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Automated Identification of Ordered Phases for Simulation Studies of Block Copolymers

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Chinese Journal of Polymer Science 2024年第5期42卷 683-692,I0011页

作者： Yu-Chen Zhang wei-ling Huang Yi-xin Liu State Key Laboratory of Molecule Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai200433China

In unit cell simulations,identification of ordered phases in block copolymers(BCPs)is a tedious and time-consuming task,impeding the advancement of more streamlined and potentially automated research *** this study,we propose a scattering-based automated identification strategy(SAIS)for characterization and identification of ordered phases of BCPs based on their computed scattering *** approach leverages the scattering theory of perfect crystals to efficiently compute the scattering patterns of periodic morphologies in a unit *** the first stage of the SAIS,phases are identified by comparing reflection conditions at a sequence of Miller *** confirm or refine the identification results of the first stage,the second stage of the SAIS introduces a tailored residual between the test phase and each of the known candidate ***,our strategy incorporates a variance-like criterion to distinguish background species,enabling its extension to multi-species BCP *** has been demonstrated that our strategy achieves exceptional accuracy and robustness while requiring minimal computational ***,the approach allows for real-time expansion and improvement to the candidate phase library,facilitating the development of automated research workflows for designing specific ordered structures and discovering new ordered phases in BCPs.

关键词： Block copolymer Phase identification Scattering function

A low-frequency and broadband wave-insulating vibration isolator based on plate-shaped metastructures

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Applied Mathematics and Mechanics(English Edition) 2024年第7期45卷 1171-1188页

作者： wei wei Feng GUAN xin FANG College of Intelligent Science National University of Defense TechnologyChangsha410073China Naval Research Academy Beijing100161China

A metamaterial vibration isolator,termed as wave-insulating isolator,is proposed,which preserves enough load-bearing capability and offers ultra-low and broad bandgaps for greatly enhanced wave *** consists of plate-shaped metacells,whose symmetric and antisymmetric local resonant modes offer several low and broad mode bandgaps although the complete bandgap remains high and *** bandgap mechanisms,vibration isolation properties,effects of key parameters,and robustness to complex conditions are *** experimentally demonstrated,the wave-insulating isolator can improve the vibration insulation in the ranges of[50 Hz,180 Hz]and[260 Hz,400 Hz]by 15 dB and 25 dB,respectively,in contrast to the conventional isolator with the same first resonant frequency.

关键词： metamaterial and metastructure vibration isolation bandgap wave insulation plate

A reweighted damped singular spectrum analysis method for robust seismic noise suppression

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Petroleum Science 2024年第3期21卷 1671-1682页

作者： wei-lin Huang Yan-xin Zhou Yang Zhou wei-Jie Liu Ji-Dong Li State Key Laboratory of Petroleum Resources and Engineering China University of Petroleum(Beijing)Beijing2249China SINOPEC Petroleum Exploration and Production Research Institute Beijing102206China SINOPEC Geophysical Research Institute Nanjing211103jiangsuChina

(Multichannel)Singular spectrum analysis is considered as one of the most effective methods for seismic incoherent noise *** utilizes the low-rank feature of seismic signal and regards the noise suppression as a low-rank reconstruction ***,in some cases the seismic geophones receive some erratic disturbances and the amplitudes are dramatically larger than other *** presence of this kind of noise,called erratic noise,makes singular spectrum analysis(SSA)reconstruction unstable and has undesirable effects on the final *** robustify the low-rank reconstruction of seismic data by a reweighted damped SSA(RD-SSA)*** incorporates the damped SSA,an improved version of SSA,into a reweighted *** damping operator is used to weaken the artificial disturbance introduced by the low-rank projection of both erratic and random *** central idea of the RD-SSA method is to iteratively approximate the observed data with the quadratic norm for the first iteration and the Tukeys bisquare norm for the rest *** RD-SSA method can suppress seismic incoherent noise and keep the reconstruction process robust to the erratic *** feasibility of RD-SSA is validated via both synthetic and field data examples.

关键词： Singular spectrum analysis Damping operator Seismic erratic noise Seismic signal processing Robust low-rank reconstruction

Numerical Analysis of Heat Transfer Characteristics to Supercritical CO_(2) in a Vertical Mini-Channel:Transition and Pseudo-Boiling

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Journal of Thermal Science 2024年第1期33卷 101-113页

作者： YUAN Baoqiang wang wei xin Gongming DU Wenjing School of Energy and Power Engineering Shandong UniversityJi'nan 250061China

Large eddy simulations have been conducted to study upward transitional flows and heat transfer characteristics of supercritical CO_(2) in a vertical *** numerical simulation was carried out on a modified buoyantPimpleFOAM solver in OpenFOAM 7,and was verified using experiment *** results indicate that increasing the Grashof numbers can reduce the flow stability and make the flow transition *** are four stages of heat transfer in the transition process,i.e.,weakened,improved,recovered and normal heat *** heat transfer phenomena in the transition process were explained from three perspectives:thermal boundary layer theory,turbulent transport and pseudo-boiling *** transfer enhancement during transition is related to the transport of supercritical molecular clusters,and these molecular clusters are regarded as pseudo-bubbles in pseudo-boiling *** flow pattern of the pseudo-phases in the dia-Widom process contains single-phase flow,steady pseudo-film flow,unsteady pseudo-film flow,partial pseudo-bubbles flow and flocculent pseudo-film ***-bubbles have similar behaviors to subcritical bubbles,i.e.,break-up,deformation,condensation and *** researches in this work are favorable for understanding the heat transfer mechanism of supercritical fluids during flow transition.

关键词： supercritical heat transfer large eddy simulation transition pseudo-boiling

π-conjugated chromophore functionalized high-nuclearity titanium-oxo clusters containing structural unit of anatase for photocatalytic selective oxidation of sulfides

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Rare Metals 2024年第4期43卷 1736-1746页

作者： ling-Rong Liao Dong-chun Zheng Pin-Xi Ou Qi-xin Zhao wei-Min Xuan Qi Zheng State Key Laboratory for Modification of Chemical Fibers and Polymer Materials&College of Materials Science and Engineering Donghua UniversityShanghai201620China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials and College of Chemistry and Chemical Engineering Donghua UniversityShanghai 201620China

N-doping has significant influence in manipulating the properties of TiO_(2),and this has stimulated the development of N-donor-functionalized titanium-oxo clusters(TOCs)as molecular models to study the structure-property ***,the structural type and photoresponsive application are still limited for such TOCs,especially regarding the high-nuclearity TOCs that contain structure unit of TiO_(2)for ***,we showed the synthesis of a series of high-nuclearity TOCs 1-3 compounds usingπ-conjugated 1,10-phenanthroline(phen)as chromophore and N-donor functional *** 1 features cocrystal structure composed of one[Ti_(26)]~(2+)and half[Ti_(22)]~(2+),which renders it as the first cocrystallized TOC containing two positively charged species and phen-functionalized TOC showing the highest nuclearity up to 37 Ti *** adjusting the synthetic conditions,the individual{Ti_(22)}and{Ti_(26)}clusters can also be isolated as Compounds 2 and 3,*** core structure of{Ti_(22)}is mainly constructed from four lacunary{Ti_(4)}derived from pentagonal{Ti(Ti)_5}unit,while{Ti_(26)}is built from four complete{Ti(Ti)_5}***,a{Ti_8O_(14)}structure unit of anatase TiO_(2)can be identified in{Ti_(26)}.Based on the unique structural features and proper photophysical and photochemical properties of Compounds 1-3,they are applied for photocatalytic *** to the presence of anatase structure unit in{Ti_(26)}and the synergistic effect from{Ti_(22)}and{Ti_(26)},the catalytic performance presents in the order of Compound 1>Compound 3>Compound *** work provides excellent models to understand the structureproperty relationship from the perspective of cocrystallization and Ti-O binding model and will further promote the application of TOCs as functional catalysts for organic transformation.

关键词： Titanium-oxo cluster Molecular model of anatase TiO_(2) High nuclearity π-conjugated chromophore Photocatalytic sulfoxidation

Correlation between the neuroendocrine axis,microbial species,inflammatory response,and gastrointestinal symptoms in irritable bowel syndrome

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World Journal of Gastroenterology 2024年第35期30卷 3985-3995页

作者： xin Zhang wei-wei Jin Hong-Gang wang Department of Gastroenterology Tongde Hospital of Zhejiang ProvinceTaizhou 524333Zhejiang ProvinceChina Department of Nutrition Tongde Hospital of Zhejiang ProvinceTaizhou 524333Zhejiang ProvinceChina Department of Gastroenterology Taizhou Municipal HospitalTaizhou 524333Zhejiang ProvinceChina

BACKGROUND This study examines the complex relationships among the neuroendocrine axis,gut microbiome,inflammatory responses,and gastrointestinal symptoms in patients with irritable bowel syndrome(IBS).The findings provide new insights into the pathophysiology of IBS and suggest potential therapeutic targets for improving patient *** To investigate the interactions between the neuroendocrine axis,gut microbiome,inflammation,and gastrointestinal symptoms in patients with *** Patients diagnosed with IBS between January 2022 and January 2023 were selected for the *** individuals undergoing routine check-ups during the same period served as the control *** were collected on neuroendocrine hormone levels,gut microbiome profiles,inflammatory biomarkers,and gastrointestinal symptomatology to analyze their interrelations and their potential roles in IBS *** IBS patients exhibited significant dysregulation of the neuroendocrine axis,with altered levels of cortisol,serotonin,and neuropeptides compared to healthy *** gut microbiome of IBS patients showed reduced diversity and specific alterations in bacterial genera,including Bifidobacterium,Lactobacillus,and Faecalibacterium,which were associated with neuroendocrine ***,elevated levels of inflammatory markers,such as C-reactive protein,interleukin-6,and tumor necrosis factor-α,were observed and correlated with the severity of gastrointestinal symptoms like abdominal pain,bloating,and altered bowel *** The findings suggest that targeting the neuroendocrine axis,gut microbiome,and inflammatory pathways may offer novel therapeutic strategies to alleviate symptoms and improve the quality of life in IBS patients.

关键词： Gastrointestinal symptoms Inflammatory response Intestinal microbiota Irritable bowel syndrome Neuroendocrine axis Relationship study

Preparation and Swelling Kinetic Analysis of Poly (HPMC-co-AA-co-AM) Super Absorbent Resin

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Journal of Wuhan University of Technology(Materials Science) 2024年第3期39卷 790-799页

作者：马砺 wang xin LIU Xixi wei Gaoming GUO Ying School of Safety Science and Engineering Xi’an University of Science and TechnologyXi'an 710054China Key Laboratory of Coal Fire Disaster Prevention Xi’an University of Science and TechnologyXi'an 710054China School of Energy Engineering Xi’an Uni-versity of Science and TechnologyXi'an 710054China Yanzhou Coal Mining Co. Ltd.Zoucheng 237500China

Super absorbent resin(SAR)is prepared by aqueous high temperature polymerization using hydroxypropyl methylcellulose(HPMC)as monomer backbone material,acrylic acid(AA)and acrylamide(AM)as the graft copolymer monomer,potassium persulfate(KPS)as the initiator to generate free radicals,and N,N`-methylenebisacrylamide(MBA)as cross-linking agent for cross-linking ***,the influence of individual factors on the water absorption is investigated,and these factors are mainly AA,AM,KPS,MBA,HPMC,and reaction *** optimized conditions are obtained by the experiment repeating for several *** water absorption multiplicity and salt absorption multiplicity under the conditions are 782.4 and 132.5 g/g,***,the effects of different temperatures and salt concentrations on its water absorption,as well as the swelling kinetics of SAR are *** is indicated the water-absorbing swelling process is mainly caused by the difference in water osmotic pressure and Na+concentration inside and outside the cross-linked molecular structure of the resin,which is not only consistent with the quasi-secondary kinetic model,but also with the Fick diffusion model.

关键词： super absorbent resin swelling kinetics water absorption graft copolymerization hydroxypropyl methyl cellulose

Constructing S-scheme charge separation in cobalt phthalocyanine/oxygen-doped g-C_(3)N_(4) heterojunction with enhanced photothermal-assisted photocatalytic H_(2) evolution

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Rare Metals 2024年第1期43卷 198-211页

作者： wei-Long Shi Zheng Xu Yu-xing Shi ling-ling Li Jia-lin Lu xin-Hai Sun xin Du Feng Guo Chang-Yu Lu School of Material Science and Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China School of Energy and Power Jiangsu University of Science and TechnologyZhenjiang 212003JiangsuChina College of Chemistry Zhengzhou UniversityZhengzhou 450001China School of Water Resource and Environment Hebei Province Key Laboratory of Sustained Utilization and Development of Water RecourseHebei Center for Ecological and Environmental Geology ResearchHebei Geo UniversityShijiazhuang 050031China

Hydrogen acquisition from solar energy is an effective way to address energy crisis,which makes the development of efficient photocatalysts become the main direction of scientific ***,cobalt phthalocyanine/oxygen-doped g-C_(3)N_(4)(CoPc/OCN) S-scheme heterojunction photocatalyst was designed by coupling multi-step calcination with solvothermal method for enhanced photothermal-assisted photocatalytic H_(2) *** multistep calcined g-C_(3)N_(4) is easier for O-doping formation,and the ethanol solvothermal strategy is utilized to enhance the dispersion of CoPc on OCN nano sheet surface and forms sufficient S-scheme heterojunction through *** addition,the active sites and excellent photothermal properties of CoPc itself further improve the integrated photocatalytic activity of CoPc/OCN S-scheme *** optimal photocatalytic hydrogen evolution rate of CoPc/OCN S-scheme heterojunction photocatalyst reached 9.56 mmol·g^(-1)·h^(-1),which is 2.69 and 1.23 times higher than that of CN and OCN,*** work provides a valuable design idea and scheme for enhancing the multi-factor co-assisted photocatalytic H_(2) evolution performance.

关键词： Photothermal Photocatalytic H_(2)evolution Cobalt phthalocyanine Oxygen-doped g-C_(3)N_(4) Sscheme heterojunction

Relationship of Retinal Nerve Fiber Layer Thickness and Retinal Vessel Calibers with Cognitive Impairment in the Asymptomatic Polyvascular Abnormalities Population

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Biomedical and Environmental Sciences 2024年第2期37卷 196-203页

作者： wang Dan Dan wang An xin ZHANG Xiao Li wei Wen Bin WU Shou ling ZHAO xing Quan Department of Neurology Beijing Tiantan HospitalCapital Medical UniversityBeijing 100070China China National Clinical Research Center for Neurological Diseases Beijing 100070China Beijing Tongren Eye Center Beijing Key Laboratory of Ophthalmology and Visual ScienceBeijing Tongren HospitalCapital Medical UniversityBeijing 100005China Department of Cardiology Kailuan HospitalTangshan 063001HebeiChina

Objective Cognitive impairment(CI)in older individuals has a high morbidity rate worldwide,with poor diagnostic methods and susceptible population *** study aimed to investigate the relationship between different retinal metrics and CI in a particular population,emphasizing polyvascular *** We collected information from the Asymptomatic Polyvascular Abnormalities Community Study on retinal vessel calibers,retinal nerve fiber layer(RNFL)thickness,and cognitive function of 3,785participants,aged 40 years or *** regression was used to analyze the relationship between retinal metrics and cognitive *** stratified by different vascular statuses were also *** RNFL thickness was significantly thinner in the CI group(odds ratio:0.973,95%confidence interval:0.953–0.994).In the subgroup analysis,the difference still existed in the non-intracranial arterial stenosis,non-extracranial carotid arterial stenosis,and peripheral arterial disease subgroups(P<0.05).Conclusion A thin RNFL is associated with CI,especially in people with non-large vessel *** underlying small vessel change in RNFL and CI should be investigated in the future.

关键词： Retinal nerve fiber layer Cognitive impairment Polyvascular abnormality