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Preparation and Structure-Property Regulation Mechanism of Reversible Thermochromic Polydiacetylene

Chinese Journal of Polymer Science 2024年第8期42卷 1111-1121页

作者： Zhi-Qing Ge Shuo yan Zu-Xiong Pan Shan Lei Xuan-Zhi Mao Chu Zhao Mo-Zhen Wang xue-Wu Ge Key Laboratory of Precision and Intelligent Chemistry Department of Polymer Science and EngineeringUniversity of Science and Technology of ChinaHefei 230026China Marshall Laboratory of Biomedical Engineering International Cancer CenterLaboratory of Evolutionary Theranostics(LET)School of Biomedical EngineeringShenzhen University Medical SchoolShenzhen UniversityShenzhen 518055China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China University of Chinese Academy of Sciences Beijing 100049China

The thermochromic mechanism and the structure-property regulation principle of reversible thermochromic polydiacetylene(PDA)materials have always been a challenging *** this work,a series of diacetylene monomers(m-PCDA)containing phenyl and amide or carboxyl groups were synthesized from 10,12-pentacosadiynoic acid(PCDA)through the esterification or amidation *** effects of the number and the distribution of the functional groups in m-PCDA molecules on their solid-state polymerization capability,and the thermochromic mechanism of their corresponding polymers(m-PDA)were investigated and discussed in *** results show that the m-PCDA monomers containing both benzene ring and groups that can form hydrogen bonding interactions have strong intermolecular interaction,and are easy to carry out the solid phase polymerization under 254-nm UV irradiation to obtain the corresponding new thermochromic m-PDA *** thermochromic behavior of m-PDA depends on its melting *** initial color-change temperature(blue to red)is determined by the onset melting tem perature,and the temperature range in which reversible color recovery can be achieved by repeat heating-cooling treatment is determined by its melting *** to the proposed thermochromic mechanism of PDA,various new PDA materials with precise thermochromic temperatu res and reversible thermochromic temperature ra nges can be designed and synthesized through the appropriate introduction of benzene ring and groups that can form hydrogen bonding interactions into the molecular structure of linear diacetylene *** work provides a perspective to the precise molecular structure design and the property regulation of the reversible thermochromic PDA materials.

关键词： Polydiacetylene Thermochromism Hydrogen bonding Chemical modification

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A nonenzymatic electrochemical sensor for the detection of hydrogen peroxide in vitro and in vivo fibrosis models

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Chinese Chemical Letters 2024年第3期35卷 394-398页

作者： Hongyao Liu yan Yu Taixiong xue Cailing Gan Yuting Xie Doudou Wang Peilin Li Zhiyong Qian Tinghong Ye Department of Gastroenterology and Hepatology Sichuan University-University of Oxford Huaxi Joint Centre for Gastrointestinal Cancer and Frontiers Science Center for Disease-Related Molecular NetworkState Key Laboratory of BiotherapyWest China HospitalSichuan UniversityChengdu 610041China Department of Biotherapy Cancer Center and State Key Laboratory of BiotherapyWest China HospitalSichuan UniversityChengdu 610041China

Fibrosis occurs due to the excessive deposition of extracellular matrix caused by cell *** various types of tissue injury,the dysregulation of the internal response can eventually lead to the destruction of organ structure and *** is increasing evidence that oxidative stress,which is characterized by excessive production of hydrogen peroxide(H_(2)O_(2)),is an important cause of ***,we synthesized a biosensitive and efficient electrochemical H_(2)O_(2)sensor based on PtNi nanoparticle-doped N-reduced graphene oxide(PtNi-N-rGO)to detect H_(2)O_(2)released from transforming growth factorβ1(TGFβ1)-induced *** addition,the sensor could easily detect changes in H_(2)O_(2)in the lung and bronchoalveolar lavage fluid(BALF)of mice with pulmonary ***,the sensor could also detect H_(2)O_(2)in activated hepatic stellate cells and the liver of carbon tetrachloride(CCl_(4))-induced liver ***,the alterations in H_(2)O_(2)detected by the sensor were consistent with nicotinamide adenine dinucleotide phosphate oxidase 4(NOX4)protein expression and the staining results of pathological *** together,these results highlight the use of H_(2)O_(2)sensors for the rapid detection of fibrosis and facilitate the rapid evaluation of antifibrotic drug candidates.

关键词： Fibrosis H_(2)O_(2) Electrochemical sensor NOX4 Nintedanib

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Four-birds-with-one-stone:A multifunctional Ti-based material for solar-driven water evaporation

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Nano Research 2024年第5期17卷 4498-4506页

作者： yannan Li yaning Sun Dan Zhang Yu xue Jie Wang Nan Zhang Jun Wang Jiangwei Zhang yan Zhao Jun-Jie Liu School of Physical Science and Technology College of Energy Materials and ChemistryInner Mongolia UniversityHohhot 010021China

Sustainable,environmentally friendly and low-energy desalination materials have important research value for the increasing demand of freshwater year by ***,it is a huge challenge to maintain high heat energy transfer efficiency without reducing the heat conversion capacity of specific solar photothermal conversion ***,their efficiency and durability are greatly limited by the problems of seawater corrosion,oil,and bacteria *** now,no related work has been reported to solve all the aforementioned problems via a simple four-birds-with-one-stone ***,a class of multifunctional porous photothermal silver(Ag)modified Ti foams(Tf-TA/Ag series materials)is prepared for the development of advanced solar water evaporation devices,and provides alternative materials for alleviating freshwater crisis and treating *** oil contact angle(OCA)changes from 41°to 180°,which significantly reduces the adhesion of *** addition,Tf-TA2/Ag sample also shows an excellent and sustained antibacterial effect,which maintains above 99.9%of antibacterial rate after repeated 5 *** surface temperature of the Tf-TA2/Ag sample reaches 52.5℃ after simulated sun irradiation for 20 min,which is significantly higher than that of the contact groups(water:36.4℃,Ti foam:38.2℃ and Tf-TA2:40.9℃).The capacity of seawater evaporation and salt removal is enhanced due to the excellent photothermal properties,low reflectance,and uniform heat dissipation *** water production efficiency of Tf-TA2/Ag sample is 1.41 kg·m^(-2)·h^(-1) in artificial seawater and 0.76 kg·m^(-2)·h^(-1) in oily sewage under simulated sun ***,the hydrophilic and oleophobic properties of Tf-TA2/Ag are critical to extracting water from oil/water mixture in diverse water ***,this four-birds-with-one-stone approach provides a new perspective for the improvement of solar seawater desalination performance.

关键词： four-birds-with-one-stone photothermal material antibacterial material antifouling property

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A deep learning interatomic potential suitable for simulating radiation damage in bulk tungsten

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Tungsten 2024年第2期6卷 304-322页

作者： Chang-Jie Ding Ya-Wei Lei Xiao-yang Wang Xiao-Lin Li Xiang-yan Li yan-Ge Zhang Yi-Chun Xu Chang-Song Liu xue-Bang Wu Key Laboratory of Materials Physics Institute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei 230031China Science Island University of Science and Technology of ChinaHefei 230026China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China

So far, it has been a challenge for existing interatomic potentials to accurately describe a wide range of physical properties and maintain reasonable efficiency. In this work, we develop an interatomic potential for simulating radiation damage in body-centered cubic tungsten by employing deep potential, a neural network-based deep learning model for representing the potential energy surface. The resulting potential predicts a variety of physical properties consistent with first-principles calculations, including phonon spectrum, thermal expansion, generalized stacking fault energies, energetics of free surfaces, point defects, vacancy clusters, and prismatic dislocation loops. Specifically, we investigated the elasticity-related properties of prismatic dislocation loops, i.e., their dipole tensors, relaxation volumes, and elastic interaction energies. This potential is found to predict the maximal elastic interaction energy between two 1/2 loops better than previous potentials, with a relative error of only 7.6%. The predicted threshold displacement energies are in reasonable agreement with experimental results, with an average of 128 eV. The efficiency of the present potential is also comparable to the tabulated gaussian approximation potentials and modified embedded atom method potentials, meanwhile, can be further accelerated by graphical processing units. Extensive benchmark tests indicate that this potential has a relatively good balance between accuracy, transferability, and efficiency.

关键词： Machine learning Deep learning Interatomic potential Radiation damage Tungsten

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The effects of prolonged sitting behavior on resting-state brain functional connectivity in college students post-COVID-19 rehabilitation:A study based on fNIRS technology

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Sports Medicine and Health Science 2024年第3期6卷 287-294页

作者： Xiaocong yan Ying Qin Haifeng Yu Zhenghao xue Desheng Jiang Limin Huang Graduate School Harbin Sport UniversityHarbin150008China College of Sports and Human Sciences Harbin Sport UniversityHarbin150008China

Functional near-infrared spectroscopy(fNIRS)was used to explore the effects of sedentary behavior on the brain functional connectivity characteristics of college students in the resting state after recovering from Corona Virus Disease 2019(COVID-19).Twenty-two college students with sedentary behavior and 22 college students with sedentary behavior and maintenance of exercise habits were included in the analysis;moreover,8 min fNIRS resting-state data were *** on the concentrations of oxyhemoglobin(HbO2)and deoxyhemoglobin(HbR)in the time series,the resting-state functional connection strength of the two groups of subjects,including the prefrontal cortex(PFC)and the lower limb supplementary motor area(LS),as well as the functional activity and functional connections of the primary motor cortex(M1)were *** following findings were demonstrated.(1)Functional connection analysis based on HbO2 demonstrated that in the comparison of the mean functional connection strength of homologous regions of interest(ROIs)between the sedentary group and the exercise group,there was no significant difference in the mean functional strength of the ROIs between the two groups(p>0:05).In the comparison of the mean functional connection strengths of the two groups of heterologous ROIs,the functional connection strengths of the right PFC and the right LS(p?0:0097),the left LS(p?0:0127),and the right M1(p?0:0305)in the sedentary group were significantly *** functional connection strength between the left PFC and the right LS(p?0:0312)and the left LS(p?0:0370)was significantly ***,the functional connection strength between the right LS and the right M1(p?0:0370)and the left LS(p?0:0438)was significantly greater.(2)Functional connection analysis based on HbR demonstrated that there was no significant difference in functional connection strength between the sedentary group and the exercise group(p>0:05)or between the sedentary group and the exerci

关键词： fNIRS COVID-19 Sedentary behavior Resting state College students Functional connectivity

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Zeolite-confined Fe-site Catalysts for the Hydrogenation of CO_(2) to Produce High-value Chemicals

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Chemical Research in Chinese Universities 2024年第1期40卷 78-95页

作者： HAN Xiaoyang XIA Huicong TU Weifeng WEI Yifan xue Dongping LI Minhan yan Wenfu ZHANG Jia-Nan HAN Yi-Fan College of Materials Science and Engineering Zhengzhou UniversityZhengzhou450001P.R.China State Key Laboratory of Coking Coal Resources Green Exploitation Zhengzhou UniversityZhengzhou450001P.R.China Engineering Research Center of Advanced Functional Material Manufacturing of Ministry of Education School of Chemical EngineeringZhengzhou UniversityZhengzhou450001P.R.China State Key Laboratory of Inorganic Synthesis and Preparative Chemistry and College of Chemistry Jilin UniversityChangchun130012P.R.China State Key Laboratory of Chemical Engineering East China University of Science and TechnologyShanghai200237P.R.China

Zeolite-confined Fe-site catalysts(ZFCs)have emerged as superior materials for sustainably producing high-value chemicals through CO_(2) hydrogenation,owing to their adaptable framework,customizable composition,and thermal *** excel in activating,adsorbing,and converting CO_(2) with remarkable efficiency and consistency in *** has sparked a surge in research interest in recent *** review delves into the latest advancements in CO_(2) catalytic hydrogenation to olefins,alcohols,aromatics,and other liquid hydrocarbons,examining the synthesis,modification tactics,and the correlation between structure and performance across various ***,it underscores the pivotal factors affecting performance and sheds light on the mechanisms behind selectivity control in the CO_(2) hydrogenation process facilitated by *** conclude,it presents pressing challenges and strategic recommendations to inspire the development of high-performance,durable ZFCs for CO_(2) hydrogenation applications.

关键词： Zeolite-confined Fe-site catalyst CO_(2) hydrogenation Modification strategy High-value chemical

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Danggui Shaoyao powder improves hepatic lipid metabolism in atherosclerosis mice via PPARγ-LXRα-ABCA1 pathway regulation

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Journal of Traditional Chinese Medical Sciences 2024年第2期11卷 199-206页

作者： xue Pian yang Tang Yuemeng Sun Yuhan Sheng Shuxin yan Huimin Yuan yan Sun Jian Cui Yuhang Li School of Traditional Chinese Medicine Beijing University of Chinese MedicineBeijing102488China School of Traditional Chinese Medicine Inner Mongolia Medical UniversityHohhot010110China Columbia University Irving Medical Center New YorkNY 10032USA

Objective To observe the effects of Danggui Shaoyao powder(DSP)on hepatic lipid metabolism and further explore its mechanism of action by peroxisome proliferator-activated receptor(PPARγ)-liver X receptor(LXRα)-adenosine triphosphate(ATP)-binding cassette transporter A1(ABCA1)pathway *** Eight C57BL/6J male mice were selected as the control group,and 24 ApoE^(−/−)male mice were randomly divided into the atherosclerosis model(AS)group,atorvastatin calcium(AC)group,and DSP group(n=8 each group).To establish an AS model,ApoE^(−/−)mice were fed a high-fat diet for 16 *** changes in the aortic vasculature and liver were identified using Oil Red O ***(TG),cholesterol(TC),and low-density lipoprotein cholesterol(LDL-C)levels were determined in the livers using a single-reagent GPO-PAP *** quantitative polymerase chain reaction and western blot were used to observe and evaluate the mRNA and protein expression of the PPARγ-LXRα-ABCA1 intermediates in the *** After 16 weeks of a high-fat diet,ApoE−/−mice showed more Oil Red O staining in the aorta and liver compared to the CONT *** to the AS group,the DSP and AC treatment reduced aortic plaque and hepatic lipid deposition to varying ***,DSP significantly reduced the hepatic lipid area in ApoE^(−/−)mice(P<.001)and decreased the levels of TG,TC,and LDL-C in liver(P<.001,P=.027,P<.001,respectively).DSP also significantly increased the levels of PPARγ,LXRα,ABCA1,and ABCG1 mRNA expression,as well as the PPARγ,LXRα,ABCA1,and ABCG1 protein expression in *** DSP improved hepatic lipid metabolism via PPARγ-LXRα-ABCA1 pathway modulation for AS treatment.

关键词： Danggui Shaoyao powder Atherosclerosis PPARγ-LXRα-ABCA1 pathway Reverse cholesterol transport

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Integrating machine learning and CALPHAD method for exploring low-modulus near-β-Ti alloys

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Rare Metals 2024年第1期43卷 309-323页

作者： Hao Zou Yue-yan Tian Li-Gang Zhang Ren-Hao xue Zi-Xuan Deng Ming-Ming Lu Jian-Xin Wang Li-Bin Liu School of Computer Science and Engineering Central South UniversityChangsha 410083China School of Materials Science and Engineering Central South UniversityChangsha 410083China State Key Laboratory of Powder Metallurgy Central South UniversityChangsha 410083China

Traditional theoretical and empirical calculation methods can guide the design of β-and metastable β-alloys for bio-titanium. However, it is still difficult to obtain novel near-β-Ti alloys with low modulus. This study developed a method that combines machine learning with calculation of phase diagrams(CALPHAD) to facilitate the design of near-β-Ti alloys. An elastic modulus database of Ti–Nb–Zr–Mo–Ta–Sn system was constructed first, and then three features(the electron to atom ratio, mean absolute deviation of atom mass, and mean electronegativity) were selected as the key factors of modulus by performing a three-step feature selection. With these features, a highly accurate model was built for predicting the modulus of near-β-Ti alloys. To further ensure the accuracy of modulus prediction, machine learning with the elastic constants calculated was leveraged by CALPHAD database. The root mean square error of the well-trained model can be as low as 6.75 GPa. Guided by the prediction of machine learning and CALPHAD, three novel near-β-Ti alloys with elastic modulus below 50 GPa were successfully designed in this study. The best candidate alloy(Ti–26Nb–4Zr–4Sn–1Mo–Ta) exhibits an ultra-low modulus(36.6 GPa) after cold rolling with a thickness reduction of 20%. Our method can greatly save time and resources in the development of novel Ti alloys, and experimental verifications have demonstrated the reliability of this method.

关键词： Near-β-Ti alloy Machine learning Calculation of phase diagram Low-modulus alloy Feature selection

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Optimal proportioning of iron ore in sintering process based on improved multi-objective beluga whale optimisation algorithm

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Journal of Iron and Steel Research International 2024年第7期31卷 1597-1609页

作者： Zong-ping Li Xu-dong Li xue-tong yan Wu Wen Xiao-xin Zeng Rong-jia Zhu Ya-hui Wang Ling-zhi Yi Zhongye Changtian International Engineering Co. Ltd.Changsha 410205HunanChina College of Automation and Electronic Information Xiangtan UniversityXiangtan 411105HunanChina College of Electrical and Information Engineering Hunan UniversityChangsha 410082HunanChina

Proportioning is an important part of sintering,as it affects the cost of sintering and the quality of sintered *** address the problems posed by the complex raw material information and numerous constraints in the sintering process,a multi-objective optimisation model for sintering proportioning was established,which takes the proportioning cost and TFe as the optimisation ***,an improved multi-objective beluga whale optimisation(IMOBWO)algorithm was proposed to solve the nonlinear,multi-constrained multi-objective optimisation *** algorithm uses the con-strained non-dominance criterion to deal with the constraint problem in the ***,the algorithm employs an opposite learning strategy and a population guidance mechanism based on angular competition and two-population competition strategy to enhance convergence and population *** actual proportioning of a steel plant indicates that the IMOBWO algorithm applied to the ore proportioning process has good convergence and obtains the uniformly distributed Pareto ***,compared with the actual proportioning scheme,the proportioning cost is reduced by 4.3361¥/t,and the TFe content in the mixture is increased by 0.0367%in the optimal compromise ***,the proposed method effectively balances the cost and total iron,facilitating the comprehensive utilisation of sintered iron ore resources while ensuring quality assurance.

关键词： Sintering process Proportioning Iron ore Multi-objective beluga whale optimisation algorithm Proportioning cost

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Association between the cumulative triglyceride-glucose index and the recurrence of atrial fibrillation after radiofrequency catheter ablation

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Journal of Geriatric Cardiology 2024年第2期21卷 200-210页

作者： Qing yan Jia-Qi LIANG Yi-De YUAN Yuan LI Jia-Li FAN Wen-Huan WU Pan XU Jia-Hong xue Department of Cardiovascular Medicine the Second Affiliated Hospital of Xi’an Jiaotong UniversityShaanxiChina Department of Cardiovascular Medicine Zichang People’s HospitalShaanxiChina Department of Ultrasound Xijing HospitalAir Force Military Medical UniversityShaanxiChina

BACKGROUND Triglyceride-glucose(TyG)index values are a new surrogate marker for insulin *** study aimed to explore the relationship between cumulative TyG index values and atrial fibrillation(AF)recurrence after radiofrequency catheter ablation(RFCA).METHODS A total of 576 patients with AF who underwent RFCA at the Second Affiliated Hospital of Xi'an Jiaotong University were included in this *** participants were grouped based on cumulative TyG index values tertiles within 3 months after *** regression and restricted cubic spline analyses were used to determine the relationship between cumulative TyG index values and AF *** predictive value of all risk factors was assessed by receiver operating curve *** There were 375 patients completed the study(age:63.23±10.73 years,64.27%male).The risk of AF recurrence increased with increasing cumulative TyG index values *** adjusting for potential confounders,patients in the medium cumulative TyG index group[hazard ratio(HR)=4.949,95%CI:1.778–13.778,P=0.002]and the high cumulative TyG index group(HR=8.716,95%CI:3.371–22.536,P<0.001)had a higher risk of AF recurrence than those in the low cumulative TyG index *** restricted cubic spline regression model also showed an increased risk of AF recurrence with increasing cumulative TyG index *** considering cumulative TyG index values,left atrial diameter,and lactate dehydrogenase levels as a comprehensive factor,the model could effectively predict AF recurrence after RFCA[area under the curve(AUC)=0.847,95%CI:0.797–0.897,P<0.001].CONCLUSIONS Cumulative TyG index values were a risk factor for AF recurrence after *** longitudinal TyG index values may assist with optimized for risk stratification and outcome prediction for AF recurrence.

关键词： atrial fibrillation index

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