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Assessment of programmed death-ligand 1 expression in primary tumors and paired lymph node metastases of gastric adenocarcinoma
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作者 Brendha Cação Coimbra Marina Alessandra Pereira +4 位作者 Leonardo Cardili Venancio Avancini Ferreira Alves Evandro Sobroza de Mello Ulysses Ribeiro Jr Marcus Fernando Kodama Pertille Ramos 《World Journal of Gastrointestinal Oncology》 SCIE 2024年第3期883-893,共11页
BACKGROUND Anti-programmed death-1/programmed death-ligand 1(PD-1/PD-L1)immuno-therapy has demonstrated promising results on gastric cancer(GC).However,PD-L1 can express differently between metastatic sites and primar... BACKGROUND Anti-programmed death-1/programmed death-ligand 1(PD-1/PD-L1)immuno-therapy has demonstrated promising results on gastric cancer(GC).However,PD-L1 can express differently between metastatic sites and primary tumors(PT).AIM To compare PD-L1 status in PT and matched lymph node metastases(LNM)of GC patients and to determine the correlation between the PD-L1 status and clinicopathological characteristics.METHODS We retrospectively reviewed 284 GC patients who underwent D2-gastrectomy.PD-L1 was evaluated by immunohistochemistry(clone SP142)using the com-bined positive score.All PD-L1+PT staged as pN+were also tested for PD-L1 expression in their LNM.PD-L1(-)GC with pN+served as the comparison group.RESULTS Among 284 GC patients included,45 had PD-L1+PT and 24 of them had pN+.For comparison,44 PD-L1(-)cases with pN+were included(sample loss of 4 cases).Of the PD-L1+PT,54.2%(13/24 cases)were also PD-L1+in the LNM.Regarding PD-L1(-)PT,9.1%(4/44)had PD-L1+in the LNM.The agreement between PT and LNM had a kappa value of 0.483.Larger tumor size and moderate/severe peritumoral inflammatory response were associated with PD-L1 positivity in both sites.There was no statistical difference in overall survival for PT and LNM according to the PD-L1 status(P=0.166 and P=0.837,respectively).CONCLUSION Intra-patient heterogeneity in PD-L1 expression was observed between the PT and matched LNM.This disagreement in PD-L1 status may emphasize the importance of considering different tumor sites for analyses to select patients for immunotherapy. 展开更多
关键词 Gastric cancer Lymph node Programmed death ligand 1 Stomach neoplasms IMMUNOHISTOCHEMISTRY METASTASIS
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Proton‑Prompted Ligand Exchange to Achieve High‑Efficiency CsPbI_(3) Quantum Dot Light‑Emitting Diodes
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作者 Yanming Li Ming Deng +2 位作者 Xuanyu Zhang Lei Qian Chaoyu Xiang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第6期53-62,共10页
CsPbI_(3)perovskite quantum dots(QDs)are ideal materials for the next generation of red light-emitting diodes.However,the low phase stability of CsPbI_(3)QDs and long-chain insulating capping ligands hinder the improv... CsPbI_(3)perovskite quantum dots(QDs)are ideal materials for the next generation of red light-emitting diodes.However,the low phase stability of CsPbI_(3)QDs and long-chain insulating capping ligands hinder the improvement of device performance.Traditional in-situ ligand replacement and ligand exchange after synthesis were often difficult to control.Here,we proposed a new ligand exchange strategy using a proton-prompted insitu exchange of short 5-aminopentanoic acid ligands with long-chain oleic acid and oleylamine ligands to obtain stable small-size CsPbI_(3)QDs.This exchange strategy maintained the size and morphology of CsPbI_(3)QDs and improved the optical properties and the conductivity of CsPbI_(3)QDs films.As a result,high-efficiency red QD-based light-emitting diodes with an emission wavelength of 645 nm demonstrated a record maximum external quantum efficiency of 24.45%and an operational half-life of 10.79 h. 展开更多
关键词 CsPbI_(3) perovskite quantum dots Light-emitting diodes ligand exchange Proton-prompted in-situ exchange
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Comparative Study of the Efficacy of Metal Removal from Contaminated Aqueous Solutions by Solid Bidentate Ligands&Liquid Plant Materials
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作者 Lovell Agwaramgbo Talajai Sardin Christopher Alisa 《Journal of Environmental Science and Engineering(A)》 CAS 2024年第2期45-49,共5页
Heavy metal contaminated water sources pose serious health risks for humans,animals,and plants.Exposure to and ingestion of heavy metals have been associated to liver,kidney,and brain function.Objective:The aim of thi... Heavy metal contaminated water sources pose serious health risks for humans,animals,and plants.Exposure to and ingestion of heavy metals have been associated to liver,kidney,and brain function.Objective:The aim of this research is to comparatively examine the metal removal efficacy of three solid bidentate chemicals and four plant materials.Study Design&Methods:Standard solutions of zinc(II)and lead(II)ions with concentrations of 1,000 ppm were respectively treated with OA(Oxalic Acid),dibasic bidentate ligands(sodium hydrogen phosphate and sodium carbonate).Then,the solutions were placed on a shaker for 15 h,centrifuged,and the supernatant was analyzed using ICP-AES(Inductively Coupled Plasma-Atomic Emission Spectrometry).Results:All the solid bidentate adsorbents were very effective in removing zinc and lead(>90%).However,more lead than zinc was removed across all adsorbents except for lemon where equal percent of zinc and lead(49%)were removed.OA and Na2HPO4 removed about equal amount of lead(>99%).The plant materials(SP(Spinach),bell pepper and GBP(Green Bell Pepper)),respectively and preferentially removed more lead(98.9%,98.3%,81.5%)than zinc(91.7%,46%,46%).Conclusion:Although plant materials have gained attraction for the remediation of heavy metal,however,some bidentate chemical ligands such as OA,sodium carbonate and sodium hydrogen phosphates are even more effective in removing these metals from contaminated water.Furthermore,heavier metals are preferentially removed than lighter metals. 展开更多
关键词 Organic acids OA REMEDIATION CHELATION ligandS heavy metal contamination
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Unraveling structure and performance of protein a ligands at liquid–solid interfaces: A multi-techniques analysis 被引量:1
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作者 Yi Shen Xinshuang Chu Qinghong Shi 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2023年第2期232-239,共8页
Oriented ligand immobilization is one of the most effective strategies used in the design and construction of a high-capacity protein A chromatography. In this work, cysteine was introduced as anchoring sites by subst... Oriented ligand immobilization is one of the most effective strategies used in the design and construction of a high-capacity protein A chromatography. In this work, cysteine was introduced as anchoring sites by substituting a specific residue on Helix Ⅰ, Ⅱ, and at C-terminus of antibody binding domain Z from protein A, respectively, to investigate structural evolution and binding behavior of protein A ligands at liquid-solid interfaces. Among the three affinity dextran-coated Fe_(3)O_(4) magnetic nanoparticles(Fe_(3)O_(4)@Dx MNPs), affinity MNPs with the immobilized ligand via N11C on Helix Ⅰ(Fe_(3)O_(4)@Dx-Z_(1) MNPs) had the highest helical content, and MNPs with the immobilized ligand via G29C on Helix Ⅱ(Fe_(3)O_(4)@Dx-Z_(2) MNPs) had the lowest helical content at the same pHs. It was attributed to less electrostatic attraction of ligand to negatively charged surface on Fe_(3)O_(4)@Dx-Z_(1) MNPs because of less positive charged residues on Helix Ⅰ(K6) than Helix Ⅱ(R27/K35). Among the three affinity MNPs, moreover, the highest affinity to immunoglobulin G(IgG) binding was observed on Fe_(3)O_(4)@Dx-Z_(1) MNPs in isothermal titration calorimetry measurement, further validating greater structural integrity of the ligand on Fe_(3)O_(4)@Dx-Z_(1) MNPs. Finally,the study of IgG binding on MNPs and 96-well plates showed that anchoring sites for ligand immobilization had distinct influences on IgG binding and IgG-mediated antigen binding. This work illustrated that anchoring sites of the ligands had a striking significance for the molecular structure of the ligand at liquid-solid interfaces and raised an important implication for the design and optimization of protein A chromatography and protein A-based immunoassay analysis. 展开更多
关键词 ADSORPTION Interface THERMODYNAMICS Protein A ligand IMMOBILIZATION Molecular structure
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A fast and in-depth self-reconstruction of anion ligands optimized CoFe-based pre-catalysts for water oxidation 被引量:1
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作者 Qiuyan Jin Hao Cui Chengxin Wang 《Green Energy & Environment》 SCIE EI CAS CSCD 2023年第3期812-819,共8页
The design of efficient and robust non-precious metal electrocatalysts towards oxygen evolution reaction(OER)is of great value for developing green energy technologies.The in-situ formed high-valence(oxy)hydroxides sp... The design of efficient and robust non-precious metal electrocatalysts towards oxygen evolution reaction(OER)is of great value for developing green energy technologies.The in-situ formed high-valence(oxy)hydroxides species during the reconstruction process of pre-catalysts are recognized as the real contributing sites for OER.However,pre-catalysts generally undergo a slow and inadequate self-reconstruction.Herein,we reported a PO^(3-)_(4)optimized CoFe-based OER catalysts with amorphous structure,which enables a fast and deep reconstruction during the OER process.The amorphous structure induced by ligands PO^(3-)_(4)is prone to evolution and further form active species for OER.The electron interaction between metal sites can be modulated by electron-rich PO^(3-)_(4),which promotes generation of high active CoOOH.Simultaneously,the etching of PO^(3-)_(4)from the pre-catalysts during the catalytic process is in favor of accelerating the self-reconstruction.As a result,as-prepared precatalyst can generate high active CoOOH at a low potential of 1.4 V and achieve an in-depth reconstructed nanosheet structure with abundant OER active sites.Our work provides a promising design of pre-catalysts for realizing efficient catalysis of water oxidation. 展开更多
关键词 Oxygen evolution reaction Pre-catalysts Reconstruction Anion ligands Bimetallic catalysts
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Engineering of Ag@Pd/Al_(2)O_(3)with varied Pd-shell thickness:Dynamic evolution of ligand and strain effects on acetylene selective hydrogenation
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作者 Mingbo Yang Tianxing Yang +3 位作者 Rui Ma Sha Li Yufei He Dianqing Li 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2023年第12期139-148,共10页
Bimetallic nanoparticles exhibit a synergistic effect that critically depends on their surface composition,but such promotion mechanisms become vague with varying surface compositions.Here,alumina supported Ag@Pd core... Bimetallic nanoparticles exhibit a synergistic effect that critically depends on their surface composition,but such promotion mechanisms become vague with varying surface compositions.Here,alumina supported Ag@Pd core–shell and PdAg alloy structure with controlled size and surface compositions were prepared to demonstrate synergetic mechanisms,particularly,ligand and strain effects on activity and ethylene selectivity for acetylene hydrogenation.The performance evaluation indicates that Ag@Pd catalysts with well-controlled Pd-shell thickness can effectively lower apparent activation energy and improve ethylene selectivity.Hydrogenation activity increases from 0.019 to 0.062 s^(-1) with decreasing Pd-shell thickness under mild conditions,which is 3–6 times higher than their alloyed and monometallic counterparts.Combined characterizations and density functional theory are conducted to reveal such shell-thickness-dependent performance.The ligand effect arising from Ag alloying in the interface of Ag@Pd2ML observes the strongest binding of acetylene,but it diminished sharply and the strain effect gets more prevailing with increasing shell thickness.The competition of ethylene desorption and deephydrogenation were also investigated to understand the selectivity governing factors,and the selectivity descriptor(0.5BE(C_(2)H_(4))–BE(H))was built to match the contribution of ligand and strain effect on the different surfaces of Pd-Ag bimetallic NPs.The exploration of synergetic mechanisms among bimetallic NPs with varied structure and surface compositions in this work can help us to deepen the understanding catalyst structure–activity relationship and provide a feasible way to optimize the overall catalytic performance. 展开更多
关键词 Catalyst HYDROGENATION NANOSTRUCTURE Shell-thickness-dependent performance ligand and strain effect
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Ligand Engineering in Tin-Based Perovskite Solar Cells
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作者 Peizhou Li Xiangrong Cao +9 位作者 Jingrui Li Bo Jiao Xun Hou Feng Hao Zhijun Ning Zuqiang Bian Jun Xi Liming Ding Zhaoxin Wu Hua Dong 《Nano-Micro Letters》 SCIE EI CAS CSCD 2023年第10期112-150,共39页
Perovskite solar cells(PSCs)have attracted aggressive attention in the photovoltaic field in light of the rapid increasing power conversion efficiency.However,their large-scale application and commercialization are li... Perovskite solar cells(PSCs)have attracted aggressive attention in the photovoltaic field in light of the rapid increasing power conversion efficiency.However,their large-scale application and commercialization are limited by the toxicity issue of lead(Pb).Among all the lead-free perovskites,tin(Sn)-based perovskites have shown potential due to their low toxicity,ideal bandgap structure,high carrier mobility,and long hot carrier lifetime.Great progress of Sn-based PSCs has been realized in recent years,and the certified efficiency has now reached over 14%.Nevertheless,this record still falls far behind the theoretical calculations.This is likely due to the uncontrolled nucleation states and pronounced Sn(Ⅳ)vacancies.With insights into the methodologies resolving both issues,ligand engineering-assisted perovskite film fabrication dictates the state-of-the-art Sn-based PSCs.Herein,we summarize the role of ligand engineering during each state of film fabrication,ranging from the starting precursors to the ending fabricated bulks.The incorporation of ligands to suppress Sn~(2+)oxidation,passivate bulk defects,optimize crystal orientation,and improve stability is discussed,respectively.Finally,the remained challenges and perspectives toward advancing the performance of Sn-based PSCs are presented.We expect this review can draw a clear roadmap to facilitate Sn-based PSCs via ligand engineering. 展开更多
关键词 PEROVSKITE Solar cells LEAD-FREE ligand engineering DEFECTS Stability
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Enhancing performance of inverted quantum-dot light-emitting diodes based on a solution-processed hole transport layer via ligand treatment
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作者 Depeng Li Jingrui Ma +8 位作者 Wenbo Liu Guohong Xiang Xiangwei Qu Siqi Jia Mi Gu Jiahao Wei Pai Liu Kai Wang Xiaowei Sun 《Journal of Semiconductors》 EI CAS CSCD 2023年第9期68-74,共7页
The performance of inverted quantum-dot light-emitting diodes(QLEDs)based on solution-processed hole transport layers(HTLs)has been limited by the solvent-induced damage to the quantum dot(QD)layer during the spin-coa... The performance of inverted quantum-dot light-emitting diodes(QLEDs)based on solution-processed hole transport layers(HTLs)has been limited by the solvent-induced damage to the quantum dot(QD)layer during the spin-coating of the HTL.The lack of compatibility between the HTL’s solvent and the QD layer results in an uneven surface,which negatively impacts the overall device performance.In this work,we develop a novel method to solve this problem by modifying the QD film with 1,8-diaminooctane to improve the resistance of the QD layer for the HTL’s solvent.The uniform QD layer leads the inverted red QLED device to achieve a low turn-on voltage of 1.8 V,a high maximum luminance of 105500 cd/m2,and a remarkable maximum external quantum efficiency of 13.34%.This approach releases the considerable potential of HTL materials selection and offers a promising avenue for the development of high-performance inverted QLEDs. 展开更多
关键词 quantum dots quantum-dot light-emitting diodes inverted structure ligand treatment
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Metal-organic frameworks with mixed-ligands strategy as heterogeneous nucleation center to assist crystallization for efficient and stable perovskite solar cells
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作者 Yayu Dong Shuang Gai +9 位作者 Jian Zhang Ruiqing Fan Boyuan Hu Wei Wang Wei Cao Jiaqi Wang Ke Zhu Debin Xia Lin Geng Yulin Yang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第2期1-10,I0001,共11页
Deep-level defects and random oriented configuration in perovskite crystallization process would cause the nonradiative recombination and further affect the performance of perovskite solar cells(PSCs).Herein,two metal... Deep-level defects and random oriented configuration in perovskite crystallization process would cause the nonradiative recombination and further affect the performance of perovskite solar cells(PSCs).Herein,two metal-organic frameworks(MOFs)with tunable Lewis-base passivation sites have been constructed(Cd-Httb and Cd-Httb-BDC,Httb=5-(4-(1H-1,2,4-triazole-1-yl)benzyl)-1h-tetrazole,BDC=1,4-dicarboxybenzene)to eliminate deep-level defects and simultaneously as nanostructured heterogeneous nucleation seed to assist the growth of large-grained perovskite films.Compared with the control and Cd-Httb,Cd-Httb-BDC designed with mix-ligands strategy exhibited the enhanced inducted effect on the crystallization and nucleation of high-quality perovskite films during annealing process.Consequently,the resultant Cd-Httb-BDC-modified device achieved higher power conversion efficiency(PCE)(22.18%)than the control(20.89%)and Cd-Httb(21.56%).Meanwhile,the unencapsulated Cd-Httb-BDC-modified device still maintained 90%of initial PCE after 1500 h in ambient conditions and exhibited enhanced thermal stability(85℃ in N_(2) atmosphere).This work presented a successful example of mixligands strategy on construction of high-quality MOF-assisted perovskite films for high-efficient and stable PSCs. 展开更多
关键词 Perovskite solar cells Metal organic frameworks Mixed ligands strategy Passivation Stability
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Controllably partial removal of thiolate ligands from unsupported Au_(25) nanoclusters by rapid thermal treatments for electrochemical CO_(2)reduction
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作者 Liting Huang Yongfeng Lun +4 位作者 Yuping Liu Liming Chen Bowen Li Shuqin Song Yi Wang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第11期16-22,I0002,共8页
Colloidal synthesis of metal nanoclusters will inevitably lead to the blockage of catalytically active sites by organic ligands.Here,taking[Au_(25)(PET)_(18)]-(PET=2-phenylethanethiol)nanocluster as a model catalyst,t... Colloidal synthesis of metal nanoclusters will inevitably lead to the blockage of catalytically active sites by organic ligands.Here,taking[Au_(25)(PET)_(18)]-(PET=2-phenylethanethiol)nanocluster as a model catalyst,this work reports a feasible procedure to achieve the controllably partial removal of thiolate ligands from unsupported[Au_(25)(PET)_(18)]-nanoclusters with the preservation of the core structure.This procedure shortens the processing duration by rapid heating and cooling on the basis of traditional annealing treatment,avoiding the reconfiguration or agglomeration of Au_(25)nanoclusters,where the degree of dethiolation can be regulated by the control of duration.This work finds that a moderate degree of dethiolation can expose the Au active sites while maintaining the suppression of the competing hydrogen evolution reaction.Consequently,the activity and selectivity towards CO formation in electrochemical CO_(2)reduction reaction of Au_(25)nanoclusters can be promoted.This work provides a new approach for the removal of thiolate ligands from atomically precise gold nanoclusters. 展开更多
关键词 Gold nanoclusters THIOLATES ligand removal Electrochemically active surface area Electrochemical CO_(2)reduction
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In Silico Evaluation of Potential Ligands of Cancer Cells for Surfactin from Bacillus spp.
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作者 Mahmuda Akhter Akhi Umme Tamanna Ferdous +2 位作者 Md.Fakruddin Suvamoy Datta Md.Asaduzzaman Shishir 《Proceedings of Anticancer Research》 2023年第3期18-28,共11页
Cancer is one of the most prevalent diseases worldwide,which causes significant morbidity and mortality.Designing and developing a potential anti-cancer drug is an active field of research worldwide.Microorganisms hav... Cancer is one of the most prevalent diseases worldwide,which causes significant morbidity and mortality.Designing and developing a potential anti-cancer drug is an active field of research worldwide.Microorganisms have been considered a potential source of anti-cancer drugs.One such microbe-derived compound is surfactin,which shows potential anti-cancer activities.In this study,we evaluated the binding potential of surfactin with several cancer cell ligands via an in-silico approach.Hence,molecular docking studies were performed to test the binding potential of surfactin against four targets.The analyses revealed that surfactin from Bacillus sp.can bind with the targeted ligands(coenzyme A,D-leucine,glycerol,and(R)-3-hydroxytetradecanal)with significant affinity.Surfactin showed the highest binding affinity(-7.7 kcal mol-1)to coenzyme A among the targeted ligands.These results may be useful for developing anti-cancer drugs.Nevertheless,further experimental studies are needed to investigate the ligand binding capacity and anti-cancer potential of such surfactin-like molecules. 展开更多
关键词 Molecular docking CANCER ligand SURFACTIN BACILLUS
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Blocking postsynaptic density-93 binding to C-X3-C motif chemokine ligand 1 promotes microglial phenotypic transformation during acute ischemic stroke
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作者 Xiao-Wei Cao Hui Yang +6 位作者 Xiao-Mei Liu Shi-Ying Lou Li-Ping Kong Liang-Qun Rong Jun-Jun Shan Yun Xu Qing-Xiu Zhang 《Neural Regeneration Research》 SCIE CAS CSCD 2023年第5期1033-1039,共7页
We previously reported that postsynaptic density-93 mediates neuron-microglia crosstalk by interacting with amino acids 357–395 of C-X3-C motif chemokine ligand 1(CX3 CL1) to induce microglia polarization. More impor... We previously reported that postsynaptic density-93 mediates neuron-microglia crosstalk by interacting with amino acids 357–395 of C-X3-C motif chemokine ligand 1(CX3 CL1) to induce microglia polarization. More importantly, the peptide Tat-CX3 CL1(comprising amino acids 357–395 of CX3 CL1) disrupts the interaction between postsynaptic density-93 and CX3 CL1, reducing neurological impairment and exerting a protective effect in the context of acute ischemic stroke. However, the mechanism underlying these effects remains unclear. In the current study, we found that the pro-inflammatory M1 phenotype increased and the anti-inflammatory M2 phenotype decreased at different time points. The M1 phenotype increased at 6 hours after stroke and peaked at 24 hours after perfusion, whereas the M2 phenotype decreased at 6 and 24 hours following reperfusion. We found that the peptide Tat-CX3 CL1(357–395 aa) facilitates microglial polarization from M1 to M2 by reducing the production of soluble CX3 CL1. Furthermore, the a disintegrin and metalloprotease domain 17(ADAM17) inhibitor GW280264 x, which inhibits metalloprotease activity and prevents CX3 CL1 from being sheared into its soluble form, facilitated microglial polarization from M1 to M2 by inhibiting soluble CX3 CL1 formation. Additionally, Tat-CX3 CL1(357–395 aa) attenuated long-term cognitive deficits and improved white matter integrity as determined by the Morris water maze test at 31–34 days following surgery and immunofluorescence staining at 35 days after stroke, respectively. In conclusion, Tat-CX3 CL1(357–395 aa) facilitates functional recovery after ischemic stroke by promoting microglial polarization from M1 to M2. Therefore, the Tat-CX3 CL1(357–395 aa) is a potential therapeutic agent for ischemic stroke. 展开更多
关键词 a disintegrin and metalloprotease domain 17 cerebral ischemia/reperfusion C-X3-C motif chemokine ligand 1 GW280264x microglia neuroinflammation postsynaptic density-93 Tat-CX3CL1(357–395aa)
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Designing Artemisinins with Antimalarial Potential, Combining Molecular Electrostatic Potential, Ligand-Heme Interaction and Multivariate Models
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作者 Josué de Jesus Oliveira Araújo Ricardo Morais de Miranda +10 位作者 Jeferson Stiver Oliveira de Castro Antonio Florêncio de Figueiredo Ana Cecília Barbosa Pinheiro Sílvia Simone dos Santos Morais Marcos Antonio Barros dos Santos Andréia de Lourdes Ribeiro Pinheiro Andréia de Lourdes Ribeiro Pinheiro Fábio dos Santos Gil Heriberto Rodrigues Bitencourt Gustavo Nery Ramos Alves José Ciríaco Pinheiro 《Computational Chemistry》 CAS 2023年第1期1-23,共23页
Artemisinins tested against W-2 strains of malaria falciparum are investigated with molecular electrostatic potential (MEP), in an attempt to identify key features of the compounds that are necessary for their activit... Artemisinins tested against W-2 strains of malaria falciparum are investigated with molecular electrostatic potential (MEP), in an attempt to identify key features of the compounds that are necessary for their activities, as well as to investigate likely interactions with the receptor in a biological process and to use that information to propose new molecules. In order to discover the best geometry involving the ligand-receptor complexes (heme) studied and help in the proposition of the new derivatives, molecular simulations of interactions between the most negative charged region around the peroxide and heme locates (the ones around the Fe2+ ion) were carried out. In addition, PCA (principal components analysis), HCA (hierarchical cluster analysis), SDA (stepwise discriminant analysis), and KNN (K-nearest neighbor) multivariate models were employed to investigate which descriptors are responsible for the classification between the higher and lower antimalarial activity of the compounds, and also this information was used to propose new potentially active molecules. The information accumulated in studies of MEP, molecular docking, and multivariate analysis supported the proposal of new structures with potential antimalarial activities. The multivariate models constructed were applied to the new structures and indicated numbers 19 and 20 as the most prominent for syntheses and biological assays. 展开更多
关键词 ARTEMISININS Antimalarial Potential Molecular Electrostatic Potential ligand-Heme Interaction Multivariate Models
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P2X7R过表达的巨噬细胞MSU晶体诱导痛风炎症反应过程中IL-1β、TNF-α、NLRP3表达观察
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作者 秦丽岩 冀琨 +3 位作者 陈邬锦 张蓓 孙玉萍 李瑞 《山东医药》 CAS 2024年第12期41-45,共5页
目的观察嘌呤能受体P2X配体门控离子通道7的配体(P2X7R)过表达白血病细胞诱导分化的巨噬细胞单钠尿酸盐(MSU)晶体诱导痛风炎症反应过程中NOD样受体家族3(NLRP3)蛋白、IL-1β、TNF-α表达情况。方法取人单核细胞白血病细胞系THP-1,并随... 目的观察嘌呤能受体P2X配体门控离子通道7的配体(P2X7R)过表达白血病细胞诱导分化的巨噬细胞单钠尿酸盐(MSU)晶体诱导痛风炎症反应过程中NOD样受体家族3(NLRP3)蛋白、IL-1β、TNF-α表达情况。方法取人单核细胞白血病细胞系THP-1,并随机分为过表达组、空白组、模型组、对照组;过表达组和空白组分别转染P2X7R过表达质粒、空白载体质粒,转染5 d,将过表达组、空白组、模型组THP-1细胞用100 ng/mL的PMA刺激3 h后分化为巨噬细胞,另将MSU晶体用氢氧化钠溶解配制成浓度为100μg/mL的MSU乳糜状悬液加入培养液中孵育6 h;对照组正常培养。分别采用RT-PCR法和Western blot法测算巨噬细胞P2X7R mRNA、蛋白,ELISA法检测巨噬细胞上清液IL-1β、TNF-α,Western blot法测算巨噬细胞NOD样受体家族3(NLRP3)蛋白。结果与对照组比较,过表达组、空白组、模型组P2X7R mRNA和蛋白相对表达量升高,细胞上清液IL-1β、TNF-α水平升高,细胞NLRP3蛋白相对表达量升高(P均<0.05);与模型组、空白组比较,过表达组P2X7R mRNA、蛋白相对表达量升高,细胞上清液IL-1β、TNF-α水平升高,细胞NLRP3蛋白相对表达量升高(P均<0.05)。结论P2X7R过表达白血病细胞诱导分化的巨噬细胞MSU晶体诱导痛风炎症反应过程中IL-1β、TNF-α、NLRP3表达增加,IL-1β、TNF-α水平升高可能通过激活NLRP3蛋白来实现。 展开更多
关键词 嘌呤能受体P2X配体门控离子通道7的配体 痛风 炎症因子 NOD样受体家族3炎症小体
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血清CX3CL1、CCL17与类风湿关节炎相关间质性肺疾病患者肺功能及预后的关系研究
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作者 朱竹菁 苏励 +2 位作者 曲环汝 田雨 席丽君 《疑难病杂志》 CAS 2024年第2期143-148,共6页
目的分析血清C-X3-C基序趋化因子配体1(CX3CL1)、C-C基序趋化因子配体17(CCL17)与类风湿关节炎相关间质性肺疾病(RA-ILD)患者肺功能及预后的关系。方法选取2017年1月—2018年1月上海中医药大学附属龙华医院风湿科收治RA患者295例,根据... 目的分析血清C-X3-C基序趋化因子配体1(CX3CL1)、C-C基序趋化因子配体17(CCL17)与类风湿关节炎相关间质性肺疾病(RA-ILD)患者肺功能及预后的关系。方法选取2017年1月—2018年1月上海中医药大学附属龙华医院风湿科收治RA患者295例,根据是否合并ILD分为ILD组115例和非ILD组180例,根据预后情况将RA-ILD患者分为预后不良亚组和预后良好亚组。检测血清CX3CL1、CCL17水平及肺功能指标[第1秒用力呼气容积(FEV_(1))、用力肺活量(FVC)、FEV_(1)/FVC和肺一氧化碳弥散量(DLCO)]。采用Pearson相关性分析RA-ILD患者血清CX3CL1、CCL17水平与肺功能指标的相关性,多因素Logistic回归分析RA-ILD患者预后不良的影响因素,受试者工作特征(ROC)曲线分析血清CX3CL1、CCL17水平预测RA-ILD患者预后不良的价值。结果与非ILD组比较,ILD组血清CX3CL1、CCL17水平升高,FEV_(1)、FVC、FEV_(1)/FVC、DLCO降低(t/P=14.359/<0.001、13.855/<0.001、12.015/<0.001、2.732/0.007、14.749/<0.001、14.010/<0.001)。Pearson相关性分析显示,RA-ILD患者血清CX3CL1、CCL17水平与FEV_(1)、FVC、FEV_(1)/FVC、DLCO呈负相关(r=-0.762、-0.711、-0.577、-0.534、-0.707、-0.692、-0.735、-0.672,P均<0.001)。随访5年,115例RA-ILD患者预后不良发生率为46.96%。多因素Logistic回归分析显示,普通型间质性肺炎和高分辨率电子计算机断层扫描(HRCT)评分、CX3CL1、CCL17升高为RA-ILD患者预后不良的独立危险因素[OR(95%CI)=3.745(1.245~11.264)、1.051(1.008~1.095)、1.008(1.003~1.012)、1.037(1.012~1.062)],FEV_(1)、FEV_(1)/FVC、DLCO升高为独立保护因素[OR(95%CI)=0.952(0.896~0.988)、0.892(0.867~0.981)、0.857(0.789~0.949)]。ROC曲线分析显示,血清CX3CL1、CCL17水平联合预测RA-ILD患者预后不良的曲线下面积为0.875,大于CX3CL1、CCL17单独预测的0.783、0.788(Z=2.807、2.698,P=0.005、0.007)。结论RA-ILD患者血清CX3CL1、CCL17水平升高,与肺功能降低和预后不良有关,血清CX3CL1、CCL17水平联合检测对RA-ILD患者预后具有较高的预测价值。 展开更多
关键词 类风湿关节炎 间质性肺疾病 C-X3-C基序趋化因子配体1 C-C基序趋化因子配体17 肺功能 预后
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邻苯二甲酸二异丁酯——新型的ANO2通道开放剂
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作者 郑晓恬 白立川 +1 位作者 王惠杰 吴琼 《中国药理学通报》 CAS CSCD 北大核心 2024年第4期695-700,共6页
目的筛选ANO2的特异性配体药物,为医药行业开发靶向ANO2新药提供先导化合物的结构信息。方法构建ANO2过表达的HEK293细胞株,应用共聚焦显微镜-膜片钳全细胞记录模式技术筛选ANO2的特异性配体。结果在胞内外钳制电压100 mV及含1μmol... 目的筛选ANO2的特异性配体药物,为医药行业开发靶向ANO2新药提供先导化合物的结构信息。方法构建ANO2过表达的HEK293细胞株,应用共聚焦显微镜-膜片钳全细胞记录模式技术筛选ANO2的特异性配体。结果在胞内外钳制电压100 mV及含1μmol·L^(-1)钙离子电极内液的记录条件下,邻苯二甲酸二异丁酯(diisobutyl phthalate,DIBP)给药前ANO2介导的氯电流密度为(14.67±2.87)pA/pF,给药后ANO2介导的氯电流电导为(28.75±4.05)pA/pF,差异具有统计学意义(P<0.01);钙荧光成像实验结果表明DIBP无调节胞内游离钙信号的作用;在0μmol·L^(-1)钙离子条件下,DIBP对静息状态的ANO2通道不具有直接的激活作用。结论DIBP通过直接作用增强已活化ANO2通道的电导,其作为一种新型的促ANO2通道开放剂为开发靶向ANO2的药物提供结构信息,同时也为研究其他邻苯二甲酸酯类物质的毒理作用提供一定的理论基础。 展开更多
关键词 邻苯二甲酸二异丁酯 ANO2 配体 过表达 先导化合物 电流密度 白介素-8
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地舒单抗在骨质疏松初始、序贯、联合治疗等方面的临床研究进展
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作者 杨蕾 周广平 +1 位作者 付勤 田野 《中华骨质疏松和骨矿盐疾病杂志》 CSCD 北大核心 2024年第2期176-181,共6页
地舒单抗(denosumab,DMAb)是最早出现的全人源核因子-κB受体活化因子配体[receptor activator of nuclear factor-κB(NF-κB)ligand,RANKL]的单克隆抗体。2020年在我国上市,应用于骨质疏松治疗领域,是抑制骨吸收类抗骨松药物中的新成... 地舒单抗(denosumab,DMAb)是最早出现的全人源核因子-κB受体活化因子配体[receptor activator of nuclear factor-κB(NF-κB)ligand,RANKL]的单克隆抗体。2020年在我国上市,应用于骨质疏松治疗领域,是抑制骨吸收类抗骨松药物中的新成员。本综述的目的为归纳总结近年围绕DMAb在骨质疏松初始、序贯以及联合治疗方面的临床研究进展,为其应用提供参考。 展开更多
关键词 地舒单抗 骨质疏松症 核因子-κB受体活化因子配
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血清HMGB1、CCL20、HSP27水平与慢性牙周炎患者牙周病变程度的相关性分析 被引量:1
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作者 王伟新 张丽娜 《河南医学研究》 CAS 2024年第2期252-255,共4页
目的探讨血清高迁移率族蛋白1(HMGB1)、CC趋化因子配体20(CCL20)、热休克蛋白27(HSP27)水平与慢性牙周炎(CP)患者牙周病变程度的相关性。方法选取2021年9月至2023年8月在新乡医学院第一附属医院诊治的60例CP患者纳入观察组,根据1∶1原则... 目的探讨血清高迁移率族蛋白1(HMGB1)、CC趋化因子配体20(CCL20)、热休克蛋白27(HSP27)水平与慢性牙周炎(CP)患者牙周病变程度的相关性。方法选取2021年9月至2023年8月在新乡医学院第一附属医院诊治的60例CP患者纳入观察组,根据1∶1原则,另选取同期牙周健康者60例纳入对照组。比较两组及不同牙周病变程度CP患者血清HMGB1、CCL20、HSP27水平,分析各指标水平与CP牙周病变程度的相关性及联合诊断价值,并分析不同血清水平患者发生CP的危险度。结果观察组血清HMGB1、CCL20、HSP27水平高于对照组(P<0.05);不同牙周病变程度CP患者血清HMGB1、CCL20、HSP27水平比较:轻度<中度<重度,且各指标水平与牙周病变程度均呈正相关(P<0.05);入院时HMGB1、CCL20、HSP27水平联合诊断CP的曲线下面积(AUC)为0.905,最佳诊断敏感度为91.67%,特异度为88.33%,约登指数0.800,且各指标高水平患者发生CP的危险度是低水平的1.105倍、1.034倍、1.105倍(P<0.05)。结论HMGB1、CCL20、HSP27在CP患者血清中呈异常高表达,各指标水平与牙周病变程度均呈正相关,且联合检测对CP具有较高诊断价值,可作为临床诊断CP、评估牙周病变程度的有效指标。 展开更多
关键词 高迁移率族蛋白1 CC趋化因子配体20 热休克蛋白27 慢性牙周炎
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基于CsPbBr_(3)量子点的湿度传感器的制备及其在微裂纹检测中的应用
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作者 黄胜 单沪生 +3 位作者 赵宇龙 丁统顺 任逸凡 顾修全 《无机化学学报》 SCIE CAS CSCD 北大核心 2024年第2期383-393,共11页
采用简单的溶液路线结合乙酰丙酮铁(AAI)改性技术,制备了分散性良好、尺寸均匀的钙钛矿型CsPbBr_(3)-Fe量子点(QDs),通过X射线衍射(XRD)、扫描电子显微镜(SEM)、透射电子显微镜(TEM)以及光致发光(PL)光谱对材料进行表征。并通过旋涂法... 采用简单的溶液路线结合乙酰丙酮铁(AAI)改性技术,制备了分散性良好、尺寸均匀的钙钛矿型CsPbBr_(3)-Fe量子点(QDs),通过X射线衍射(XRD)、扫描电子显微镜(SEM)、透射电子显微镜(TEM)以及光致发光(PL)光谱对材料进行表征。并通过旋涂法构筑基于钙钛矿QDs的电阻式湿度传感器。湿敏特性测量结果表明:该湿度传感器在10%~100%的相对湿度(RH)的检测范围内具有良好的线性、快速响应特性;在70%RH时传感器的灵敏度为1.1,响应时间为33 s,恢复时间为38 s。此外,我们运用有限元方法模拟了管道微裂缝的泄漏行为,通过模拟不同流速、压力下的流速场和压力场分布,验证了利用湿度传感器检测泄漏点位置的可行性。 展开更多
关键词 量子点 有机金属配体 湿度传感器 管道泄漏 矿井探测
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不同V型辅助配体构筑的两个镉配位聚合物的合成、结构和荧光性质
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作者 孙述文 王高峰 《无机化学学报》 SCIE CAS CSCD 北大核心 2024年第3期613-620,共8页
在溶剂热条件下,合成了2个基于V型辅助配体(bipmo、bppmo)的镉配位聚合物{[Cd(bipmo)(NDC)]·1.75H_(2)O}_n (1)和{[Cd(bppmo)(NDC)(H_(2)O)]·H_(2)O}_(n) (2),其中H_(2)NDC=2,6-萘二羧酸,bipmo=双(4-(1H-咪唑-1-基)苯基)甲酮,... 在溶剂热条件下,合成了2个基于V型辅助配体(bipmo、bppmo)的镉配位聚合物{[Cd(bipmo)(NDC)]·1.75H_(2)O}_n (1)和{[Cd(bppmo)(NDC)(H_(2)O)]·H_(2)O}_(n) (2),其中H_(2)NDC=2,6-萘二羧酸,bipmo=双(4-(1H-咪唑-1-基)苯基)甲酮,bppmo=双(4-(吡啶-4-基)苯基)甲酮。利用单晶X射线衍射、键价和分析、红外光谱和元素分析对其结构进行了表征。研究发现,配合物1具有二重互穿的{6~3}拓扑结构。配合物2同样是3-连接的{6~3}拓扑,却存在三重穿插结构。分析表明,V型配体对最终结构的形成有很大影响。此外,对配合物1和2的发光性质也进行了详细研究。 展开更多
关键词 键价和 配位聚合物 V型配体 拓扑结构 荧光
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