medical UniversityNanning 530021Guangxi Zhuang Autonomous RegionChina

BACKGROUND Although transmembrane protein 106C(TMEM106C)has been elucidated to be overexpressed in cancers,its underlying mechanisms have not yet been fully *** To investigate the expression levels and molecular mechanisms of TMEM106C across 34 different cancer types,including liver hepatocellular carcinoma(LIHC).METHODS We analyzed TMEM106C expression patterns in pan-cancers using microenvironment cell populations counter to evaluate its association with the tumor *** set enrichment analysis was conducted to identify molecular pathways related to *** immunoprecipitation followed by sequencing(ChIP-seq)analysis was conducted to identify upstream transcriptional regulators of *** LIHC,we examined mRNA profiles,performed in-house quantitative polymerase chain reaction,immunohistochemistry,and constructed a co-expression gene *** assays,including cell counting kit-8,cell cycle,apoptosis,migration,and invasion,were *** effect of nitidine chloride(NC)on LIHC xenograft was evaluated through RNA sequencing and molecular ***,potential therapeutic agents targeting TMEM106C were *** TMEM106C was significantly overexpressed in 27 different cancer types and presaged poor prognosis in four of these types,including *** pan-cancers,TMEM106C was inversely correlated to the abundances of immune and stromal ***,TMEM106C was significantly linked to cell cycle and DNA replication pathways in ***-seq analysis predicted CCCTC-binding factor as a pivotal transcriptional factor targeting the TMEM106C gene in *** analysis showed that TMEM106C was upregulated in 4657 LIHC compared with 3652 normal liver tissue[combined standardized mean difference=1.31(1.09,1.52)].Inhouse LIHC samples verified the expression status of *** TMEM106C expression signified worse survival conditions in LIHC patients treated with sorafenib,a tyrosin

关键词： Transmembrane protein 106C Pan-cancers Liver hepatocellular carcinoma Molecular biology Nitidine chloride