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First-principles study on the heterogeneous formation of environmentally persistent free radicals(EPFRs)overα-Fe2O3(0001)surface:Effect of oxygen vacancy

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Journal of Environmental Sciences 2024年第8期142卷 279-289页

作者： Wenxiao Pan Shuming He qiao xue Xian Liu Jianjie Fu Kang Xiao Aiqian Zhang State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China School of Environment Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of SciencesHangzhou 310012China College of Resources and Environment University of Chinese Academy of SciencesBeijing 100049China Beijing Yanshan Earth Critical Zone National Research Station University of Chinese Academy of SciencesBeijing 101408China

Metal oxides with oxygen vacancies have a significant impact on catalytic activity for the transformation of organic pollutants in waste-to-energy(WtE)incineration processes.This study aims to investigate the influence of hematite surface oxygen point defects on the formation of environmentally persistent free radicals(EPFRs)from phenolic compounds based on the first-principles calculations.Two oxygen-deficient conditions were considered:oxygen vacancies at the top surface and on the subsurface.Our simulations indicate that the adsorption strength of phenol on theα-Fe_(2)O_(3)(0001)surface is enhanced by the presence of oxygen vacancies.However,the presence of oxygen vacancies has a negative impact on the dissociation of the phenol molecule,particularly for the surface with a defective point at the top layer.Thermo-kinetic parameters were established over a temperature range of300-1000 K,and lower reaction rate constants were observed for the scission of phenolic O-H bonds over the oxygen-deficient surfaces compared to the pristine surface.The negative effects caused by the oxygen-deficient conditions could be attributed to the local reduction of FeⅢto FeⅡ,which lower the oxidizing ability of surface reaction sites.The findings of this study provide us a promising approach to regulate the formation of EPFRs.

关键词： EPFR formation Phenol dissociation Oxygen-vacancy impact Hematite surface First-principles calculation

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Mean estimation over numeric data with personalized local differential privacy

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Frontiers of Computer Science 2022年第3期16卷 183-192页

作者： qiao xue Youwen ZHU Jian WANG College of Computer Science and Technology Nanjing University of Aeronautics and AstronauticsNanjing 211106China Guangxi Key Laboratory of Trusted Software Guilin University of Electronic TechnologyGuilin 541004China School of Cyber Security Gansu University of Political Science and LawLanzhou 730070China

The fast development of the Internet and mobile devices results in a crowdsensing business model,where individuals(users)are willing to contribute their data to help the institution(data collector)analyze and release useful information.However,the reveal of personal data will bring huge privacy threats to users,which will impede the wide application of the crowdsensing model.To settle the problem,the definition of local differential privacy(LDP)is proposed.Afterwards,to respond to the varied privacy preference of users,resear-chers propose a new model,i.e.,personalized local differential privacy(PLDP),which allow users to specify their own privacy parameters.In this paper,we focus on a basic task of calculating the mean value over a single numeric attribute with PLDP.Based on the previous schemes for mean estimation under LDP,we employ PLDP model to design novel schemes(LAP,DCP,PWP)to provide personalized privacy for each user.We then theoretically analysis the worst-case variance of three proposed schemes and conduct experiments on synthetic and real datasets to evaluate the performance of three methods.The theoretical and experimental results show the optimality of PWP in the low privacy regime and a slight advantage of DCP in the high privacy regime.

关键词： personalized local differential privacy mean estimation crowdsensing model

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Parotid metastasis of rare lung adenocarcinoma:A case report

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World Journal of Clinical Cases 2024年第6期12卷 1182-1189页

作者： Ru-Xi Yan Lin-Bo Dou Zi-Jia Wang xue qiao Hong-Hai Ji Yan-Cong Zhang School of Stomatology Weifang Medical UniversityWeifang 261000Shandong ProvinceChina Department of Stomatology Dezhou People’s HospitalDezhou 253000Shandong ProvinceChina Department of Stomatology Dezhou Women and Children's HospitalDezhou 253000Shandong ProvinceChina

BACKGROUND Lung cancer(LC)is the leading cause of malignancy-related deaths worldwide.The most common sites of metastasis include the nervous system,bone,liver,respiratory system,and adrenal glands.LC metastasis in the parotid gland is very rare,and its diagnosis presents a challenge.Here,we report a case of parotid metastasis in primary LC.CASE SUMMARY The patient was a 74-year-old male who was discovered to have bilateral facial asymmetry inadvertently two years ago.The right earlobe was slightly swollen and without pain or numbness.Computed tomography(CT)examination showed bilateral lung space-occupying lesions.Pulmonary biopsy was performed and revealed adenocarcinoma(right-upper-lung nodule tissue).Positron emission tomography-CT examination showed:(1)Two hypermetabolic nodules in the right upper lobe of the lung,enlarged hy-permetabolic lymph nodes in the right hilar and mediastinum,and malignant space-occupying lesion in the right upper lobe of the lung and possible metastasis to the right hilar and mediastinal lymph nodes;and(2)multiple hypermetabolic nodules in bilateral parotid glands.Parotid puncture biopsy was performed considering lung adenocarcinoma metastasis.Gene detection of lung biopsy specimens revealed an EGFR gene 21 exon L858R mutation.CONCLUSION This case report highlights the challenging diagnosis of parotid metastasis in LC given its rare nature.Such lesions should be differentiated from primary tumors of the parotid gland.Simple radiological imaging is unreliable,and puncture biopsy is needed for final diagnosis of this condition.

关键词： Lung cancer Metastasis Parotid gland Pathology Positron emission tomography/computed tomography Case report

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口蹄疫病毒:一种抑制天然免疫的新机制

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中国兽医科学 2024年第6期54卷 851-851页

作者： Huisheng Liu qiao xue Fan Yang Weijun Cao Pengfei Liu Xiangtao Liu Zixiang Zhu Haixue Zheng

口蹄疫是由口蹄疫病毒(FMDV)感染猪、牛、绵羊、山羊等偶蹄类动物引起的烈性传染病,对我国及世界畜牧业造成了严重影响,世界动物卫生组织将其列为法定报告疫病,我国将其列为一类动物疫病。疫苗接种是预防口蹄疫的有效措施,但FMDV免疫抑... 详细信息

口蹄疫是由口蹄疫病毒(FMDV)感染猪、牛、绵羊、山羊等偶蹄类动物引起的烈性传染病,对我国及世界畜牧业造成了严重影响,世界动物卫生组织将其列为法定报告疫病,我国将其列为一类动物疫病。疫苗接种是预防口蹄疫的有效措施,但FMDV免疫抑制严重,能迅速突破宿主免疫系统,造成FMDV的高效复制与烈性传播。FMDV包含约8.5kb的基因组,其编码单个多蛋白,该多蛋白在翻译后被切割成成熟的结构蛋白和非结构蛋白,包括Lpro、VP1、VP2、VP3、VP4、2A、2B、2C、3A、3B、3Cpro和3Dpol。

关键词：世界动物卫生组织口蹄疫病毒烈性传染病一类动物疫病疫苗接种非结构蛋白免疫抑制法定报告

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Licorice-saponin A3 is a broad-spectrum inhibitor for COVID-19 by targeting viral spike and anti-inflammation

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Journal of Pharmaceutical Analysis 2024年第1期14卷 115-127页

作者： Yang Yi Wenzhe Li Kefang Liu Heng xue Rong Yu Meng Zhang Yang-Oujie Bao Xinyuan Lai Jingjing Fan Yuxi Huang Jing Wang Xiaomeng Shi Junhua Li Hongping Wei Kuanhui Xiang Linjie Li Rong Zhang Xin Zhao xue qiao Hang Yang Min Ye State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing100191China Yunnan Baiyao International Medical Research Center Peking UniversityBeijing100191China CAS Key Laboratory of Pathogen Microbiology and Immunology Institute of MicrobiologyChinese Academy of SciencesBeijing100101China CAS Key Laboratory of Special Pathogens and Biosafety Center for Biosafety Mega-ScienceWuhan Institute of VirologyChinese Academy of SciencesWuhan430071China University of Chinese Academy of Sciences Beijing100049China Department of Microbiology and Infectious Disease Center School of Basic Medical SciencesPeking University Health Science CenterPeking UniversityBeijing100191China Hubei Jiangxia Laboratory Wuhan430000China Shenzhen Children's Hospital ShenzhenGuangdong518036China

Currently,human health due to corona virus disease 2019(COVID-19)pandemic has been seriously threatened.The coronavirus severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)spike(S)protein plays a crucial role in virus transmission and several S-based therapeutic approaches have been approved for the treatment of COVID-19.However,the efficacy is compromised by the SARS-CoV-2 evolvement and mutation.Here we report the SARS-CoV-2 S protein receptor-binding domain(RBD)inhibitor licorice-saponin A3(A3)could widely inhibit RBD of SARS-CoV-2 variants,including Beta,Delta,and Omicron BA.1,XBB and BQ1.1.Furthermore,A3 could potently inhibit SARS-CoV-2 Omicron virus in Vero E6 cells,with EC50 of 1.016μM.The mechanism was related to binding with Y453 of RBD determined by hydrogen-deuterium exchange mass spectrometry(HDX-MS)analysis combined with quantum mechanics/molecular mechanics(QM/MM)simulations.Interestingly,phosphoproteomics analysis and multi fluorescent immunohistochemistry(mIHC)respectively indicated that A3 also inhibits host inflammation by directly modulating the JNK and p38 mitogen-activated protein kinase(MAPK)pathways and rebalancing the corresponding immune dysregulation.This work supports A3 as a promising broad-spectrum small molecule drug candidate for COVID-19.

关键词： COVID-19 Inflammation Licorice-saponin A3 Receptor-binding domain(RBD) SARS-CoV-2

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Network Pharmacology-Based Dissection of the Bioactive Compounds and Pharmacological Mechanisms of Yiqi Fumai Lyophilized Injection for the Treatment of Heart Failure

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World Journal of Traditional Chinese Medicine 2024年第1期10卷 75-82页

作者： Yu-Xi Huang Jing-Jing Fan Lu-Lu Xu Rong Yu Yi Kuang Yue Chai Rui Zheng Xiao-Yu Zhang Hong-Cai Shang xue qiao Min Ye State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijingChina Key Laboratory of Chinese Internal Medicine of Ministry of Education Dongzhimen HospitalBeijing University of Chinese MedicineBeijingChina Yunnan Baiyao International Medical Research Center Peking UniversityBeijingChina Key Laboratory of Molecular Cardiovascular Sciences of Ministry of Education Peking UniversityBeijingChina

Objective:Yiqi Fumai Lyophilized Injection(YQFM),a Chinese medicine injection,has been widely used for the treatment of cardiovascular diseases,especially heart failure(HF).However,bioactive compounds and underlying mechanisms of YQFM in treating HF remain poorly understood.Materials and Methods:Network pharmacology was employed to investigate the bioactive compounds and mechanisms of YQFM.A compound-target network was constructed to screen bioactive compounds based on contribution index calculation.Then,an adriamycin-induced HF rat model was established to evaluate the cardio-protective effects of YQFM by hematoxylin and eosin staining and enzyme-linked immunosorbent assays.Results:Network pharmacology indicated that YQFM may alleviate HF through 36 compounds and 109 targets.Particularly,ginsenosides Rb1,Rg1,Re,Rf,Rb2,Rh1,schisandrin,and ginsenoside Rc were indicated as the top contributors of YQFM in treating HF.YQFM was predicted to act on multiple targets such as vascular endothelial growth factor A,interleukin-2(IL-2),IL-6,and IL-1β,as well as to regulate signaling pathways such as hypoxia-inducible factor 1,tumor necrosis factor,VEGF,and PI3K-Akt.The pharmacological study suggested that YQFM could attenuate cardiac injury and up-regulate plasma concentrations of VEGFR-1 and NO in HF rats.Ginsenoside Rb1,as the major contributor from network pharmacology analysis,also showed a cardioprotective effect and up-regulation of VEGFR-1 in plasma.Conclusions:Ginsenosides and schisandrin were predicted as the most important contributors to the cardioprotective effect of YQMF.Ginsenoside Rb1 was proved to alleviate HF and increase the plasma concentration of VEGFR-1.

关键词： Contribution index heart failure network pharmacology traditional Chinese medicine yiqi fumai lyophilized injection

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The DEAD-Box RNA Helicase DDX1 Interacts with the Viral Protein 3D and Inhibits Foot-and-Mouth Disease Virus Replication

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Virologica Sinica 2019年第6期34卷 610-617页

作者： qiao xue Huisheng Liu qiaoying Zeng Haixue Zheng Qinghong xue xuepeng Cai Laboratory of Veterinary Microbiology College of Veterinary MedicineGansu Agricultural UniversityLanzhou 730070China State Key Laboratory of Veterinary Etiological Biology National Foot and Mouth Diseases Reference LaboratoryKey Laboratory of Animal Virology of Ministry of AgricultureLanzhou Veterinary Research InstituteChinese Academy of Agricultural SciencesLanzhou 730046China China Institute of Veterinary Drug Control Beijing 100081China

Foot-and-mouth disease virus(FMDV)can infect domestic and wild cloven-hoofed animals.The non-structural protein 3D plays an important role in FMDV replication and pathogenesis.However,the interaction partners of 3D,and the effects of those interactions on FMDV replication,remain incompletely elucidated.In the present study,using the yeast two-hybrid system,we identified a porcine cell protein,DEAD-box RNA helicase 1(DDX1),which interacted with FMDV 3D.The DDX1-3D interaction was further confirmed by co-immunoprecipitation experiments and an indirect immunofluorescence assay(IFA)in porcine kidney 15(PK-15)cells.DDX1 was reported to either inhibit or facilitate viral replication and regulate host innate immune responses.However,the roles of DDX1 during FMDV infection remain unclear.Our results revealed that DDX1 inhibited FMDV replication in an ATPase/helicase activity-dependent manner.In addition,DDX1 stimulated IFN-p activation in FMDV-infected cells.Together,our results expand the body of knowledge regarding the role of DDX1 in FMDV infection.

关键词： Foot-and-mouth disease virus(FMDV) Interaction DEAD-box RNA helicase 1(DDX1) Antiviral function Interferon

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Inhibition of thrombin by functionalized C_(60)nanoparticles revealed via in vitro assays and in silico studies

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Journal of Environmental Sciences 2018年第1期30卷 285-295页

作者： Yanyan Liu Jianjie Fu Wenxiao Pan qiao xue Xian Liu Aiqian Zhang State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China College of Resources and Environment University of Chinese Academy of SciencesBeijing 100190China Institute of Environment and Health Jianghan UniversityWuhan 430056China

The studies on the human toxicity of nanoparticles（NPs） are far behind the rapid development of engineered functionalized NPs. Fullerene has been widely used as drug carrier skeleton due to its reported low risk. However, different from other kinds of NPs, fullerene-based NPs（C_（60） NPs） have been found to have an anticoagulation effect, although the potential target is still unknown. In the study, both experimental and computational methods were adopted to gain mechanistic insight into the modulation of thrombin activity by nine kinds of C_（60） NPs with diverse surface chemistry properties. In vitro enzyme activity assays showed that all tested surface-modified C_（60） NPs exhibited thrombin inhibition ability. Kinetic studies coupled with competitive testing using 3 known inhibitors indicated that six of the C_（60） NPs, of greater hydrophobicity and hydrogen bond（HB） donor acidity or acceptor basicity, acted as competitive inhibitors of thrombin by directly interacting with the active site of thrombin. A simple quantitative nanostructure-activity relationship model relating the surface substituent properties to the inhibition potential was then established for the six competitive inhibitors.Molecular docking analysis revealed that the intermolecular HB interactions were important for the specific binding of C_（60） NPs to the active site canyon, while the additional stability provided by the surface groups through van der Waals interaction also play a key role in the thrombin binding affinity of the NPs. Our results suggest that thrombin is a possible target of the surface-functionalized C_（60） NPs relevant to their anticoagulation effect.

关键词： Thrombin C_（60） nanoparticle（NP） Surface modification Activity inhibition Quantitative nanostructure-activity relationship Molecular docking

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Comparison of coronary DES and BMS in octogenarians: A systematic review and meta-analysis

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Journal of Geriatric Cardiology 2013年第4期10卷 336-343页

作者： Lei Gao Xin Hu Yu-Qi Liu qiao xue Yu Wang Institute of Geriatric Cardiology Chinese PLA General Hospital No.28 Fuxing Road Haidian District Beijing 100853 China

OBJECTIVE: Uncertainty exists regarding the relative performance of drug-eluting stents (DES) versus bare-metal stents (BMS) in octogenarians undergoing percutaneous coronary intervention (PCI)。 We undertook a meta-analysis to assess outcomes for DES and BMS in octogenarians undergoing PCI。 METHODS: Electronic data bases of PubMed, Cochrane, and EMBASE were searched。 We included randomized, controlled clinical trials (RCT) and observational studies comparing DES and BMS in octogenarians receiving PCI。 The methodological qualities of eligible trials were assessed using a 'risk of bias' tool。 The endpoints included all-cause death, major adverse cardiac events (MACE), myocardial infarction (MI), target vessel revascularization (TVR), major bleeding, and stent thrombosis (ST)。 Odds ratios (OR) and 95% confidence intervals (95% CI) were calculated for each endpoint。 RESULTS: A total of one RCT and six observational studies were included and analyzed in this meta-analysis。 All trials were of acceptable quality。 At 30 days, compared with DES-treated patients, BMS-treated patients had a higher incidence of mortality (OR:3.91,95% CI:1.10-13.91; P =0.03)。 The OR for MACE (1.52,95% CI:0.56-4.17; P =0.13), MI (0.81,95% CI:0.37-2.17; P =0.23), TVR (0.75,95% CI:0.17-3.41; P=0.41), major bleeding (0.77,95% CI:0.35-1.68; P =0.43),and ST (1.44,95% CI:0.32-6.45; P =0.33) did not reach statistical significance。 At one year follow-up, the OR did not favor BMS over MACE (MACE, defined as the composite of death, myocardial infarction, and TVR) (1.87,95% CI:1.22-2.87; P 1 year follow-up, the OR for all endpoints, including mortality, MACE, MI, TVR, major bleeding, and ST, did not reach statistical significance。 CONCLUSIONS: Our meta-analysis suggests that DES is asso

关键词： Bare-metal stents Drug-eluting stents Meta-analysis Octogenarians Percutaneous coronary intervention

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Foot-and-Mouth Disease Virus Inhibits RIP2 Protein Expression to Promote Viral Replication

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Virologica Sinica 2021年第4期36卷 608-622页

作者： Huisheng Liu qiao xue Zixiang Zhu Fan Yang Weijun Cao Xiangtao Liu Haixue Zheng State Key Laboratory of Veterinary Etiological Biology National Foot and Mouth Diseases Reference LaboratoryKey Laboratory of Animal Virology of Ministry of AgricultureLanzhou Veterinary Research InstituteChinese Academy of Agricultural SciencesLanzhou 730046China

Receptors interaction protein 2(RIP2)is a specific adaptor molecule in the downstream of NOD2.The role of RIP2 during foot-and-mouth disease virus(FMDV)infection remains unknown.Here,our results showed that RIP2 inhibited FMDV replication and played an important role in the activation of IFN-βand NF-κB signal pathways during FMDV infection.FMDV infection triggered RIP2 transcription,while it reduced the expression of RIP2 protein.Detailed analysis showed that FMDV 2B,2C,3C^(pro),and L^(pro) proteins were responsible for inducing the reduction of RIP2 protein.3C^(pro) and L^(pro) are viral proteinases that can induce the cleavage or reduction of many host proteins and block host protein synthesis.The carboxyl terminal 105-C114 and 135-C144 regions of 2B were essential for reduction of RIP2.Our results also showed that the N terminal 1-61 region of 2C were essential for the reduction of RIP2.The 2C-induced reduction of RIP2 was dependent on inducing the reduction of poly(A)-binding protein 1(PABPC1).The interaction between RIP2 and 2C was observed in the context of viral infection,and the residues 1-61 were required for the interaction.These data clarify novel mechanisms of reduction of RIP2 mediated by FMDV.

关键词： Foot-and-mouth disease virus(FMDV) Receptors interaction protein 2(RIP2) PABPC1 2C Immune evasion

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