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Density-Functional Theories for Polyelectrolyte Systems

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Chinese Journal of Polymer Science 2024年第9期42卷 1302-1312,I0006页

作者： Jia-wei Zhang Yu-Hang Zhang Bao-hui Li Qiang Wang School of Physics Nankai UniversityTianjin90001China Department of Chemical and Biological Engineering Colorado State University1370 Campus DeliveryFort CollinsCO80523-1370USA

Polymer density-functional theories(PDFTs)have distinct advantages in the study of polyelectrolyte(PE)systems over experiments and molecular *** we give an introductory review of some PDFTs recently developed for PE *** start with a general formalism of PDFTs and its relation to the widely used polymer self-consistent field theory(SCFT),then explain the various correlations that are neglected in SCFT but can be accounted for in PDFTs,including those due to the excluded-volume interaction and chain connectivity of uncharged polymers,the electrostatic correlations of small ions,and the chain correlations in *** also list some applications of PDFTs for PE systems,and finally give some perspectives on future *** hope that our review can attract more researchers to apply and further develop PDFTs as a promising class of theoretical and computational tools.

关键词： Polymer density-functional theories Polyelectrolytes Correlations

Circulating glycated albumin levels and gestational diabetes mellitus

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World Journal of Diabetes 2024年第8期15卷 1802-1810页

作者： wei Xiong Zhao-hui Zeng Yuan Xu hui Li hui Lin Department of Medical Hunan Traditional Chinese Medical CollegeZhuzhou 412012Hunan ProvinceChina Department of Outpatient Zhuzhou Second HospitalZhuzhou 412012Hunan ProvinceChina

BACKGROUND Gestational diabetes mellitus(GDM)is characterized by glucose intolerance that is first diagnosed during pregnancy,making it the most common complication associated with this *** detection and targeted treatment of GDM can minimize foetal exposure to maternal hyperglycaemia and subsequently reduce the associated adverse pregnancy *** studies have inconsistently suggested that the level of glycated albumin(GA)might predict *** To review and synthesize existing evidence to evaluate the relationship between GA levels and the development of *** We sought to compare GA levels between GDM and control groups in this metaanalysis by systematically searching the Web of Science,PubMed,Cochrane Library,and Embase databases for articles published up to June *** analysis utilized the weighted mean difference(WMD)as the primary *** data were meticulously extracted,and the quality of the included studies was ***,we conducted a subgroup analysis based on study region and sample *** assessed heterogeneity using I2 statistics and evaluated publication bias through funnel ***,trim-and-fill analysis was employed to detect and address any potential publication *** The meta-analysis included a total of 11 studies involving 5477 participants,comprising 1900 patients with GDM and 3577 control *** synthesized results revealed a notable correlation between elevated GA levels and increased susceptibility to *** calculated WMD was 0.42,with a 95%confidence interval(95%CI)ranging from 0.11 to 0.74,yielding a P value less than *** specific GA levels,the mean GA level in the GDM group was 12.6,while for the control group,it was lower,at *** discrepancy underscores the potential of GA as a biomarker for assessing GDM ***,we explored the levels of glycated haemoglobin(HbA1c)in both *** WMD for HbA1c was 0.19,with a 95%CI ranging from 0.15 to 0.

关键词： Glycated albumin Gestational diabetes mellitus Diabetes mellitus Meta-analysis weighted mean difference

Lipid nanovehicles overcome barriers to systemic RNA delivery: Lipid components, fabrication methods, and rational design

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Acta Pharmaceutica Sinica B 2024年第2期14卷 579-601页

作者： Jing yan Hao Zhang Guangfeng Li Jiacan Su yan wei Can Xu Institute of Translational Medicine Shanghai UniversityShanghai 200444China Institute of Medicine Shanghai UniversityShanghai 200444China Department of Orthopedics Xinhua HospitalShanghai Jiao Tong University School of MedicineShanghai 200092China Department of Orthopedics Shanghai Zhongye HospitalShanghai 200941China Organoid Research Center Shanghai UniversityShanghai 200444China Department of Gastroenterology Changhai HospitalShanghai 200433China

Lipid nanovehicles are currently the most advanced vehicles used for RNA delivery,as demonstrated by the approval of patisiran for amyloidosis therapy in *** illuminate the unique superiority of lipid nanovehicles in RNA delivery,in this review,we first introduce various RNA therapeutics,describe systemic delivery barriers,and explain the lipid components and methods used for lipid nanovehicle ***,we emphasize crucial advances in lipid nanovehicle design for overcoming barriers to systemic RNA ***,the current status and challenges of lipid nanovehicle-based RNA therapeutics in clinical applications are also *** objective is to provide a comprehensive overview showing how to utilize lipid nanovehicles to overcome multiple barriers to systemic RNA delivery,inspiring the development of more high-performance RNA lipid nanovesicles in the future.

关键词： Lipid nanovehicles RNAtherapeutics Barriers to systemicRNA delivery Lipid components Fabricationmethods Lipid nanovehicledesign Extrahepatictissue targeting Organ tropism

Rotating Massive Strangeon Stars and X-Ray Plateau of Short GRBs

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Research in Astronomy and Astrophysics 2024年第3期24卷 47-57页

作者： Xi-yan yang Xiao-Yu Lai wei-wei Tan Ren-Xin Xu School of Physics and Optoelectronic Engineering Yangtze UniversityJingzhou 434023China Research Center for Astronomy Hubei University of EducationWuhan 4300205China Key Laboratory of Quark and Lepton Physics Central China Normal UniversityMinistry of EducationWuhan 430079China School of Physics Peking UniversityBeijing 100871China Kavli Institute for Astronomy and Astrophysics Peking UniversityBeijing 100871China

Strangeon stars,which are proposed to describe the nature of pulsar-like compact stars,have passed various observational *** maximum mass of a non-rotating strangeon star could be high,which implies that the remnants of binary strangeon star mergers could even be long-lived massive strangeon *** study rigidly rotating strangeon stars in the slowly rotating approximation,using the Lennard-Jones model for the equation of *** can significantly increase the maximum mass of strangeon stars with unchanged baryon numbers,enlarging the mass-range of long-lived strangeon *** spin-down after merger,the decrease of radius of the remnant will lead to the release of gravitational *** into account the efficiency of converting the gravitational energy luminosity to the observed X-ray luminosity,we find that the gravitational energy could provide an alternative energy source for the plateau emission of X-ray *** fitting results of X-ray plateau emission of some short gamma-ray bursts suggest that the magnetic dipole field strength of the remnants can be much smaller than that of expected when the plateau emission is powered only by spin-down luminosity of magnetars.

关键词： dense matter-(stars) pulsars general-(stars) gamma-ray burst general

Preheating-assisted solid-state friction stir repair of Al-Mg-Si alloy plate at different rotational speeds

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International Journal of Minerals,Metallurgy and Materials 2024年第4期31卷 725-736页

作者： hui Wang Yidi Li Ming Zhang wei Gong Ruilin Lai Yunping Li State Key Laboratory of Powder Metallurgy Central South UniversityChangsha 410083China Research Institute of Light Alloy Central South UniversityChangsha 410083China

Additive friction stir deposition(AFSD)is a novel structural repair and manufacturing technology has become a research hotspot at home and abroad in the past five *** this work,the microstructural evolution and mechanical performance of the Al-Mg-Si alloy plate repaired by the preheating-assisted AFSD process were *** evaluate the tool rotation speed and substrate preheating for repair quality,the AFSD technique was used to additively repair 5 mm depth blind holes on 6061 aluminum alloy *** results showed that preheat-assisted AFSD repair significantly improved joint bonding and joint strength compared to the control non-preheat substrate ***,increasing rotation speed was also beneficial to improve the metallurgical bonding of the interface and avoid volume *** preheating conditions,the UTS and elongation were positively correlated with rotation *** the process parameters of preheated substrate and tool rotation speed of 1000 r/min,defect-free specimens could be obtained accompanied by tensile fracture occurring in the substrate rather than the repaired *** UTS and elongation reached the maximum values of 164.2MPa and 13.4%,which are equivalent to 99.4%and 140%of the heated substrate,respectively.

关键词： additive friction stir deposition structural repair tool rotation speed Al alloy

Chain Dynamics Heterogeneity in Plasticized Poly(vinyl butyral)(PVB) as Elucidated by Solid-State NMR

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Chinese Journal of Polymer Science 2024年第1期42卷 113-124,I0010页

作者： Jing Lv Xu Chen Zi-Shuo Wu Ya-hui Li wei Chen National Synchrotron Radiation Laboratory Anhui Provincial Engineering Laboratory of Advanced Functional Polymer FilmCAS Key Laboratory of Soft Matter ChemistryUniversity of Scienceand Technology of ChinaHefei 230026China

The chain dynamics heterogeneity of the poly(vinyl butyral)(PVB) plasticized by triethylene glycol bis(2-ethylhexa noate)(TEG-EH) was investigated by various solid-state NMR *** plasticized PVB shows two domains in distinct molecular dynamics differences,namely,rigid and soft domains,where the latter is the plasticizer-rich *** time domain low field NMR was first used to investigate the dynamics heterogeneity of the plasticized PVB,and the results show the decreasing activated energy of components in the soft domain of plasticized PVB(E_a=20.2 kJ/mol) as compared with that of the pristine one(E_a=24.3 kJ/mol).Detailed dynamics heterogeneity was obtained by high-field NMR with site-specific *** quadrupole-echo ~2H-NMR was adopted to elucidate the dynamics heterogeneity of the vinyl alcohol(VA) units,where only the hydroxyl group of VA is *** ~1H-^(13)C WISE NMR spectra show that there is not much difference in the mobility of the VB unit in PVB with and without plasticizer,whereas the glass transition temperature differed by approximately 53℃.This is further supported by Torchia's T_1 relaxation *** origin of such an unusual phenomenon is attributed to the critical role of the remaining VA(~22%) in the soft domain,where the VA units locally aggregate through hydrogen ***,the existence of a mobility gradient in the VB unit has been ***,the mobility difference for VB with different stereo-geometry(meso or racemic conformation) is observed for the first *** indicates the importance of modulating the ratio of meso over racemic VB for controlling the macroscopic perfo rmance of PVB.

关键词： Poly(vinyl butyral) Dynamics heterogeneity Plasticizer Solid state NMR

Heterogeneous information phase space reconstruction and stability prediction of filling body–surrounding rock combination

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International Journal of Minerals,Metallurgy and Materials 2024年第7期31卷 1500-1511页

作者： Dapeng Chen Shenghua Yin weiguo Long Rongfu yan Yufei Zhang Zepeng yan Leiming Wang wei Chen School of Civil and Resources Engineering University of Science and Technology of BeijingBeijing 100083China Production Technology Department Longshou MineJinchuan Group Co.Ltd.Jinchang 737100China School of Civil Engineering and Architecture East China Jiaotong UniversityNanchang 330013China

Traditional research believes that the filling body can effectively control stress concentration while ignoring the problems of unknown stability and the complex and changeable stress distribution of the filling body–surrounding rock combination under high-stress *** monitoring data processing methods cannot fully consider the complexity of monitoring objects,the diversity of monitoring methods,and the dynamics of monitoring *** solve this problem,this paper proposes a phase space reconstruction and stability prediction method to process heterogeneous information of backfill–surrounding rock *** three-dimensional monitoring system of a large-area filling body–surrounding rock combination in Longshou Mine was constructed by using drilling stress,multipoint displacement meter,and *** information,such as the stress and displacement of the filling body–surrounding rock combination,was continuously *** with the average mutual information method and the false nearest neighbor point method,the phase space of the heterogeneous information of the filling body–surrounding rock combination was then *** this paper,the distance between the phase point and its nearest point was used as the index evaluation distance to evaluate the stability of the filling body–surrounding rock *** evaluated distances(ED)revealed a high sensitivity to the stability of the filling body–surrounding rock *** new method was then applied to calculate the time series of historically ED for 12 measuring points located at Longshou *** moments of mutation in these time series were at least 3 months ahead of the roadway return *** the ED prediction experiments,the autoregressive integrated moving average model showed a higher prediction accuracy than the deep learning models(long short-term memory and Transformer).Furthermore,the root-mean-square error distribution of the prediction results peaked at 0

关键词： deep mining filling body–surrounding rock combination phase space reconstruction multiple time series stability prediction

Low-cycle fatigue behavior of solutionized and aged WE43 magnesium alloys at room temperature

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Journal of Magnesium and Alloys 2024年第6期12卷 2284-2297页

作者： Yong Cai Jianxiong wei Hong yan Yipeng Chen Rongshi Chen School of Materials Science and Engineering University of Science and Technology of China72 Wenhua RoadShenyang 110016China Shi-changxu Innovation Center for Advanced Materials Institute of Metal ResearchChinese Academy of Sciences72 Wenhua RoadShenyang 110016China School of Materials Science and Engineering Shandong University of Science and TechnologyQingdaoShandong 266590China

The low-cycle fatigue behavior of solutionized(T4)and aged(T6)WE43 magnesium alloys was studied at room *** total strain amplitudes(△ε_(t)/2)were 0.4%,0.5%,0.6%,0.7%and 1.0%.Detailed microstructure evolution was characterized by scanning electron microscope(SEM),electron backscattered diffraction(EBSD)and transmission electron microscopy(TEM).The results showed that plastic strain amplitude decreased with the increasing cycle number in T4 alloy,which is due to the dense persistent slip bands(PSBs)and dynamic precipitates hinderingdislocation *** contrast,the plastic strain amplitude increases gradually in T6 alloy,which is attributed to the enhanced activation of pyramidal *** low-cycle fatigue life of T6 alloy with larger fatigue ductility coefficient is longer than that of T4 *** Coffin-Manson model can accurately predict the fatigue life of T4 and T6 alloys compared to Jahed-Varvani(JV)energy *** T4 alloy,the fatigue damage mechanism was dominated by basal *** T6 alloy,the enhanced pyramidal slip plays an important role to accommodate plastic deformation.

关键词： Low-cycle fatigue WE43 alloy Cyclic hardening/softening JV model Dislocation

A Real-time Prediction System for Molecular-level Information of Heavy Oil Based on Machine Learning

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China Petroleum Processing & Petrochemical Technology 2024年第2期26卷 121-134页

作者： Yuan Zhuang Wang Yuan Zhang Zhibo Yuan Yibo yang Zhe Xu wei Lin yang yan Hao Zhou Xin Zhao hui yang Chaohe State Key Laboratory of Chemical Safety SINOPEC Research Institute of Safety Engineering Co.LtdQingdaoShandong 266000People’s Republic of China State Key Laboratory of Heavy Oil Processing China University of PetroleumQingdaoShandong 266580People’s Republic of China College of Chemistry and Chemical Engineering Ocean University of ChinaQingdaoShandong 266100People’s Republic of China

Acquiring accurate molecular-level information about petroleum is crucial for refining and chemical enterprises to implement the“selection of the optimal processing route”*** the development of data prediction systems represented by machine learning,it has become possible for real-time prediction systems of petroleum fraction molecular information to replace analyses such as gas chromatography and mass ***,the biggest difficulty lies in acquiring the data required for training the neural *** address these issues,this work proposes an innovative method that utilizes the Aspen HYSYS and full two-dimensional gas chromatography-time-of-flight mass spectrometry to establish a comprehensive training ***,a deep neural network prediction model is developed for heavy distillate oil to predict its composition in terms of molecular *** training,the model accurately predicts the molecular composition of catalytically cracked raw oil in a *** validation and test sets exhibit R2 values of 0.99769 and 0.99807,respectively,and the average relative error of molecular composition prediction for raw materials of the catalytic cracking unit is less than 7%.Finally,the SHAP(SHapley Additive ExPlanation)interpretation method is used to disclose the relationship among different variables by performing global and local weight comparisons and correlation analyses.

关键词： heavy distillate oil molecular composition deep learning SHAP interpretation method