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Broadening environmental research in the era of accurate protein structure determination and predictions

Frontiers of Environmental Science & Engineering 2024年第7期18卷 169-178页

作者： Mingda Zhou Tong wang Ke Xu Han wang Zibin Li wei-xian Zhang Yayi wang State Key Laboratory of Pollution Control and Resources Reuse Shanghai Institute of Pollution Control and Ecological SecurityCollege of Environmental Science and EngineeringTongji UniversityShanghai 200092China Translational Research Institute of Brain and Brain-Like Intelligence Shanghai Fourth People's HospitalSchool of MedicineTongji UniversityShanghai 200434China

The deep-learning protein structure prediction method AlphaFold2 has garnered enormous attention beyond the realm of structural biology,for its groundbreaking contribution to solving the"protein foiding problem"In this perspective,we explore the connection between protein structure studies and environmental research,delving into the potential for addressing specific environmental *** are promising for environmental applications because of the functional diversity endowed by their structural ***,structural studies on proteins with environmental significance remain ***,we present the opportunity to study proteins by advancing experimental determination and deep-learning prediction ***,the latest progress in environmental research via cryogenic electron microscopy is *** allows us to determine the structure of protein complexes in their native state within cells at molecular resolution,revealing environmentally-associated structural *** the remarkable advancements in computational power and experimental resolution,the study of protein structure and dynamics has reached unprecedented depth and *** advancements will undoubtedly accelerate the establishment of comprehensive environmental protein structural and functional *** opportunities for protein engineering exist to enable innovative solutions for environmental applications,such as the degradation of persistent contaminants,and the recovery of valuable metals as well as rare earth elements.

关键词： Environmental proteins Protein structure Cryogenic electron microscopy Protein structure prediction Protein engineering Artificial Intelligence

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Observer-based robust high-order fully actuated attitude autopilot design for spinning glide-guided projectiles

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Defence Technology（防务技术） 2024年第4期34卷 282-294页

作者： wei wang Yuchen wang Shiwei Chen Yongcang Guo Zhongjiao Shi School of Aerospace Engineering Beijing Institute of TechnologyBeijing 10081China Northwest Industries Group CO. Ltd.Xi'an 710043China

This paper investigates the design of an attitude autopilot for a dual-channel controlled spinning glideguided projectile(SGGP),addressing model uncertainties and external *** on fixed-time stable theory,a disturbance observer with integral sliding mode and adaptive techniques is proposed to mitigate total disturbance effects,irrespective of initial *** introducing an error integral signal,the dynamics of the SGGP are transformed into two separate second-order fully actuated ***,employing the high-order fully actuated approach and a parametric approach,the nonlinear dynamics of the SGGP are recast into a constant linear closed-loop system,ensuring that the projectile's attitude asymptotically tracks the given goal with the desired *** the proposed composite control framework,the ultimately uniformly bounded stability of the closed-loop system is rigorously demonstrated via the Lyapunov *** of the effectiveness of the proposed attitude autopilot design is provided through extensive numerical simulations.

关键词： Spinning glide-guided projectile Attitude control Sliding mode disturbance observer Fixed-time stable theory High-order fully actuated approach

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Numerical Analysis on Charging Performance of the Macro-Encapsulating Combined Sensible-Latent Heat Storage System with Structural Parameters

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Journal of Thermal Science 2024年第3期33卷 1026-1036页

作者： wang wei PAN Zhenfei wang Jingfu WU Yuting MA Chongfang Key Laboratory of Enhanced Heat Transfer and Energy Conservation Ministry of EducationCollege of Energy and Power EngineeringBeijing University of TechnologyBeijing100124China Key Laboratory of Heat Transfer and Energy Conversion Beijing MunicipalityCollege of Energy and Power EngineeringBeijing University of TechnologyBeijing100124China

For combined sensible-latent heat storage system(CSLHS)(termed as the hybrid configuration),macro encapsulation can effectively solve the leakage problem of ***,due to the poor thermal conductivity of PCMs,the charging performance of the hybrid configuration slightly increases compared to the solid structure(with only sensible materials).Meanwhile,the natural convection in the PCMs zone could improve the charging ***,how to improve natural convection intensity is a key issue for the CSLHS by macro *** is found that adding fins can significantly enhance natural convection and accelerate the melting of *** this paper,we proposed the hybrid configuration with fins built-in by macro encapsulation,and analyzed its charging performance with different fin structural parameters in the PCM zone by CFD *** the case,the sensible heat storage material is high-temperature concrete and the PCM is a low-melting-point mixed molten *** analyzed the effects of fin number,fin length and fin thickness on the charging performance of the hybrid configuration *** the result,the charging performance increases with the fin number,but the increase rate gradually *** the fin number is 6,the charging performance increases by 20.18%compared to the situation without *** charging performance increases gradually with the fin *** with the hybrid configuration without fin,for each 10 mm increase in fin length,its charging performances increase by 4.09%,5.26%,7.02%,8.77%,11.70%,and 15.79%,*** from number and length of fins,the effect of thickness on the charging performance is very *** the fin thickness increased from 1 mm to 4 mm,the charging performance only increased by 2.3%.It indicates that the main reason for the improving the charging performance is to increase the natural convection intensity by dividing the PCM zone through *** results show that the charging performance

关键词： macro-encapsulation hybrid configuration natural convection structural parameter charging performance

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Insight into the Role of Isolated Gold Atoms-Ceria Conjunction in Catalyzing the Water-Gas Shift Reaction

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Chinese Journal of Chemistry 2024年第6期42卷 636-644页

作者： Xin-Pu Fu Hui-Zhao wei-wei wang Chun-Jiang Jia Key Laboratory for Colloid and Interface Chemistry Key Laboratory of Special Aggregated MaterialsSchool of Chemistry and Chemical EngineeringShandong UniversityJinanShandong250100 China

As the promising catalysts for the water-gas shift(WGS)reaction,the activity of Au-CeO_(2) composites is susceptible to the aggregation size and electronic state of Au *** reports were extensively focused on the discrepancy between nonmetallic Au and metallic Au nanoparticles,whereas the understanding of the authentic role of the isolated Au atoms was ***,we investigated the catalytic behavior and structural information over two types of Au/CeO_(2) catalysts,in which the predominant conjunctions were isolated Au1-CeO_(2) and Aun-CeO_(2),*** on comprehensive characterizations,particularly by in-situ Raman and in-situ DRIFTS,we found that the isolated Au atoms were responsible for enhancing the reducibility of the CeO_(2) *** CO adsorption ability on the isolated Au sites was significantly inferior to clustered Au atoms,especially at relatively high temperatures(>200°C).As a result,the boosted O vacancy on the isolated Au1-CeO_(2) conjunctions could improve the H2O activation ability for the Au-CeO_(2) catalysts and demonstrate a comparable activity to the clustered Aun-CeO_(2) *** work might deepen understanding of the catalytic function for the isolated Au1 site within Au/CeO_(2) systems while catalyzing the WGS reaction.

关键词： Isolated Au atoms Ceria-based catalysts Water-gas shift reaction Defect Adsorption

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Repeated inoculation with rumen fluid accelerates the rumen bacterial transition with no benefit on production performance in postpartum Holstein dairy cows

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Journal of Animal Science and Biotechnology 2024年第2期15卷 795-811页

作者： Fanlin Kong Feiran wang Yijia Zhang Shuo wang wei wang Shengli Li Beijing Engineering Technology Research Center of Raw Milk Quality and Safety Control State Key Laboratory of Animal NutritionDepartment of Animal Nutrition and Feed ScienceCollege of Animal Science and TechnologyChina Agricultural UniversityBeijing 100193PR China College of Veterinary Medicine Nanjing Agricultural UniversityNanjingJiangsu 210095PR China

Background The dairy cow’s postpartum period is characterized by dramatic physiological changes,therefore imposing severe challenges on the animal for maintaining health and milk *** dynamics of the ruminal microbiota are also tremendous and may play a crucial role in lactation *** aim to investigate the potential benefits of early microbial intervention by fresh rumen microbiota transplantation(RMT)and sterile RMT in postpartum dairy *** fistulated peak-lactation dairy cows were selected to be the donors for rumen fluid *** postpartum cows were divided into 3 groups as the transplantation receptors respectively receiving 10 L fresh rumen fluid(FR),10 L sterile rumen fluid(SR),or 10 L saline(CON)during 3 d after *** Production performance,plasma indices,plasma lipidome,ruminal microbiome,and liver transcriptome were *** fresh and sterile RMT,we found that the molar proportion of propionic acid was increased on d 7 in the FR and SR groups and the bacterial composition was also significantly changed when compared with the CON group.A similarity analysis showed that the similarities between the CON group and FR or SR group on d 7 were 48.40%or 47.85%,whereas the similarities between microbiota on d 7 and 21 in the FR and SR groups were 68.34%or 66.85%.Dry matter intake and feed efficiency were not affected by ***β-hydroxybutyrate concentration in the FR group was decreased and significantly different lipids mainly included phosphatidylcholine and lysophosphatidylcholine containing polyunsaturated fatty *** transcriptomics analysis indicated acutephase response pathways were upregulated in the SR *** Our study suggests that RMT can shorten the transition process of the ruminal microbiota of postpartum dairy cows with no benefit on dry matter intake or feed *** with rumen fluid may not be a useful approach to promote the recovery of postpartum dairy cows.

关键词： Dairy cow Lipidomics Liver Rumen microbiota transplantation Transition period

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Development and validation of a nomogram prediction model for the risk of parastomal hernia

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Intelligent Medicine 2024年第2期4卷 128-133页

作者： Huasheng Liu weiqin wang Chen Qin Hongxia wang wei Qi Yanhua wei Longbo Zheng Jilin Hu Department of Gastroenterology Affiliated Hospital of Qingdao UniversityQingdaoShandong 266003China Qingdao Municipal Hospital Group QingdaoShandong 266300China Qingdao Center Medical Group QingdaoShandong 266042China

Background Parastomal hernia is one of the potential complications after *** is currently no early risk assessment tool for parastomal *** The current investigation was conducted using retrospective studies.A total of 302 cases were used develop and internally to validate a nomogram prediction model,and 67 cases were used for external *** risk factors for parastomal hernia after permanent sigmoid colostomy were assessed via univariate analysis and binary logistic regression *** nomogram prediction model was established based on independent risk *** Body mass index,serum albumin,age,sex,and stoma diameter were independent risk factors for parastomal *** areas under the receiver operating characteristic curves were 0.909 in the development group and 0.801 in the validation *** Hosmer-Lemeshow test(P>0.05)and calibration curves indicated good consistency between actual observations and predicted *** A nomogram prediction model was constructed and validated based on risk factors for parastomal *** nomogram could be generalized to patients undergoing surgery for stoma by specialized surgeons to provide relevant references for stoma patients.

关键词： Nomogram Parastomal hernia Risk factors

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Enhance the Performance of Directional Feature-based Palmprint Recognition by Directional Response Stability Measurement

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Machine Intelligence Research 2024年第3期21卷 597-614页

作者： Haitao wang wei Jia School of Computer Science and Information Engineering Hefei University of TechnologyHefei230009China

Palmprint recognition is an emerging biometrics technology that has attracted increasing attention in recent years. Many palmprint recognition methods have been proposed, including traditional methods and deep learning-based methods. Among the traditional methods, the methods based on directional features are mainstream because they have high recognition rates and are robust to illumination changes and small noises. However, to date, in these methods, the stability of the palmprint directional response has not been deeply studied. In this paper, we analyse the problem of directional response instability in palmprint recognition methods based on directional feature. We then propose a novel palmprint directional response stability measurement (DRSM) to judge the stability of the directional feature of each pixel. After filtering the palmprint image with the filter bank, we design DRSM according to the relationship between the maximum response value and other response values for each pixel. Using DRSM, we can judge those pixels with unstable directional response and use a specially designed encoding mode related to a specific method. We insert the DRSM mechanism into seven classical methods based on directional feature, and conduct many experiments on six public palmprint databases. The experimental results show that the DRSM mechanism can effectively improve the performance of these methods. In the field of palmprint recognition, this work is the first in-depth study on the stability of the palmprint directional response, so this paper has strong reference value for research on palmprint recognition methods based on directional features.

关键词： Biometrics palmprint recognition directional response stability directional coding-based methods directional feature

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Water–solid contact electrification and catalysis adjusted by surface functional groups

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Nano Research 2024年第4期17卷 3344-3351页

作者： Yusen Su Andy Berbille Zhong Lin wang wei Tang CAS Center for Excellence in Nanoscience Beijing Institute of Nanoenergy and NanosystemsChinese Academy of SciencesBeijing100083China School of Nanoscience and Technology University of Chinese Academy of SciencesBeijing100049China Georgia Institute of Technology AtlantaGA 30332-0245USA

Chemical functional groups on solid surfaces greatly influence contact electrification(CE)at water–solid *** studies of their effects mainly swapped materials or bonded related molecules to a substrate,introducing other factors of *** work aims at unambiguously demonstrating the role of functional groups in water-polymer *** study the contribution of functional groups,by using ion coupled plasma etching to modify a high-density polyethylene(HDPE)film,a polymer with a naturally quasi-null charge transfer ***(HDPE–F)and hydroxyl(HDPE–OH)functional groups are generated and endowed HDPE with charge withdrawing ***–F withdraws 2.5–2.7 times more charges than HDPE–***,the surface charges accumulated generate electrostatic forces,altering the droplets *** phenomenon provides another approach to study CE,helping to evaluate the contribution of electrons to solid–liquid ***,employing HDPE–F to perform contact-electro-catalysis shows its activity is 2.4 times higher than that of commercial fluorinated films.

关键词： contact-electro-catalysis charge transfer solid–liquid interfaces contact electrification

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Polyoxometalates coupled covalent organic frameworks as highly active photothermal nanoreactor for CO_(2)cycloaddition

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Nano Research 2024年第7期17卷 5975-5984页

作者： Tian wang Yunqing Zhu wei wang Junfeng Niu Zhiyi Lu Peilei He School of Environmental Science and Engineering Shaanxi University of Science and TechnologyXi’an 710021China Key Laboratory of Advanced Fuel Cells and Electrolyzers Technology of Zhejiang Province Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201China College of Environmental Science and Engineering North China Electric Power UniversityBeijing 102206China University of Chinese Academy of Sciences Beijing 100049China

Covalent organic frameworks(COFs)-based nanoreactors have attracted broad interest in many fields due to their voidconfinement ***,the inherent drawback of conventional nanoreactors is the lack of internal active sites,which limits their widespread ***,we report the construction of hierarchical COF(EB-TFP)nanoreactor with pre-synthesized polyoxometalates(POM,[PV_(2)W_(10)O40]5–(PV_(2)W_(10)))clusters encapsulated inside of COF(POM@COF).PV_(2)W_(10)@EB-TFP anchors nucleophilic-group(Br–ions)and PV_(2)W_(10)anion cluster within the COF framework via electrostatic interactions,which not only simplifies the reaction system but also enhances catalytic *** reaction performance of the PV_(2)W_(10)@EB-TFP nanoreactor can be tuned to achieve excellent catalytic activity in CO_(2)cycloaddition reaction(CCR)for~97.63%conversion and~100%selectivity under visible light irradiation.A mechanistic study based on density functional theory(DFT)calculations and insitu characterization was also carried *** summary,we have reported a method for achieving the uniform dispersion of POM single clusters into COF nanoreactor,demonstrating the potential of POM@COF nanoreactor for synergistic photothermal catalytic CO_(2)cycloaddition.

关键词： photothermal nanoreactor CO_(2)cycloaddition polyoxometalate photothermal-synergistic catalysis covalent organic frameworks

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Aerosol-radiation interaction and its variation in North China within 2015–2019 period under continuous PM_(2.5)improvements

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Journal of Environmental Sciences 2024年第2期136卷 81-94页

作者： Zhe Lv Xiaoqi wang wei wei Huahua Bai Xiaoyu Liu Guohao Li Shuiyuan Cheng Department of Environmental Science and Engineering Beijing University of TechnologyBeijing 100124China Key Laboratory of Beijing on Regional Air Pollution Control Beijing 100124China Beijing Municipal Research Institute of Eco-Environmental Protection Beijing 100037China Beijing Key Laboratory of Urban Atmospheric Volatile Organic Compounds Pollution Control and Application Beijing 100037China

A study was conducted on aerosol-radiation interactions over six cities in this region within the 2015–2019 ***-Chem simulations on 2017 showed that based on the six-city average,the aerosol load(PM_(2.5)concentrations)of 121.9,49.6,43.3,and 66.3μg/m^(3)in January,April,July,and October,mainly lowered the level of downward shortwave radiation by 38.9,24.0,59.1,and 24.4 W/m~2and reduced the boundary layer height by 79.9,40.8,87.4,and 31.0 m,via scattering and absorbing solar *** sensitivity of meteorological changes to identical aerosol loads varied in the order July>January>October and ***,the cooling and stabilizing effects of aerosols further led to increases in PM_(2.5),by23.0,3.4,4.6,and 7.3μg/m^(3)respectively in the four *** sensitivity of the effect of aerosols on PM_(2.5)was greatest in January rather than in July,contrary to the effect on ***,a negative linear relation was observed between daily BLH reductions and aerosol loads in fall and winter,and between PM_(2.5)increases and aerosol loads in all *** the PM_(2.5)pollution improvements in this region,the aerosol radiative forcing was effectively *** should result in daily BLH increases of 10–24 m in fall and winter,and the estimates in Beijing agreed well with the corresponding results based on AMDAR ***,the reduction in aerosol radiation effects brought about daily PM_(2.5)decreases of 1.6-2.8μg/m^(3),accounting for 7.0%–17.7%in PM_(2.5)improvements.

关键词： Radiative forcing Aerosol PM_(2.5) Boundary layer height(BLH) North China

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