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Crystal Structures of Human 17<i>β</i>-Hydroxysteroid Dehydrogenase Type 1 Complexed with the Dual-Site Inhibitor EM-139
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作者 Tang Li Daowei Zhu +1 位作者 Fernand Labrie Shengxiang Lin 《Health》 2018年第8期1079-1089,共11页
Human 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) catalyzes the biosynthesis of the most potent natural estrogen 17β-estradiol (E2) from estrone (E1) in the ovary and peripheral tissues, playing a pivotal ro... Human 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) catalyzes the biosynthesis of the most potent natural estrogen 17β-estradiol (E2) from estrone (E1) in the ovary and peripheral tissues, playing a pivotal role in the progression of estrogen-dependent diseases. N-n-Butyl-N-methyl-ll-(16'α-chloro-3',17'β-dihydroxyestra-1',3',5'(10')-trien-7'α-yl)undecanamide (EM-139) was previously described as a dual-site inhibitor that can inhibit 17β-HSD1 transforming E1 into E2 and also inhibit estrogen receptor. In the present report, we describe the co-crystallization of EM-139 with 17β-HSD1 as well as the analysis of the three-dimensional structure of the enzyme/inhibitor complex. The crystal is grown under similar condition as native crystals, whereas the space group is changed to I121 never observed in other 17β-HSD1 crystals before. The steroidal moiety of the bound EM-139 molecule has shown a binding pattern similar to E2 in the E2 binary complex. The O-3 of the inhibitor develops hydrogen bonds with residues His221 and Glu282, whereas the O-17 makes hydrogen bonds with Ser142 and Tyr155. The bulky 7α-alkyl moiety of the inhibitor, which is essential for its anti-estrogenic activity but cannot be defined in the electron density, may compromise the inhibitory effect of EM-139 to 17β-HSD1. Moreover, the 16α-Cl atom shows no obvious interaction with surrounding residues. The atomic level understanding of the inhibitory mechanism of EM-139 provides important information for the inhibitor design of 17β-HSD1, which will facilitate future development of more potent and selective inhibitors of the enzyme for therapeutic purposes. 展开更多
关键词 17β-HSD1 INHIBITOR Complex Structure Estrogen-Dependent Diseases
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Crystal Structure of Carboxypeptidase a Complexed with an Inactivator in a New Crystalline Form
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作者 CHAI Ji-Jie LI Ming +2 位作者 TANG Liang HE Cun-Heng (Institute of Btophysics, the Chinese Academy of Sciences, Beijing 100101, China Institute of Materta Medica, the Chinese Academy of Medical Sciences, Beijing, 100050) 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 1998年第5期313-318,共6页
A new crystalline form of carboxypeptidase A (CPA) complexes withan inactivator was obtained by the method of hanging drop vapor diffusion. The inacti-’vator, 2-benzyl-3-iodo-propanoic acid (BIPA ), binds covalently ... A new crystalline form of carboxypeptidase A (CPA) complexes withan inactivator was obtained by the method of hanging drop vapor diffusion. The inacti-’vator, 2-benzyl-3-iodo-propanoic acid (BIPA ), binds covalently to an active siteresidue Glu-27O of CPA. The complex was crystallized in space group P212121 with a= 48. 8 A, b=66. 9 A, c= 96. 0 A. The complex structure was determined by molecu-lar replacement using the native CPA crystal structure as the search model. The finalcrystallographic residual is 0. 152. Except for the modification of Glu-270, the inactiva-tor exhibits normal binding mode compared with other ligand complexes of CPA. Inthe final different electron density maps (2Fo-Fc, Fo-Fc), the density of the iodo ioncould not be found while the conserved molecule remains coordinated to Zn2+ as in thenative CPA. Comparisons of complex of CPA-BIPA with the native CPA and theCPA/D-Phe complex are presented. The mechanism of inactivation of CPA was dis-cussed. 展开更多
关键词 carboxypeptidase A protein crystallography complex
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Construction and investigation of all-inone microneedles complexed with functionalized polydiacetylene liposomes for improved in situ detection sensitivity
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作者 Jiarui Wang Weimiao Li +4 位作者 Yan Chen Meng Wu Yan Shi Jumin Lee Ming Kong 《hLife》 2024年第10期514-526,共13页
Polydiacetylene(PDA)liposomes have been widely applied for detection due to their distinctive optical properties.How-ever,the liquid phase in which PDA liposomes are dispersed generates several drawbacks,for instance,... Polydiacetylene(PDA)liposomes have been widely applied for detection due to their distinctive optical properties.How-ever,the liquid phase in which PDA liposomes are dispersed generates several drawbacks,for instance,instability,compromise of detection sensitivity induced by dilution,and separation of target sampling and detection,making it inconvenient for application.In this paper,various functionalized PDA liposomes for detecting target were prepared,which were also immobilized into swelling microneedles to construct a solid-phase detection system.The PDA lipo-somes-complexed microneedles(PDA/MNs)enable the integration of target sampling and detection in one platform.The effects of the dispersing matrix phase on the detection sensitivity of PDA liposomes were systematically investi-gated from both environmental and chemical perspectives.PDA/MNs exhibited higher sensitivity than their counter-parts in liquid phase.PDA/MNs were optimized and validated for lead ion(Pb^(2+))and sialic acid(SA)detections.For Pb^(2+) detection,the limit of detection(LOD)of the PDA/MNs was 13.7 mM and 2.5 times lower than the liquid phase.For SA detection,the LOD of the PDA/MNs was 0.83 mM and 1.7 times lower than the liquid phase.The results suggested that such PDA/MNs were validated to provide a label-free,stable,sensitive,and convenient tool in an all-in-one manner for physiologic target detection. 展开更多
关键词 polydiacetylene liposomes complexed swellable microneedles ALL-IN-ONE improved detection sensitivity
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Laparoscopic liver resection utilizing the ventral avascular area of the inferior vena cava:A retrospective cohort study 被引量:1
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作者 Kun Huang Zhu Chen +4 位作者 Heng Xiao Hai-Yang Hu Xing-Yu Chen Cheng-You Du Xiang Lan 《World Journal of Gastroenterology》 SCIE CAS 2025年第1期42-57,共16页
BACKGROUND Laparoscopic liver resection(LLR)can be challenging due to the difficulty of establishing a retrohepatic tunnel under laparoscopy.Dissecting the third hepatic hilum before parenchymal transection often lead... BACKGROUND Laparoscopic liver resection(LLR)can be challenging due to the difficulty of establishing a retrohepatic tunnel under laparoscopy.Dissecting the third hepatic hilum before parenchymal transection often leads to significant liver mobilization,tumor compression,and bleeding from the short hepatic veins(SHVs).This study introduces a novel technique utilizing the ventral avascular area of the inferior vena cava(IVC),allowing SHVs to be addressed after parenchymal transection,thereby reducing surgical complexity and improving outcomes in in situ LLR.AIM To introduce and evaluate a novel LLR technique using the ventral avascular area of the IVC and compare its short-term outcomes with conventional methods.METHODS The clinical cohort data of patients with pathologically confirmed hepatocellular carcinoma or intrahepatic cholangiocarcinoma who underwent conventional LLR and novel LLR between July 2021 and July 2023 at the First Affiliated Hospital of Chongqing Medical University were retrospectively analyzed.In novel LLR,we initially separated the caudate lobe from the IVC using dissecting forceps along the ventral avascular area of the IVC.Then,we transected the parenchyma of the left and right caudate lobes from the caudal side to the cephalic side using the avascular area as a marker.Subsequently,we addressed the SHVs and finally dissected the root of the right hepatic vein or left hepatic vein.The short-term postoperative outcomes and oncological results of the two approaches were evaluated and compared.RESULTS A total of 256 patients were included,with 150(58.59%)undergoing conventional LLR and 106(41.41%)undergoing novel LLR.The novel technique resulted in significantly larger tumor resections(6.47±2.96 cm vs 4.01±2.33 cm,P<0.001),shorter operative times(199.57±60.37 minutes vs 262.33±83.90 minutes,P<0.001),less intraoperative blood loss(206.92±37.09 mL vs 363.34±131.27 mL,P<0.001),and greater resection volume(345.11±31.40 mL vs 264.38±31.98 mL,P<0.001)compared to conventional LLR.CONCLUSION This novel technique enhances liver resection outcomes by reducing intraoperative complications such as bleeding and tumor compression.It facilitates a safer,in situ removal of complex liver tumors,even in challenging anatomical locations.Compared to conventional methods,this technique offers significant advantages,including reduced operative time,blood loss,and improved overall surgical efficiency. 展开更多
关键词 Laparoscopic liver resection Inferior vena cava Retrohepatic tunnel Short hepatic veins Complex liver tumors Intraoperative bleeding control
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Challenges and improvement strategies in the hospitalization of chronic multimorbid patients 被引量:1
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作者 Andres Fontalba-Navas Francisco Pozo Muñoz +4 位作者 Rogelio Garcia Cisneros Maria Jose Garcia Larrosa Maria del Mar Callejon Gil Ignacio Garcia Delgado Maria Belen Jimenez Martinez 《World Journal of Clinical Cases》 SCIE 2025年第3期35-41,共7页
BACKGROUND Addressing the growing challenge of hospitalizing chronic multimorbid patients,this study examines the strain these conditions impose on healthcare systems at a local level,focusing on a pilot program.Chron... BACKGROUND Addressing the growing challenge of hospitalizing chronic multimorbid patients,this study examines the strain these conditions impose on healthcare systems at a local level,focusing on a pilot program.Chronic diseases and complex patients require comprehensive management strategies to reduce healthcare burdens and improve patient outcomes.If proven effective,this pilot model has the potential to be replicated in other healthcare settings to enhance the management of chronic multimorbid patients.AIM To evaluate the effectiveness of the high complexity unit(HCU)in managing chronic multimorbid patients through a multidisciplinary care model and to compare it with standard hospital care.METHODS The study employed a descriptive longitudinal approach,analyzing data from the Basic Minimum Data Set(BMDS)to compare hospitalization variables among the HCU,the Internal Medicine Service,and other services at Antequera Hospital throughout 2022.The HCU,designed for patients with complex chronic conditions,integrates a patient-centered model emphasizing multidisciplinary care and continuity post-discharge.RESULTS The study employed a descriptive longitudinal approach,analyzing data from the BMDS to compare hospitalization variables among the HCU,the Internal Medicine Service,and other services at Antequera Hospital throughout 2022.The HCU,designed for patients with complex chronic conditions,integrates a patient-centered model emphasizing multidisciplinary care and continuity post-discharge.CONCLUSION This study demonstrates the effectiveness of the HCU in managing patients with complex chronic diseases through a multidisciplinary approach.The coordinated care provided by the HCU results in improved patient outcomes,reduced unnecessary hospitalizations,and better management of patient complexity.The superiority of the HCU compared to standard care is evident in key outcomes such as fewer readmissions and higher patient satisfaction,reinforcing its value as a model of care to be replicated. 展开更多
关键词 High complexity unit Chronic multimorbidity Patient-centered care Integrated care Healthcare management
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Robustness Optimization Algorithm with Multi-Granularity Integration for Scale-Free Networks Against Malicious Attacks 被引量:1
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作者 ZHANG Yiheng LI Jinhai 《昆明理工大学学报(自然科学版)》 北大核心 2025年第1期54-71,共18页
Complex network models are frequently employed for simulating and studyingdiverse real-world complex systems.Among these models,scale-free networks typically exhibit greater fragility to malicious attacks.Consequently... Complex network models are frequently employed for simulating and studyingdiverse real-world complex systems.Among these models,scale-free networks typically exhibit greater fragility to malicious attacks.Consequently,enhancing the robustness of scale-free networks has become a pressing issue.To address this problem,this paper proposes a Multi-Granularity Integration Algorithm(MGIA),which aims to improve the robustness of scale-free networks while keeping the initial degree of each node unchanged,ensuring network connectivity and avoiding the generation of multiple edges.The algorithm generates a multi-granularity structure from the initial network to be optimized,then uses different optimization strategies to optimize the networks at various granular layers in this structure,and finally realizes the information exchange between different granular layers,thereby further enhancing the optimization effect.We propose new network refresh,crossover,and mutation operators to ensure that the optimized network satisfies the given constraints.Meanwhile,we propose new network similarity and network dissimilarity evaluation metrics to improve the effectiveness of the optimization operators in the algorithm.In the experiments,the MGIA enhances the robustness of the scale-free network by 67.6%.This improvement is approximately 17.2%higher than the optimization effects achieved by eight currently existing complex network robustness optimization algorithms. 展开更多
关键词 complex network model MULTI-GRANULARITY scale-free networks ROBUSTNESS algorithm integration
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Copper complexes of anthrahydrazone bearing pyridyl side chain:Synthesis,crystal structure,anticancer activity,and DNA binding 被引量:1
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作者 HUANG Yao WU Yingshu +5 位作者 BAO Zhichun HUANG Yue TANG Shangfeng LIU Ruixue LIU Yancheng LIANG Hong 《无机化学学报》 北大核心 2025年第1期213-224,共12页
To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bisp... To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bispyridylanthrahydrazone(9,10‑PAH)were designed and synthesized.Utilizing 9‑PAH and 9,10‑PAH as promising anticancer ligands,their respective copper complexes,namely[Cu(L1)Cl_(2)]Cl(1)and{[Cu_(4)(μ_(2)‑Cl)_(3)Cl_(4)(9,10‑PAH)_(2)(DMSO)_(2)]Cl_(2)}_(n)(2),were subsequently synthesized,where the new ligand L1 is formed by coupling two 9‑PAH ligands in the coordination reaction.The chemical and crystal structures of 1 and 2 were elucidated by IR,MS,elemental analysis,and single‑crystal X‑ray diffraction.Complex 1 forms a mononuclear structure.L1 coordinates with Cu through its three N atoms,together with two Cl atoms,to form a five‑coordinated square pyramidal geometry.Complex 2 constitutes a polymeric structure,wherein each structural unit centrosymmetrically encompasses two five‑coordinated binuclear copper complexes(Cu1,Cu2)of 9,10‑PAH,with similar square pyramidal geometry.A chlorine atom(Cl_(2)),located at the symmetry center,bridges Cu1 and Cu1A to connect the two binuclear copper structures.Meanwhile,the two five‑coordinated Cu2 atoms symmetrically bridge the adjacent structural units via one coordinated Cl atom,respectively,thus forming a 1D chain‑like polymeric structure.In vitro anticancer activity assessments revealed that 1 and 2 showed significant cytotoxicity even higher than cisplatin.Specifically,the IC_(50)values of 2 against HeLa‑229 and SK‑OV‑3 cancer cell lines were determined to be(5.92±0.32)μmol·L^(-1)and(6.48±0.39)μmol·L^(-1),respectively.2 could also block the proliferation of HeLa‑229 cells in S phase and significantly induce cell apoptosis.In addition,fluorescence quenching competition experiments suggested that 2 might interact with DNA by an intercalative binding mode,offering insights into its underlying anticancer mechanism.CCDC:2388918,1;2388919,2. 展开更多
关键词 anthrahydrazone metal complex crystal structure anticancer activity cell apoptosis
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Spin-dependent amplitude and phase modulation with multifold interferences via single-layer diatomic all-silicon metasurfaces 被引量:2
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作者 Hui Li Chenhui Zhao +6 位作者 Jie Li Hang Xu Wenhui Xu Qi Tan Chunyu Song Yun Shen Jianquan Yao 《Opto-Electronic Science》 2025年第3期2-15,共14页
Diatomic metasurfaces designed for interferometric mechanisms possess significant potential for the multidimensional manipulation of electromagnetic waves,including control over amplitude,phase,frequency,and polarizat... Diatomic metasurfaces designed for interferometric mechanisms possess significant potential for the multidimensional manipulation of electromagnetic waves,including control over amplitude,phase,frequency,and polarization.Geometric phase profiles with spin-selective properties are commonly associated with wavefront modulation,allowing the implementation of conjugate strategies within orthogonal circularly polarized channels.Simultaneous control of these characteristics in a single-layered diatomic metasurface will be an apparent technological extension.Here,spin-selective modulation of terahertz(THz)beams is realized by assembling a pair of meta-atoms with birefringent effects.The distinct modulation functions arise from geometric phase profiles characterized by multiple rotational properties,which introduce independent parametric factors that elucidate their physical significance.By arranging the key parameters,the proposed design strategy can be employed to realize independent amplitude and phase manipulation.A series of THz metasurface samples with specific modulation functions are characterized,experimentally demonstrating the accuracy of on-demand manipulation.This research paves the way for all-silicon meta-optics that may have great potential in imaging,sensing and detection. 展开更多
关键词 diatomic metasurface geometric phase complex amplitude modulation spin-selective
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Tremendously enhanced catalytic performance of Fe(Ⅲ)/peroxymonosulfate process by trace Cu(Ⅱ):A high-valent metals domination in organics removal 被引量:1
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作者 Jieli Ou Yiqing Liu +4 位作者 Linyue Zhang Zhenran Wang Yuqi Tang Yongsheng Fu Dandan Zhao 《Journal of Environmental Sciences》 2025年第1期487-497,共11页
Dissolved copper and iron ions are regarded as friendly and economic catalysts for peroxymonosulfate(PMS)activation,however,neither Cu(Ⅱ)nor Fe(Ⅲ)shows efficient catalytic performance because of the slow rates of Cu... Dissolved copper and iron ions are regarded as friendly and economic catalysts for peroxymonosulfate(PMS)activation,however,neither Cu(Ⅱ)nor Fe(Ⅲ)shows efficient catalytic performance because of the slow rates of Cu(Ⅱ)/Cu(Ⅰ)and Fe(Ⅲ)/Fe(Ⅱ)cycles.Innovatively,we observed a significant enhancement on the degradation of organic contaminants when Cu(Ⅱ)and Fe(Ⅲ)were coupled to activate PMS in borate(BA)buffer.The degradation efficiency of Rhodamine B(RhB,20μmol/L)reached up to 96.3%within 10 min,which was higher than the sum of individual Cu(Ⅱ)-and Fe(Ⅲ)-activated PMS process.Sulfate radical,hydroxyl radical and high-valent metal ions(i.e.,Cu(Ⅲ)and Fe(IV))were identified as the working reactive species for RhB removal in Cu(Ⅱ)/Fe(Ⅲ)/PMS/BA system,while the last played a predominated role.The presence of BA dramatically facilitated the reduction of Cu(Ⅱ)to Cu(Ⅰ)via chelating with Cu(Ⅱ)followed by Fe(Ⅲ)reduction by Cu(Ⅰ),resulting in enhanced PMS activation by Cu(Ⅰ)and Fe(Ⅱ)as well as accelerated generation of reactive species.Additionally,the strong buffering capacity of BA to stabilize the solution pH was satisfying for the pollutants degradation since a slightly alkaline environment favored the PMS activation by coupling Cu(Ⅱ)and Fe(Ⅲ).In a word,this work provides a brand-new insight into the outstanding PMS activation by homogeneous bimetals and an expanded application of iron-based advanced oxidation processes in alkaline conditions. 展开更多
关键词 PEROXYMONOSULFATE Bimetallic catalyst BORATE High-valent metals COMPLEXATION
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Zircon U-Pb-Hf and Trace Element Signatures Reveal the Petrogenesis of the Jiuyishan Granitic Complex,South China:Implications for W-Sn and Rare Metal Mineralization 被引量:1
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作者 Wenzhou Xiao Chaoyun Liu +6 位作者 Kaixuan Tan Xianzhe Duan Qinglin Sui Kaituo Shi Peng Feng Mabrouk Sami Quan Ou 《Journal of Earth Science》 2025年第3期1069-1089,共21页
The Jiuyishan granitic complex,located in the Nanling Range,South China,is composed of five granitic plutons(Xuehuading,Jinjiling,Pangxiemu,Shaziling and Xishan).Zircon U-Pb dating of four plutons(Jinjiling,Pangxiemu,... The Jiuyishan granitic complex,located in the Nanling Range,South China,is composed of five granitic plutons(Xuehuading,Jinjiling,Pangxiemu,Shaziling and Xishan).Zircon U-Pb dating of four plutons(Jinjiling,Pangxiemu,Shaziling and Xishan)yielded similar ages of approximately 153 Ma,indicating indistinguishable ages within error.Three plutons except the Shaziling pluton,have consistentε_(Nd)(t)(-7.8 to-5.8)andε_(Hf)(t)(-9.1 to-2.2)values,which are similar to those of the lower crustal granulitic metasedimentary and meta-igneous rocks in South China.Compared to other three plutons,the Shaziling pluton has consistentε_(Nd)(t)(-7.4 to-6.8)andε_(Hf)(t)(-7.5 to-4.7)values and shows similar source,but the Shaziling mafic microgranular enclaves(MMEs)show variableε_(Hf)(t)(-14.2 to 4.8)values,indicating a remarkable mantle magma injection of the Shaziling pluton.Zircon Ce/Sm-Yb/Gd,whole-rock CaO-P_(2)O_(5)and CaO-TiO_(2)linear trends reveal that from the Xishan to the Shaziling and from the Jinjiling to the Pangxiemu granites,they experienced apatite and titanite fractionation,respectively.Zircon Th,U,Nb,Ta,Hf,Ti,Y,P and rare earth element(REE)contents and whole-rock Sr,Ba and Rb contents also show that the Shaziling,Xishan,Jinjiling and Pangxiemu granites followed a discontinuous evolutionary series,but the Pangxiemu granites exhibit highly evolved nature.Four main controlling factors of W-Sn and rare metal mineralization in granitic rocks were discussed,and we found that the mineralization in Jiuyishan granitic complex was mainly controlled by the fractionation degree and crystallization temperature,but were rarely affected by oxygen fugacity and mantle material input.The Pangxiemu granites show particularly higher Rb and Ta contents than the other three plutons,implying that the ore deposits developed in the Jiuyishan Complex were directly related to the most evolved Pangxiemu pluton,with the occurrence of Rb and Ta as the most likely rare metal mineralization in the Jiuyishan District.A crystal mush model is proposed to interpret the petrogenetic and mineralizing processes of the Jiuyishan granitic complex. 展开更多
关键词 Jiuyishan granitic complex ZIRCON fractionation geochemistry rare metal mineralization
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Data-Driven Prediction in Complex Systems of Virus Evolution and Global Warming 被引量:1
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作者 LUO Liaofu LÜJun 《内蒙古大学学报(自然科学版)》 2025年第1期1-7,共7页
A complex system is inherently high-dimensional.Recent studies indicate that,even without complete knowledge of its evolutionary dynamics,the future behavior of such a system can be predicted using time-series data(da... A complex system is inherently high-dimensional.Recent studies indicate that,even without complete knowledge of its evolutionary dynamics,the future behavior of such a system can be predicted using time-series data(data-driven prediction).This suggests that the essential dynamics of a complex system can be captured through a low-dimensional representation.Virus evolution and climate change are two examples of complex,time-varying systems.In this article,we show that mutations in the spike protein provide valuable data for predicting SARS-CoV-2 variants,forecasting the possible emergence of the new macro-lineage Q in the near future.Our analysis also demonstrates that carbon dioxide concentration is a reliable indicator for predicting the evolution of the climate system,extending global surface air temperature(GSAT)forecasts through 2500. 展开更多
关键词 data-drivenprediction complex system virus evolution global warming
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Exploring the Effects of Background Image Complexity and Map Symbol Load on the Usability of Image-maps 被引量:1
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作者 PENG Qian XIA Yuxin QIU Zeren 《Journal of Geodesy and Geoinformation Science》 2025年第2期5-20,共16页
Image-maps,a hybrid design with satellite images as background and map symbols uploaded,aim to combine the advantages of maps’high interpretation efficiency and satellite images’realism.The usability of image-maps i... Image-maps,a hybrid design with satellite images as background and map symbols uploaded,aim to combine the advantages of maps’high interpretation efficiency and satellite images’realism.The usability of image-maps is influenced by the representations of background images and map symbols.Many researchers explored the optimizations for background images and symbolization techniques for symbols to reduce the complexity of image-maps and improve the usability.However,little literature was found for the optimum amount of symbol loading.This study focuses on the effects of background image complexity and map symbol load on the usability(i.e.,effectiveness and efficiency)of image-maps.Experiments were conducted by user studies via eye-tracking equipment and an online questionnaire survey.Experimental data sets included image-maps with ten levels of map symbol load in ten areas.Forty volunteers took part in the target searching experiments.It has been found that the usability,i.e.,average time viewed(efficiency)and average revisits(effectiveness)of targets recorded,is influenced by the complexity of background images,a peak exists for optimum symbol load for an image-map.The optimum levels for symbol load for different image-maps also have a peak when the complexity of the background image/image map increases.The complexity of background images serves as a guideline for optimum map symbol load in image-map design.This study enhanced user experience by optimizing visual clarity and managing cognitive load.Understanding how these factors interact can help create adaptive maps that maintain clarity and usability,guiding AI algorithms to adjust symbol density based on user context.This research establishes the practices for map design,making cartographic tools more innovative and more user-centric. 展开更多
关键词 remote sensing image map point label complexity
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A phenylphenthiazide anchored Tb(Ⅲ)-cyclen complex for fluorescent turn-on sensing of ClO^(-) 被引量:1
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作者 Ya-Ping Liu Zhi-Rong Gui +4 位作者 Zhen-Wen Zhang Sai-Kang Wang Wei Lang Yanzhu Liu Qian-Yong Cao 《Chinese Chemical Letters》 2025年第2期269-273,共5页
A phenylphenothiazine anchored Tb(Ⅲ)-cyclen complex PTP-Cy-Tb for hypochlorite ion(ClO^(-))detection has been designed and prepared.PTP-Cy-Tb shows a weak Tb-based emission with AIE-characteristics in aqueous solutio... A phenylphenothiazine anchored Tb(Ⅲ)-cyclen complex PTP-Cy-Tb for hypochlorite ion(ClO^(-))detection has been designed and prepared.PTP-Cy-Tb shows a weak Tb-based emission with AIE-characteristics in aqueous solutions.After addition of ClO^(-),the fluorescence of PTP-Cy-Tb gives a large enhancement for oxidization the thioether to sulfoxide group.The detection limit of PTP-Cy-Tb toward ClO^(-)is as low as 8.85 nmol/L.The sensing mechanism was detailedly investigated by time of flight mass spectrometer(TOF-MS),Fourier transform infrared spectroscopy(FT-IR)and density functional theory(DFT)calculation.In addition,PTP-Cy-Tb has been successfully used for on-site and real-time detection of ClO^(-)in real water samples by using the smartphone-based visualization method and test strips. 展开更多
关键词 Phenylphenothiazine Tb(III)complex AIE Hypochlorite ion SENSING
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A mitochondria targeting Ir(Ⅲ)complex triggers ferroptosis and autophagy for cancer therapy:A case of aggregation enhanced PDT strategy for metal complexes 被引量:1
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作者 Panpan Wang Hongbao Fang +5 位作者 Mengmeng Wang Guandong Zhang Na Xu Yan Su Hongke Liu Zhi Su 《Chinese Chemical Letters》 2025年第1期374-380,共7页
Metal complexes hold significant promise in tumor diagnosis and treatment.However,their potential applications in photodynamic therapy(PDT)are hindered by issues such as poor photostability,low yield of reactive oxyge... Metal complexes hold significant promise in tumor diagnosis and treatment.However,their potential applications in photodynamic therapy(PDT)are hindered by issues such as poor photostability,low yield of reactive oxygen species(ROS),and aggregation-induced ROS quenching.To address these challenges,we present a molecular self-assembly strategy utilizing aggregation-induced emission(AIE)conjugates for metal complexes.As a proof of concept,we synthesized a mitochondrial-targeting cyclometalated Ir(Ⅲ)photosensitizer Ir-TPE.This approach significantly enhances the photodynamic effect while mitigating the dark toxicity associated with AIE groups.Ir-TPE readily self-assembles into nanoaggregates in aqueous solution,leading to a significant production of ROS upon light irradiation.Photoirradiated Ir-TPE triggers multiple modes of death by excessively accumulating ROS in the mitochondria,resulting in mitochondrial DNA damage.This damage can lead to ferroptosis and autophagy,two forms of cell death that are highly cytotoxic to cancer cells.The aggregation-enhanced photodynamic effect of Ir-TPE significantly enhances the production of ROS,leading to a more pronounced cytotoxic effect.In vitro and in vivo experiments demonstrate this aggregation-enhanced PDT approach achieves effective in situ tumor eradication.This study not only addresses the limitations of metal complexes in terms of low ROS production due to aggregation but also highlights the potential of this strategy for enhancing ROS production in PDT. 展开更多
关键词 Metal complex AIEgens Mitochondria targeting Enhanced photodynamic therapy Anticancer agent
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Insight into leaching rare earth from ion-adsorption type rare earth ores with citric acid:Performance,kinetic analysis and differentiation leaching 被引量:1
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作者 Mengfei Zhao Zedong Teng +4 位作者 Xingyu Ma Xiaoliang Jiang Hualin Zhang Youming Yang Tinggang Li 《Journal of Rare Earths》 2025年第3期591-602,I0007,共13页
The rare earth elements(REEs)extraction by chemical leaching from ion-adsorption type rare earth ores(IAREO)has led to serious ecological and environmental risks.Conversely,demand for bioleaching is on the rise with t... The rare earth elements(REEs)extraction by chemical leaching from ion-adsorption type rare earth ores(IAREO)has led to serious ecological and environmental risks.Conversely,demand for bioleaching is on the rise with the advantage of being environmental-friendly.As one of the organic acids produced by biological metabolism,citric acid was used to leach REEs and explore the performance and process.The results demonstrate that citric acid exhibits higher leaching efficiency(96.00%)for REEs at a relatively low concentration of 0.01 mol/L compared with(NH_(4))_(2)SO_(4)(84.29%,0.1 mol/L)and MgSO_(4)(83.99%,0.1 mol/L).Citric acid shows a preference for leaching heavy rare earth elements,with 99%leaching efficiency in IAREO,which shows higher capacity than(NH_(4))_(2)SO_(4)and MgSO_(4)(as inorganic leaching agents).Kinetic analysis indicates that the leaching process of REEs with citric acid is controlled by both the internal diffusion kinetics and chemical reaction kinetics,which is different from inorganic leaching agents.Visual Minteq calculations confirm that RE-Citrate is the main constituent of the extract solution in the leaching process of the IAREO,thereby enhancing the leaching efficiency of REEs from the IAREO.It suggests that citric acid may be used as a promising organic leaching agent for the environmentalfriendly extraction of REEs from IAREO. 展开更多
关键词 Ion-adsorption type rare earth ores Rare earths Citric acid COMPLEXATION Organic acid Differential leaching
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Massive Outbreak of Red Sprites in South Asia Observed from the Tibetan Plateau 被引量:1
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作者 Hailiang HUANG Gaopeng LU +5 位作者 Angel AN Di XU Zhengwei CHENG Yongping WANG Yazhou CHEN Xin HUANG 《Advances in Atmospheric Sciences》 2025年第6期1247-1260,共14页
On 19 May 2022, an outbreak of 105 red sprites that occurred over South Asia was fortuitously recorded by two amateurs from a site in the southern Tibetan Plateau(TP), marking the highest number captured over a single... On 19 May 2022, an outbreak of 105 red sprites that occurred over South Asia was fortuitously recorded by two amateurs from a site in the southern Tibetan Plateau(TP), marking the highest number captured over a single thunderstorm in South Asia. Nearly half of these events involved dancing sprites, with an additional 16 uncommon secondary jets and at least four extremely rare green emissions called “ghosts” observed following the associated sprites. Due to the absence of the precise timing needed to identify parent lightning, a method based on satellite motion trajectories and star fields is proposed to infer video frame timestamps within an error of less than one second. After verifying 95 sprites from two videos, our method identified the parent lightning for 66 sprites(~70%). The sprite-producing strokes, mainly of positive polarity with peak currents exceeding +50 k A, occurred in the stratiform region of a mesoscale convective complex(MCC)that spanned the Ganges Plain to the southern TP, with a cloud area over 200 000 km2 and a minimum cloud-top black body temperature near 180 K. This observation confirms that thunderstorms in South Asia, akin to mesoscale convective systems(MCSs) in the Great Plains of the United States or coastal thunderstorms in Europe, can produce numerous sprites,including complex species. Our analysis bears important implications for characterizing thunderstorms above the southern TP and examining their physical and chemical effects on the adjacent regions, as well as the nature of the coupling between the troposphere and middle-upper atmosphere in this region. 展开更多
关键词 red sprites Tibetan Plateau South Asia parent lightning strokes satellite trajectory mesoscale convective complex
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Smart cities,smart systems:A comprehensive review of system dynamics model applications in urban studies in the big data era 被引量:1
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作者 Gift Fabolude Charles Knoble +1 位作者 Anvy Vu Danlin Yu 《Geography and Sustainability》 2025年第1期25-36,共12页
This paper addresses urban sustainability challenges amid global urbanization, emphasizing the need for innova tive approaches aligned with the Sustainable Development Goals. While traditional tools and linear models ... This paper addresses urban sustainability challenges amid global urbanization, emphasizing the need for innova tive approaches aligned with the Sustainable Development Goals. While traditional tools and linear models offer insights, they fall short in presenting a holistic view of complex urban challenges. System dynamics (SD) models that are often utilized to provide holistic, systematic understanding of a research subject, like the urban system, emerge as valuable tools, but data scarcity and theoretical inadequacy pose challenges. The research reviews relevant papers on recent SD model applications in urban sustainability since 2018, categorizing them based on nine key indicators. Among the reviewed papers, data limitations and model assumptions were identified as ma jor challenges in applying SD models to urban sustainability. This led to exploring the transformative potential of big data analytics, a rare approach in this field as identified by this study, to enhance SD models’ empirical foundation. Integrating big data could provide data-driven calibration, potentially improving predictive accuracy and reducing reliance on simplified assumptions. The paper concludes by advocating for new approaches that reduce assumptions and promote real-time applicable models, contributing to a comprehensive understanding of urban sustainability through the synergy of big data and SD models. 展开更多
关键词 Urban sustainability Smart cities System dynamics models Big data analytics Urban system complexity Data-driven urbanism
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Impact of message fatigue and individual behavioral responses on epidemiological spread in temporal simplicial networks 被引量:1
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作者 Xiao-Nan Fan Xuemei You 《Chinese Physics B》 2025年第3期32-43,共12页
Health information spreads rapidly,which can effectively control epidemics.However,the swift dissemination of information also has potential negative impacts,which increasingly attracts attention.Message fatigue refer... Health information spreads rapidly,which can effectively control epidemics.However,the swift dissemination of information also has potential negative impacts,which increasingly attracts attention.Message fatigue refers to the psychological response characterized by feelings of boredom and anxiety that occur after receiving an excessive amount of similar information.This phenomenon can alter individual behaviors related to epidemic prevention.Additionally,recent studies indicate that pairwise interactions alone are insufficient to describe complex social transmission processes,and higher-order structures representing group interactions are crucial.To address this,we develop a novel epidemic model that investigates the interactions between information,behavioral responses,and epidemics.Our model incorporates the impact of message fatigue on the entire transmission system.The information layer is modeled using a static simplicial network to capture group interactions,while the disease layer uses a time-varying network based on activity-driven model with attractiveness to represent the self-protection behaviors of susceptible individuals and self-isolation behaviors of infected individuals.We theoretically describe the co-evolution equations using the microscopic Markov chain approach(MMCA)and get the epidemic threshold.Experimental results show that while the negative impact of message fatigue on epidemic transmission is limited,it significantly weakens the group interactions depicted by higher-order structures.Individual behavioral responses strongly inhibit the epidemic.Our simulations using the Monte Carlo(MC)method demonstrate that greater intensity in these responses leads to clustering of susceptible individuals in the disease layer.Finally,we apply the proposed model to real networks to verify its reliability.In summary,our research results enhance the understanding of the information-epidemic coupling dynamics,and we expect to provide valuable guidance for managing future emerging epidemics. 展开更多
关键词 Monte Carlo simulation microscopic Markov chain approach message fatigue information-epidemic coupled spreading simplicial complex
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Diversity,Complexity,and Challenges of Viral Infectious Disease Data in the Big Data Era:A Comprehensive Review 被引量:1
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作者 Yun Ma Lu-Yao Qin +1 位作者 Xiao Ding Ai-Ping Wu 《Chinese Medical Sciences Journal》 2025年第1期29-44,I0005,共17页
Viral infectious diseases,characterized by their intricate nature and wide-ranging diversity,pose substantial challenges in the domain of data management.The vast volume of data generated by these diseases,spanning fr... Viral infectious diseases,characterized by their intricate nature and wide-ranging diversity,pose substantial challenges in the domain of data management.The vast volume of data generated by these diseases,spanning from the molecular mechanisms within cells to large-scale epidemiological patterns,has surpassed the capabilities of traditional analytical methods.In the era of artificial intelligence(AI)and big data,there is an urgent necessity for the optimization of these analytical methods to more effectively handle and utilize the information.Despite the rapid accumulation of data associated with viral infections,the lack of a comprehensive framework for integrating,selecting,and analyzing these datasets has left numerous researchers uncertain about which data to select,how to access it,and how to utilize it most effectively in their research.This review endeavors to fill these gaps by exploring the multifaceted nature of viral infectious diseases and summarizing relevant data across multiple levels,from the molecular details of pathogens to broad epidemiological trends.The scope extends from the micro-scale to the macro-scale,encompassing pathogens,hosts,and vectors.In addition to data summarization,this review thoroughly investigates various dataset sources.It also traces the historical evolution of data collection in the field of viral infectious diseases,highlighting the progress achieved over time.Simultaneously,it evaluates the current limitations that impede data utilization.Furthermore,we propose strategies to surmount these challenges,focusing on the development and application of advanced computational techniques,AI-driven models,and enhanced data integration practices.By providing a comprehensive synthesis of existing knowledge,this review is designed to guide future research and contribute to more informed approaches in the surveillance,prevention,and control of viral infectious diseases,particularly within the context of the expanding big-data landscape. 展开更多
关键词 viral infectious diseases big data data diversity and complexity data standardization artificial intelligence data analysis
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A Synergistic Multi-Attribute Decision-Making Method for Educational Institutions Evaluation Using Similarity Measures of Possibility Pythagorean Fuzzy Hypersoft Sets
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作者 Khuram Ali Khan Saba Mubeen Ishfaq +1 位作者 Atiqe Ur Rahman Salwa El-Morsy 《Computer Modeling in Engineering & Sciences》 SCIE EI 2025年第1期501-530,共30页
Due to the numerous variables to take into account as well as the inherent ambiguity and uncertainty,evaluating educational institutions can be difficult.The concept of a possibility Pythagorean fuzzy hypersoft set(pP... Due to the numerous variables to take into account as well as the inherent ambiguity and uncertainty,evaluating educational institutions can be difficult.The concept of a possibility Pythagorean fuzzy hypersoft set(pPyFHSS)is more flexible in this regard than other theoretical fuzzy set-like models,even though some attempts have been made in the literature to address such uncertainties.This study investigates the elementary notions of pPyFHSS including its set-theoretic operations union,intersection,complement,OR-and AND-operations.Some results related to these operations are also modified for pPyFHSS.Additionally,the similarity measures between pPyFHSSs are formulated with the assistance of numerical examples and results.Lastly,an intelligent decision-assisted mechanism is developed with the proposal of a robust algorithm based on similarity measures for solving multi-attribute decision-making(MADM)problems.A case study that helps the decision-makers assess the best educational institution is discussed to validate the suggested system.The algorithmic results are compared with the most pertinent model to evaluate the adaptability of pPyFHSS,as it generalizes the classical possibility fuzzy set-like theoretical models.Similarly,while considering significant evaluating factors,the flexibility of pPyFHSS is observed through structural comparison. 展开更多
关键词 Hypersoft set Pythagorean fuzzy hypersoft set computational complexity multi-attribute decision-making optimization similarity measures uncertainty
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