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Reverse metabolomics as a novel strategy to annotate the human metabolome

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Chinese Journal of Natural Medicines 2024年第4期22卷 289-290页

作者： yan Tingting nie Liangliang HAO Haiping State Key Laboratory of Natural Medicines China Pharmaceutical UniversityNanjing 211198China Laboratory of Metabolic Regulation and Drug Target Discovery School of PharmacyChina Pharmaceutical UniversityNanjing 210009China

Identifying chemical structures inhuman-derived samples presents significant challenges due to limited structural data obtained from untargeted metabolomics studies.When the chemical structures of molecules are closely related to the phenotypic status of human ecosystems,it becomes invaluable to devise a method for efficiently and systematically determining structures that correlate with the pathophysiological status of humans in a high-throughput approach.

关键词： Reverse metabolomics Human metabolome Combinational synthesis Bile amidates

Predictive model for non-malignant portal vein thrombosis associated with cirrhosis based on inflammatory biomarkers

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World Journal of Gastrointestinal Oncology 2024年第4期16卷 1213-1226页

作者： Guo-Le nie Jun yan Ying Li hong-Long Zhang Dan-Na Xie Xing-Wang Zhu Xun Li The First School of Clinical Medicine Lanzhou UniversityLanzhou 730000Gansu ProvinceChina Department of General Surgery The First Hospital of Lanzhou UniversityLanzhou 730000Gansu ProvinceChina

BACKGROUND Portal vein thrombosis(PVT),a complication of liver cirrhosis,is a major public health concern.PVT prediction is the most effective method for PVT diagnosis and treatment.AIM To develop and validate a nomogram and network calculator based on clinical indicators to predict PVT in patients with cirrhosis.METHODS Patients with cirrhosis hospitalized between January 2016 and December 2021 at the First Hospital of Lanzhou University were screened and 643 patients with cirrhosis who met the eligibility criteria were retrieved.Following a 1:1 propensity score matching 572 patients with cirrhosis were screened,and relevant clinical data were collected.PVT risk factors were identified using the least absolute shrinkage and selection operator(LASSO)and multivariate logistic regression analysis.Variance inflation factors and correlation matrix plots were used to analyze multicollinearity among the variables.A nomogram was constructed to predict the probability of PVT based on independent risk factors for PVT,and its predictive performance was verified using a receiver operating characteristic curve(ROC),calibration curves,and decision curve analysis(DCA).Finally,a network calculator was constructed based on the nomograms.RESULTS This study enrolled 286 cirrhosis patients with PVT and 286 without PVT.LASSO analysis revealed 13 variables as strongly associated with PVT occurrence.Multivariate logistic regression analysis revealed nine indicators as independent PVT risk factors,including etiology,ascites,gastroesophageal varices,platelet count,D-dimer,portal vein diameter,portal vein velocity,aspartate transaminase to neutrophil ratio index,and platelet-to-lymphocyte ratio.LASSO and correlation matrix plot results revealed no significant multicollinearity or correlation among the variables.A nomogram was constructed based on the screened independent risk factors.The nomogram had excellent predictive performance,with an area under the ROC curve of 0.821 and 0.829 in the training and testing groups,respectively.Calibr

关键词： Portal vein thrombosis Liver cirrhosis Nomogram Inflammatory markers Aspartate aminotransferase to neutrophil ratio index Platelet-to-lymphocyte ratio

Combined Promoting Effects of Specific Organic Functional Groups and Alumina Surface Characteristics for the Design of a Highly Efficient NiMo/Al_(2)O_(3) Hydrodesulfurization Catalyst

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China Petroleum Processing & Petrochemical Technology 2024年第1期26卷 1-11页

作者： Li Huifeng Li Mingfeng Zhang Le Wang Wei nie hong National Energy R&D Center of Petroleum Refining Technology SINOPEC Research Institute of Petroleum Processing Co.Ltd.Beijing 100083China

To prepare a highly efficient NiMo/Al_(2)O_(3) hydrodesulfurization catalyst,the combined effects of specific organic functional groups and alumina surface characteristics were investigated.First,the correlation between the surface characteristics of four different alumina and the existing Mo species states was established.It was found that the Mo equilibrium adsorption capacity can be used as a specific descriptor to quantitatively evaluate the changes in surface characteristics of different alumina.A lower Mo equilibrium adsorption capacity for alumina means weaker metal-support interaction and the loaded Mo species are easier to transform into MoS2.However,the Mo-O-Al bonds still exist at the metal-support interface.The introduction of cationic surfactant hecadecyl trimethyl ammonium bromide(CTAB)can further improve Mo species dispersion through electrostatic attraction with Mo anions and interaction of its alkyl chain with the alumina surface;meanwhile,the introduction of ethylenediamine tetraacetic acid(EDTA)can complex with Ni ions to enhance the Ni-promoting effect on Mo.Therefore,the NiMo catalyst designed using alumina with lower Mo equilibrium adsorption capacity and the simultaneous addition of EDTA and CTAB exhibits the highest hydrodesulfurization activity for 4,6-dimethyl dibenzothiophene because of its proper metal-support interaction and more well-dispersed Ni-Mo-S active phases.

关键词： alumina Mo equilibrium adsorption capacity organic functional groups metal-support interaction hydrodesulfurization

Radial solution of the Logarithmic Laplacian system

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Applied Mathematics(A Journal of Chinese Universities) 2024年第1期39卷 114-124页

作者： ZHANG Li-hong nie Xiao-feng WANG Guo-tao Bashir Ahmad School of Mathematics and Computer Science Shanxi Normal UniversityLinfen 041004China Nonlinear Analysis and Applied Mathematics(NAAM)Research Group Department of MathematicsFaculty of ScienceKing Abdulaziz UniversityJeddah 21589Saudi Arabia.

The paper generalizes the direct method of moving planes to the Logarithmic Laplacian system.Firstly,some key ingredients of the method are discussed,for example,Narrow region principle and Decay at infinity.Then,the ... 详细信息

关键词： the Logarithmic Laplacian system radial symmetry the direct method of moving planes

Neoadjuvant nivolumab with or without platinum-doublet chemotherapy based on PD-L1 expression in resectable NSCLC(CTONG1804):a multicenter open-label phase II study

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Signal Transduction and Targeted Therapy 2024年第1期9卷 249-258页

作者： Si-yang Liu Song Dong Xue-Ning yang Ri-Qiang Liao Ben-Yuan Jiang Qun Wang Xiao-Song Ben Gui-Bin Qiao Jun-Tao Lin hong-hong yan Li-Xu yan Qiang nie Hai-yan Tu Bin-Chao Wang Jin-Ji yang Qing Zhou hong-Rui Li Ke Liu Wendy Wu Si-yang Maggie Liu Wen-Zhao Zhong Yi-Long Wu Guangdong Lung Cancer Institute Guangdong Provincial Key Laboratory of Translational Medicine in Lung CancerGuangdong Provincial People’s Hospital(Guangdong Academy of Medical Sciences)Southern Medical UniversityGuangzhouChina Department of Thoracic Surgery Zhongshan HospitalFudan UniversityShanghaiChina Department of Thoracic Surgery Guangdong Provincial People’s Hospital(Guangdong Academy of Medical Sciences)Southern Medical UniversityGuangzhouChina Department of Pathology Guangdong Provincial People’s Hospital(Guangdong Academy of Medical Sciences)Southern Medical UniversityGuangzhouChina Fujian Key Laboratory of Advanced Technology for Cancer Screening and Early Diagnosis FuzhouChina Berry Oncology Corporation FuzhouChina Chinese Thoracic Oncology Group(CTONG) GuangzhouChina Department of Hematology The First Affiliated HospitalJinan UniversityGuangzhouChina

This prospective multicenter phase II study evaluated the clinical efficacy of neoadjuvant nivolumab-exclusive(N)and nivolumab–chemotherapy(N/C)combinations based on PD-L1 expression.Eligible patients exhibited resectable clinical stage IIA–IIIB(AJCC 8th edition)NSCLC without EGFR/ALK alterations.Patients received either mono-nivolumab(N)or nivolumab+nabpaclitaxel+carboplatin(N/C)for three cycles based on PD-L1 expression.The primary endpoint was the major pathological response(MPR).Key secondary endpoints included the pathologic complete response(pCR),objective response rate(ORR),and event-free survival(EFS).Baseline PD-L1 expression and perioperative circulating tumor DNA(ctDNA)status were correlated with pCR and EFS.Fifty-two patients were enrolled,with 46 undergoing surgeries.The MPR was 50.0%(26/52),with 25.0%(13/52)achieving pCR,and 16.7%and 66.7%for patients with PD-L1≥50%in N and N/C groups,respectively.Thirteen(25.0%)patients experienced grade 3 or higher immune-related adverse events during neoadjuvant treatment.Patients with post-neoadjuvant ctDNA negativity was more likely to have pCR(39.1%)compared with those remained positive(6.7%,odds ratio=6.14,95%CI 0.84-Inf,p=0.077).With a median follow-up of 25.1 months,the 18-month EFS rate was 64.8%(95%CI 51.9–81.0%).For patients with ctDNA–vs.ctDNA+,the 18m-EFS rate was 93.8%vs 47.3%(HR,0.15;95%CI 0.04,0.94;p=0.005).Immunochemotherapy may serve as an optimal neoadjuvant treatment even for patients with PD-L1 expression≥50%.ctDNA negativity following neoadjuvant treatment and surgery could help identify superior pathological and survival benefits,which requires further confirmation in a prospective clinical trial(NCT04015778).

关键词： chemotherapy NSCLC treatment

Cucurbit[8]uril-regulated face-to-face dimerization assembly enhanced photosensitization and photocatalysis

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Science China Chemistry 2024年第5期67卷 1605-1612页

作者： Haigen nie Die Hu Zhiyao Zeng yan Fan Yaxin Zhai Xin-Long Ni Key Laboratory of Chemical Biology and Traditional Chinese Medicine Ministry of Educational of ChinaKey Laboratory of the Assembly and Application of Organic Functional Molecules of Hunan ProvinceCollege of Chemistry and Chemical EngineeringHunan Normal UniversityChangsha 410081China Key Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education Department of PhysicsHunan Normal UniversityChangsha 410081China

In water, N,N′-diarylpyridinium thiazolo[5,4-d]thiazole guests(G1–G3) were encapsulated by cucurbit[8]uril(Q[8]) to construct Q[8]_(3)/G_(2) complexes, in which the encapsulated G molecules exist as an exact face-to-face dimer. These complexation behaviors have been indicated by proton nuclear magnetic resonance(~1H NMR) spectroscopy and isothermal titration calorimetry(ITC),and have been confirmed by X-ray single crystal structural analysis of Q[8]_(3)/G2_(2). While free guests G1–G3 have no ability to sensitize singlet oxygen, they all become effective singlet oxygen sensitizers when complexed with Q[8]. By irradiation of white light, Q[8]_(3)/G_(2) complexes induced selective oxidation of aryl sulfide to aryl sulfoxide in good yields and selective oxidation of dimethyl sulfide(DMS) to dimethyl sulfoxide(DMSO) in excellent yields without over-oxidation to dimethyl sulfone(DMSO_(2))even for elongated irradiation. High-yield photo-oxidation of DMS to DMSO_(2) was only achieved by irradiation of blue light in the presence of Q[8]_(3)/G1_(2), which was also effective in photobleaching of Rhodamine B in water. The higher photo-oxidation power of Q[8]_(3)/G1_(2) has been ascribed to an additional generation of reactive oxygen species besides singlet oxygen.

关键词： host-guest interaction dimerization macrocycles photosensitization

Temperature-sensing array using the metal-to-insulator transition of Nd_(x)Sm_(1-x)NiO_(3)

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International Journal of Minerals,Metallurgy and Materials 2024年第7期31卷 1694-1700页

作者： Fengbo yan Ziang Li Hao Zhang Yuchen Cui Kaiqi nie Nuofu Chen Jikun Chen School of Materials Science and Engineering University of Science and Technology BeijingBeijing 100083China School of Renewable Energy North China Electric Power UniversityBeijing 102206China Beijing Synchrotron Radiation Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China

Rare-earth nickelates(RENiO_(3))show widely tunable metal-to-insulator transition(MIT)properties with ignorable variations in lattice constants and small latent heat across the critical temperature(TMIT).Particularly,it is worth noting that compared with the more commonly investigated vanadium oxides,the MIT of RENiO_(3)is less abrupt but usually across a wider range of temperatures.This sheds light on their alternative applications as negative temperature coefficient resistance(NTCR)thermistors with high sensitivity compared with the current NTCR thermistors,other than their expected use as critical temperature resistance thermistors.In this work,we demonstrate the NTCR thermistor functionality for using the adjustable MIT of Nd_(x)Sm_(1-x)NiO_(3)within 200–400 K,which displays larger magnitudes of NTCR(e.g.,more than 7%/K)that is unattainable in traditional NTCR thermistor materials.The temperature dependence of resistance(R–T)shows sharp variation during the MIT of Nd_(x)Sm_(1-x)NiO_(3)with no hysteresis via decreasing the Nd content(e.g.,x≤0.8),and such a R–T tendency can be linearized by introducing an optimum parallel resistor.The sensitive range of temperature can be further extended to 210–360 K by combining a series of Nd_(x)Sm_(1-x)NiO_(3)with eight rare-earth co-occupation ratios as an array,with a high magnitude of NTCR(e.g.,7%–14%/K)covering the entire range of temperatures.

关键词： rare-earth nickelates metal-to-insulator transition correlated oxides perovskites

Comprehensive insights:unraveling the mechanisms of gut commensals in glucose metabolism regulation

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Science China(Life Sciences) 2024年第2期67卷 414-417页

作者： Zhipeng Li Qixing nie Shao-Ping nie State Key Laboratory of Food Science and Resources China-Canada Joint Lab of Food Science and Technology(Nanchang)Key Laboratory of Bioactive Polysaccharides of Jiangxi ProvinceNanchang UniversityNanchang 330047China

The prevalence of type 2 diabetes(T2D)has escalated to a global epidemic,garnering widespread concern.Tremendous research utilizing germ-free(GF)mice,antibiotic treatments,and fecal microbiota transplantation approaches has established the critical role of gut microbiota in modulating glucose metabolism.The microbiota interacts with diets and the mucosal immune system,influencing intestinal permeability and the penetration of microbial products.

关键词： metabolism utilizing insight

Effect of Sc on Al_(3)Fe phase and mechanical properties of as-cast AA5052 aluminum alloy

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China Foundry 2024年第3期21卷 257-264页

作者： yang Li Qing Yu Feng-feng Chen Jia-wen He hong-mei yang Meng-nie Li Faculty of Materials Science and Engineering Kunming University of Science and TechnologyKunming 650093China

The AA5052 aluminum alloy is widely used in automobile and aerospace manufacturing,and with the development of light-weight alloys,it is required that these materials exhibit better mechanical properties.Previous studies have demonstrated that the addition of Sc to aluminum alloys can improve both the microstructure and properties of the alloys.In this study,the effect of Sc on the Fe-rich phase and properties of the AA5052 aluminum alloy was studied by adding 0%,0.05%,0.2%,and 0.3%Sc.The results show that with the increase of Sc,the coarse needle-like Fe-rich phase gradually transforms into Chinese-script and then nearly spherical particles,reduce the size of Fe-rich phase,and refine the grain with increase of high angle grain boundaries(HAGBs).These microstructure changes enhance the strength of the AA5052 alloy through Sc addition.The ductility of the alloy is obviously improved because the addition of a lower amount of Sc changes the morphology of Fe-rich phase from needle-like into a Chinese-script,and it is subsequently reduced as a result of significant increase in HAGBs with increasing Sc content.

关键词： AA5052 aluminum alloy Al3Fe phase mechanical properties grain boundary