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

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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The Role of Renewable Protocatechol Acid in Epoxy Coating Modification: Significantly Improved Antibacterial and Adhesive Properties

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Chinese Journal of Polymer Science 2024年第1期42卷 63-72,I0008页

作者： ming-Xuan Chen Jin-yue Dai Li-yue Zhang Shuai-Peng Wang Jing-Kai Liu Yong-Gang Wu Xin-Wu Ba Xiao-Qing Liu School of Chemistry and Materials Science Hebei UniversityBaoding 071000China Ningbo Institute of Materials Technology and Engineering Chinese Academy of SciencesNingbo 315201China Key Laboratory of Marine Materials and Related Technologies Chinese Academy of SciencesNingbo 315201China

It is of great significance to design epoxy coatings with superior antibacterial properties and high adhesive properties, as well as excellent processing, superior durability, and high transparency. However, it is still a challenge because of the common complex design and synthesis. Herein, the bio-based monomer protocatechuic acid(PCA) was used as raw material, the catechol structure with high bonding and antibacterial properties was introduced into the flexible alkane segment of ethylene glycol diglycidyl ether(EGDE) through an efficient, and green method, and it was cured with isophorone diamine(IPDA) to prepare corresponding thermosets. The cured resins exhibited excellent allaround qualities, particularly in bonding and antibacterial. When 30% PCA was added to pure epoxy resin, the adhesion between substrate and coating increased from 4.40 MPa to 13.60 MPa and the antibacterial rate of coating against E. coli and S. aureus could approach 100%. All of this is due to the fact that the catechol structure present in PCA has the ability to interact with various substrates and alter the permeability of bacterial cell membranes. The architecture of this method offers a fresh approach to dealing with the issues of challenging raw material selection and complex synthesis techniques.

关键词： Epoxy coatings Thermosets Catechol structure Antibacterial High adhesion

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Effects of dietary intervention on human diseases:molecular mechanisms and therapeutic potential

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Signal Transduction and Targeted Therapy 2024年第4期9卷 1389-1422页

作者： Yu-Ling Xiao yue Gong Ying-Jia Qi Zhi-ming Shao Yi-Zhou Jiang Key Laboratory of Breast Cancer in Shanghai Department of Breast SurgeryFudan University Shanghai Cancer CenterShanghaiChina Department of Oncology Shanghai Medical CollegeFudanUniversityShanghai200032China

Diet,serving as a vital source of nutrients,exerts a profound influence on human health and disease ***,dietary interventions have emerged as promising adjunctive treatment strategies not only for cancer but also for neurodegenerative diseases,autoimmune diseases,cardiovascular diseases,and metabolic *** interventions have demonstrated substantial potential in modulating metabolism,disease trajectory,and therapeutic *** reprogramming is a hallmark of malignant progression,and a deeper understanding of this phenomenon in tumors and its effects on immune regulation is a significant challenge that impedes cancer *** intake,as a key environmental factor,can influence tumor *** evidence indicates that dietary interventions might affect the nutrient availability in tumors,thereby increasing the efficacy of cancer ***,the intricate interplay between dietary interventions and the pathogenesis of cancer and other diseases is *** encouraging results,the mechanisms underlying diet-based therapeutic strategies remain largely unexplored,often resulting in underutilization in disease *** this review,we aim to illuminate the potential effects of various dietary interventions,including calorie restriction,fasting-mimicking diet,ketogenic diet,protein restriction diet,high-salt diet,high-fat diet,and high-fiber diet,on cancer and the aforementioned *** explore the multifaceted impacts of these dietary interventions,encompassing their immunomodulatory effects,other biological impacts,and underlying molecular *** review offers valuable insights into the potential application of these dietary interventions as adjunctive therapies in disease management.

关键词： diseases metabolism potential

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Impacts of proppant distribution on development of tight oil reservoirs with threshold pressure gradient

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Petroleum Science 2024年第1期21卷 445-457页

作者： ming yue Wei-Yao Zhu Fei-Fei Gou Tian-Ru Song Yu-Chun You Qi-Tao Zhang State Key Laboratory of Shale Oil and Gas Enrichment Mechanisms and Effective Development Beijing102206China School of Civil and Resource Engineering University of Science and Technology BeijingBeijing100083China

Field evidence indicates that proppant distribution and threshold pressure gradient have great impacts on well *** at the development of unconventional oil reservoirs in Triassic Chang-7 Unit,Ordos Basin of China,we presented an integrated workflow to investigate how(1)proppant placement in induced fracture and(2)non-linear flow in reservoir matrix would affect well productivity and fluid flow in the *** with our research before(yue et al.,2020),here we extended this study into the development of multi-stage fractured horizontal wells(MFHWs)with large-scale complicated fracture *** integrated workflow is based on the finite element method and consists of simulation models for proppant-laden fluid flow,fracture flow,and non-linear seepage flow,*** results indicate that the distribution of proppant inside the induced cracks significantly affects the productivity of the *** we assign an idealized proppant distribution instead of the real distribution,there will be an overestimation of 44.98%in daily oil rate and 30.63%in cumulative oil production after continuous development of 1000 ***,threshold pressure gradient(TPG)also significantly affects the well performance in tight oil *** we simply apply linear Darcy’s law to the reservoir matrix,the overall cumulative oil production can be overrated by 77%after 1000 days of *** general,this research provides new insights into the development of tight oil reservoirs with TPG and meanwhile reveals the significance of proppant distribution and non-linear fluid flow in the production scenario design.

关键词： Proppant distribution Tight oil reservoir Multi-stage fractured horizontal well Threshold pressure gradient Moving boundary

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Using Copula functions to predict climatic change impacts on floods in river source regions

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Advances in Climate Change Research 2024年第3期15卷 406-418页

作者： Ting-Xing CHEN Hai-Shen LYU Robert HORTON Yong-Hua ZHU Ren-Sheng CHEN ming-yue SUN ming-Wen LIU Yu LIN The National Key Laboratory of Water Disaster Prevention College of Hydrology and Water ResourcesHohai UniversityNanjing 2098China College of Hydrology and Water Resources Hohai UniversityNanjing 210098China Departmentof Agronomy lowa State UniversityAmes IA5oollUSA Qilian Alpine Eology and Hydrology Research Station Northwest Instiuteof Eco-Environmentand ReourcesChinese Academy of SciencesLanzhou0000 China

Flood frequency in river source regions is significantly affected by rainfall and snowmelt as part of climatic changes.A traditional univariate flood frequency analysis cannot reflect the complexity of floods,and when used in isolation,it can only underestimate flood *** effective flood prevention and mitigation,it is essential to consider the combined effects of precipitation and *** functions can effectively quantify the joint distribution relationship between floods and their associated variables without restrictions on their distribution *** study uses copula functions to consider a multivariate probability distribution model of flood peak flow(Q)with cumulative snowmelt(CSm)and cumulative precipitation(CPr)for the Hutubi River basin located in northern Xinjiang,*** joint frequencies of rainfall and snowmelt floods are predicted using copula models based on the Coupled Model Intercomparison Project Phase 6 *** results show that Q has a significant positive correlation with 24-d CSm(r=0.559,p=0.002)and 23-d CPr(r=0.965,p<0.05).Flood frequency will increase in the future,and mid-(2050e2074)and long-term(2075e2099)floods will be more severe than those in the near-term(2025e2049).The probability of flood occurrence is higher under the SSP2-4.5 and SSP1-2.6 scenarios than under *** during the historical period(1990e2014)led to extreme floods,and increasing future precipitation trends are found to be *** increases with rising temperatures and occurs earlier than estimated,leading to an earlier flood period in the basin and more frequent snowmelt *** Q under the joint return period is larger than that during the same univariate return *** difference indicates that neglecting the interaction between precipitation and snowmelt for floods leads to an underestimation of the flood risk(with underestimations ranging from 0.3%to 22%).The underestimations decrease with an increase

关键词： Climate change Flood frequency Copula CMIP6 River source regions

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Pathogenesis of chronic enteropathy associated with the SLCO2A1 gene:Hypotheses and conundrums

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World Journal of Gastroenterology 2024年第19期30卷 2505-2511页

作者： Zhi-Xin Xie yue Li Ai-ming Yang Dong Wu Qiang Wang State Key Laboratory of Complex Severe and Rare Diseases Department of GastroenterologyPeking Union Medical College HospitalChinese Academy of Medical SciencesBeijing 100730China Department of Clinical Medicine Peking Union Medical CollegeChinese Academy of Medical SciencesBeijing 100730China

Chronic enteropathy associated with the SLCO2A1 gene(CEAS)is a complex gastroenterological condition characterized by multiple ulcers in the small intestine with chronic bleeding and protein *** review explores the potential mechanisms underlying the pathogenesis of CEAS,focusing on the role of SLCO2A1-encoded prostaglandin transporter OATP2A1 and its impact on prostaglandin E2(PGE2)*** have suggested that elevated PGE2 levels contribute to mucosal damage,inflammation,and disruption of the intestinal *** effects of PGE2 on macrophage activation and Maxi-Cl channel functionality,as well as its interaction with nonsteroidal anti-inflammatory drugs play crucial roles in the progression of *** the balance between its protective and pro-inflammatory effects and the complex interactions within the gastrointestinal tract can shed light on potential therapeutic targets for CEAS and guide the development of novel,targeted therapies.

关键词： SLCO2A1 Prostaglandin E2 Chronic enteropathy associated with the SLCO2A1 gene Small intestine Macrophage

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Synthesis,chemical bonding and reactivity of new medium-sized polyarsenides

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Chinese Chemical Letters 2024年第7期35卷 497-501页

作者： Xu-Hui yue Xiang-Wen Zhang Hui-Min He Lei Qiao Zhong-ming Sun State Key Laboratory of Element-Organic Chemistry Tianjin Key Lab for Institution Rare Earth Materials and ApplicationsSchool of Materials Science and EngineeringNankai UniversityTianjin 300350China Department of Physics Institute of Computational and Applied PhysicsTaiyuan Normal UniversityJinzhong 030619China

Gaining an understanding of the growth mechanism from single atoms to clusters and bulk materials continues to present a ***,it is important to explore the evolving trends of clusters in the structure and properties during the size *** this work,we report the synthesis and characterization of two medium-sized chain-like polyarsenic anions.[As_(21)]^(3-)represents a trimeric example of polyarsenic anion assembled through oxidative coupling of As_(7)^(3-)*** anion As_(18)^(4-)included in[As_(18)MO_(2)(CO)_(8)]^(4-)is regarded as formed by two realgar-type As_(8)subunits connected by a dinuclear AsAs *** As_(18)cluster was previously predicted by theory,and this is the first time successfully synthesized using wet chemistry ***,small-sized polyarsenides As_(2)^(2-)and As_(10)^(2-)were found in compound[K(18-crown-6)]_(3)[As_(10)]_(0.5)[As_(4){Mo(CO)_(3)}_(2)]_(0.5)·*** these,the former exhibits coordination with metal ***-crystal X-ray diffraction combined with quantum chemical calculations revealed the formation of double bonded As_(2)^(2-)stabilized by metal carbonyl *** work demonstrates a novel synthetic approach for the preparation of new polyarsenides and highlights their intriguing bonding characteristics,laying the foundation for the synthesis of such compounds and paving the way for their potential applications.

关键词： Polyarsenide Zintl anions Chain-like cluster DFT calculations AdNDP

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Cone-beam computed tomography noise reduction method based on U-Net with convolutional block attention module in proton therapy

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Nuclear Science and Techniques 2024年第7期35卷 89-100页

作者： Xing-yue Ruan Xiu-Fang Li Meng-Ya Guo Mei Chen ming Lv Rui Li Zhi-Ling Chen Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai201800China University of Chinese Academy of Sciences Beijing100049China Shanghai Advanced Research Institute Chinese Academy of SciencesShanghai201210China Department of Radiation Oncology Ruijin HospitalShanghai Jiao Tong University School of MedicineShanghai200025China Shanghai Key Laboratory of Proton therapy Shanghai201801China

Cone-beam computed tomography(CBCT) is mostly used for position verification during the treatment process. However,severe image artifacts in CBCT hinder its direct use in dose calculation and adaptive radiation therapy re-planning for proton therapy. In this study, an improved U-Net neural network named CBAM-U-Net was proposed for CBCT noise reduction in proton therapy, which is a CBCT denoised U-Net network with convolutional block attention modules. The datasets contained 20 groups of head and neck images. The CT images were registered to CBCT images as ground truth. The original CBCT denoised U-Net network, sCTU-Net, was trained for model performance comparison. The synthetic CT(SCT) images generated by CBAM-U-Net and the original sCTU-Net are called CBAM-SCT and U-Net-SCT images, respectively. The HU accuracies of the CT, CBCT, and SCT images were compared using four metrics: mean absolute error(MAE), root mean square error(RMSE), peak signal-to-noise ratio(PSNR), and structure similarity index measure(SSIM). The mean values of the MAE, RMSE, PSNR, and SSIM of CBAM-SCT images were 23.80 HU, 64.63 HU, 52.27 dB, and 0.9919, respectively,which were superior to those of the U-Net-SCT images. To evaluate dosimetric accuracy, the range accuracy was compared for a single-energy proton beam. The γ-index pass rates of a 4 cm × 4 cm scanned field and simple plan were calculated to compare the effects of the noise reduction capabilities of the original U-Net and CBAM-U-Net on the dose calculation results. CBAM-U-Net reduced noise more effectively than sCTU-Net, particularly in high-density tissues. We proposed a CBAM-U-Net model for CBCT noise reduction in proton therapy. Owing to the excellent noise reduction capabilities of CBAM-U-Net, the proposed model provided relatively explicit information regarding patient tissues. Moreover, it maybe be used in dose calculation and adaptive treatment planning in the future.

关键词： Proton therapy Cone-beam CT CBAM-U-Net γ-index

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Biobased Furfurylated Poplar Wood for Flame-Retardant Modification with Boric Acid and Ammonium Dihydrogen Phosphate

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Journal of Renewable Materials 2024年第8期12卷 1355-1368页

作者： ming Ni Lei Li Yiqiang Wu Jianzheng Qiao Yan Qing Ping Li Yingfeng zuo College of Materials Science and Engineering Central South University of Forestry and TechnologyChangsha410004China College of Furniture and Art Design Central South University of Forestry and TechnologyChangsha410004China

Furfurylated wood exhibits excellent dimensional stability and corrosion resistance,making it a promising material for constructing buildings,but it is highly ***,flame-retardant furfurylated poplar wood was produced via a two-step process utilizing boric acid(BA)and ammonium dihydrogen phosphate(ADP)as flame-retardant components,and biomass-derived furfuryl alcohol(FA)as a *** acidity of BA and ADP allowed them to catalyze the polymerization of FA,which formed a cross-linked network that immobilized BA and ADP inside the *** addition of BA/ADP substantially delayed the time to ignition from 10 to 385 s and reduced the total heat release and total smoke release by 58.75%and 77.31%,*** of the pyrolysis process showed that the decomposition products of BA and ADP protected the underlying furfurylated wood and diluted combustible *** method significantly improved the fire retardancy and smokeless properties of furfurylated wood,providing promising prospects for its application as an engineering material.

关键词： Poplar wood furfuryl alcohol furfurylated wood flame retardancy boric acid ammonium dihydrogen phosphate

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Beyond surgery:Overcoming postoperative depression in cancer patients

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World Journal of Psychiatry 2024年第7期14卷 1140-1142页

作者： Shao-ming Song Xiao Wang Hong-Mei yue Rong Liu The First School of Clinical Medicine Lanzhou UniversityLanzhou 730000Gansu ProvinceChina Faculty of Hepato-pancreato-biliary Surgery The First Medical Center of PLA General HospitalBeijing 100853China

Depression is a common occurrence among cancer patients,and it significantly impacts their clinical outcomes and quality of life,with a high incidence during anti-tumor treatment or after *** association between surgery and depression is the result of the interaction of various factors,including physio-logical,psychological,and social factors,all of which are intertwined and make patients susceptible to depression after surgical *** depression has a significant negative impact on many aspects of cancer patients,and it requires timely identification and intervention to improve the overall outcome.

关键词： Depression Surgery Tumor Anti-tumor therapy

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