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

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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

Seawater temperature and salinity sensing based on in-fiber Michelson-Fabry-Perrot hybrid interferometer employing frequency domain decomposition method

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Optoelectronics Letters 2024年第2期20卷 70-75页

作者： WANG Jiahui wei xian ZHU Yan SHEN Yue PANG Lipeng DUAN Shaoxiang Institute of Modern Optics Tianjin Key Laboratory of Micro-scale Optical Information Science and TechnologyNankai UniversityTianjin 300350China Foreign Cooperation Projects Department of PetroChina Dagang Oilfield Company Tianjin 300280China The 58th Research Institute of China Electronics Technology Group Corporation Wuxi 214035China Southern Marine Science and Engineering Guangdong Laboratory Zhuhai 519000China1

We propose an in-fiber Michelson-Fabry-Perrot(M-FP)hybrid interferometer for the simultaneous measurement of seawater temperature and *** sensor head consists of two parallel hetero Fabry-Perot(FP)cavities fabricated on the end face of the twin core fiber(TCF).A fiber fusion taper is used to split and recouple the light in the two *** this case,the Vernier effect can be obtained which can greatly enhance the sensitivity and solve the problem of temperature *** from the traditional demodulation method based on envelop detection,we employed frequency domain decomposition method(FDDM)to demodulate the sensing *** simulation results indicate that the proposed sensor has high sensitivity to salinity and *** to the merits of high sensitivity,ease of fabrication and small footprint,the proposed seawater temperature and salinity sensor would have potential applications in marine science,food industry and ocean ranching.

关键词： temperature salinity ocean

A novel method for producing benzene polycarboxylic acids by electrochemical oxidation of Zhaotong lignite in aqueous NaCl solution

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Carbon Resources Conversion 2024年第2期7卷 88-94页

作者： Ze-Zheng Li wei-Jia Jiang Yu-Gao Wang Zhi-Lei Wang Jun Shen xian-Yong wei College of Chemical Engineering and Technology Taiyuan University of TechnologyTaiyuan 030024ShanxiChina School of Basic Medicine Shanxi University of Chinese MedicineJinzhong 030619China Institute of Environmental Science Shanxi UniversityTaiyuan 030031China Shanxi Huayang New Material Technology Group Co. Ltd.YangquanShanxi 045000China Key Laboratory of Coal Processing and Efficient Utilization Ministry of EducationChina University of Mining&TechnologyXuzhou 221116JiangsuChina

The development of a coal-based synthetic route to produce benzene polycarboxylic acids(BPCAs)is of great importance for the highly efficient utilization of *** this paper,aqueous NaCl^(-)electrolytic system was used to oxidize Zhaotong lignite to prepare *** electrochemical oxidation of lignite in aqueous NaCl solution could produce more BPCAs than that in aqueous NaOH *** aqueous NaCl electrolytic system could in-suit produce a stable OCl^(-),which was synthesized by the combination reaction between Cl_(2)and OH􀀀generated in the anode or cathode,*** in-suit produced OCl^(-)would degrade the organic structures of the lignite dispersing in the electrolyte to generate *** formation of BPCAs could be greatly affected by current density,electrolysis time and the addition amount of NaCl in the electrolytic system,which resulted from that the factors played an important role in the generation of OCl^(-).The coal related model compounds including anthracene and phenanthrene were used to investigate the electrochemical oxidation mechanism of the *** results indicated that the aromatic ring structures in the lignite were attacked by O_(2)•^(-)from the OCl^(-)to afford BPCAs.

关键词： Lignite Benzene polycarboxylic acids Electrochemical oxidation Aqueous NaCl electrolytic system Coal related model compounds

Free radicals trigger the closure of open pores in lignin-derived hard carbons toward improved sodium-storage capacity

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Journal of Energy Chemistry 2024年第7期94卷 551-559页

作者： Wen-Jun Ji Zong-Lin Yi Ming-Xin Song Xiao-Qian Guo Yi-Lin Wang Yi-Xuan Mao Fang-Yuan Su Jing-Peng Chen xian-xian wei Li-Jing Xie Cheng-Meng Chen CAS Key Laboratory of Carbon Materials Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001ShanxiChina University of Chinese Academy of Sciences Beijing 100049China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China School of Environment and Safety Taiyuan University of Science and TechnologyTaiyuan 030001ShanxiChina

The chemical activation of various precursors is effective for creating additional closed pores in hard carbons for sodium ***,the formation mechanism of closed pores under the influence of pore-forming agents is not well ***,an effective chemical activation followed by a high-temperature self-healing strategy is employed to generate interconnected closed pores in lignin-derived hard carbon(HCs).By systematic experimental design combined with electron paramagnetic res-onance spectroscopy,it can be found that the content of free radicals in the carbon matrix influences the closure of open pores at high *** high activation temperature(>700 C)leads to a low free radical concentration,making it difficult to achieve self-healing of open pores at high *** activation at 700°C,a balance between pore making and self-healing is achieved in the final hard carbon.A large number of free radicals triggers rapid growth and aggregation of carbon microcrys-tals,blocking pre-formed open micropores and creating additional interconnected closed pores in as-obtained hard *** a result,the optimized carbon anode(LK-700-1300)delivers a high reversible capacity of 330.8 mA h g^(-1) at 0.03 A g^(-1),which is an increase of 86 mA h g^(-1) compared to the pristine lignin-derived carbon anode(L-700-1300),and exhibits a good rate performance(202.1 mA h g^(-1) at 1 A g^(-1)).This work provides a universal and effective guidance for tuning closed pores of hard carbons from otherprecursors.

关键词： Hard carbon Chemical activation Free radical Self-healing Closed pores Sodium ion batteries

Diagnostic performance of intravascular ultrasound-based fractional flow reserve in evaluating of intermediate left main stenosis

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Journal of Geriatric Cardiology 2024年第1期21卷 34-43页

作者： Yong-Gang SUI Cheng YANG Chang-Dong GUAN Yan-Lu XU Na-Qiong WU wei-xian YANG Yong-Jian WU Ke-Fei DOU Yue-Jin YANG Shu-Bin QIAO wei YU Bo XU Sheng-xian TU Jie QIAN Department of Cardiology Fuwai HospitalNational Center for Cardiovascular DiseasesChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijingChina Catheterization Laboratories Fuwai HospitalNational Center for Cardiovascular DiseasesChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijingChina Biomedical Instrument Institute School of Biomedical EngineeringShanghai Jiao Tong UniversityShanghaiChina National Clinical Research Center for Cardiovascular Diseases BeijingChina

BACKGROUND The recently introduced ultrasonic flow ratio(UFR),is a novel fast computational method to derive fractional flow reserve(FFR)from intravascular ultrasound(IVUS)*** the present study,we evaluate the diagnostic performance of UFR in patients with intermediate left main(LM)*** This is a prospective,single center study enrolling consecutive patients with presence of intermediated LM lesions(diameter stenosis of 30%-80%by visual estimation)underwent IVUS and FFR *** independent core laboratory assessed offline UFR and IVUS-derived minimal lumen area(MLA)in a blinded *** Both UFR and FFR were successfully achieved in 41 LM patients(mean age,62.0±9.9 years,46.3%diabetes).An acceptable correlation between UFR and FFR was identified(r=0.688,P50%(AUC=0.66,P<0.001)and numerically higher than IVUS-derived MLA(AUC=0.82;P=0.09).Patient level diagnostic accuracy,sensitivity and specificity for UFR to identify FFR≤0.80 was 82.9%(95%CI:70.2-95.7),93.1%(95%CI:82.2-100.0),58.3%(95%CI:26.3-90.4),*** In patients with intermediate LM diseases,UFR was proved to be associated with acceptable correlation and high accuracy with pressure wire-based FFR as standard *** present study supports the use of UFR for functional evaluation of intermediate LM stenosis.

关键词： stenosis flow fractional

A seismic elastic moduli module for the measurements of low-frequency wave dispersion and attenuation of fluid-saturated rocks under different pressures

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Petroleum Science 2024年第1期21卷 162-181页

作者： Yan-Xiao He Shang-Xu Wang Gen-Yang Tang Chao Sun Hong-Bing Li San-Yi Yuan xian wei Li-Deng Gan Xiao-Feng Dai Qiang Ge Peng-Peng wei Hui-Qing Zhang National Key Laboratory of Petroleum Resources and Engineering CNPC Key Lab of Geophysical ExplorationCollege of GeophysicsChina University of Petroleum(Beijing)Beijing102249China School of Resources and Geosciences China University of Mining and TechnologyXuzhou221116JiangsuChina Research Institute of Petroleum Exploration and Development CNPCBeijing100083China Beijing Vocational College of Labour and Social Security Beijing100029China PetroChina Dagang Oilfield Exploration and Development Research Institute CNPCTianjin300280China

Knowledge about the seismic elastic modulus dispersion,and associated attenuation,in fluid-saturated rocks is essential for better interpretation of seismic observations taken as part of hydrocarbon identification and time-lapse seismic surveillance of both conventional and unconventional reservoir and overburden performances.A Seismic Elastic Moduli Module has been developed,based on the forced-oscillations method,to experimentally investigate the frequency dependence of Young's modulus and Poisson's ratio,as well as the inferred attenuation,of cylindrical samples under different confining pressure *** with three standard samples showed that the measured elastic moduli were consistent with the published data,indicating that the new apparatus can operate reliably over a wide frequency range of f∈[1-2000,10^(6)]*** Young's modulus and Poisson's ratio of the shale and the tight sandstone samples were measured under axial stress oscillations to assess the frequency-and pressure-dependent *** dry condition,both samples appear to be nearly frequency independent,with weak pressure dependence for the shale and significant pressure dependence for the *** particular,it was found that the tight sandstone with complex pore microstructure exhibited apparent dispersion and attenuation under brine or glycerin saturation conditions,the levels of which were strongly influenced by the increased effective *** addition,the measured Young's moduli results were compared with the theoretical predictions from a scaled poroelastic model with a reasonably good agreement,revealing that the combined fluid flow mechanisms at both mesoscopic and microscopic scales possibly responsible for the measured dispersion.

关键词： Low-frequency measurements Dispersion and attenuation Rock physics Fluid flow

Mental health and insomnia problems in healthcare workers after the COVID-19 pandemic:A multicenter cross-sectional study

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World Journal of Psychiatry 2024年第5期14卷 704-714页

作者： wei Ding Min-Zhong Wang xian-wei Zeng Zhen-Hua Liu Yao Meng Hui-Ting Hu Yuan Zhang Yu-Guang Guan Fan-Gang Meng Jian-Guo Zhang Shu Wang Department of Public Health Liaocheng People’s HospitalLiaocheng 252000Shandong ProvinceChina Department of Neurology Shandong Provincial Hospital Affiliated to Shandong First Medical UniversityJinan 250021Shandong ProvinceChina Department of Neurosurgery Qilu Hospital of Shandong UniversityJinan 250012Shandong ProvinceChina Sleep Medicine Center Shandong Provincial Hospital Affiliated to Shandong First Medical UniversityJinan 250021Shandong ProvinceChina Department of Neurology The First Affiliated Hospital of Shandong First Medical UniversityJinan 250014Shandong ProvinceChina Department of Neurology Heze Mudan People’s HospitalHeze 274000Shandong ProvinceChina Neonatal Center Beijing Children's HospitalCapital Medical UniversityNational Center for Children's HealthBeijing 100045China Department of Neurosurgery SanBo Brain HospitalCapital Medical UniversityBeijing 100093China Department of Neurosurgery Beijing Tiantan HospitalCapital Medical UniversityBeijing 100070China

BACKGROUND Healthcare workers(HCWs)are at increased risk of contracting coronavirus disease 2019(COVID-19)as well as worsening mental health problems and *** problems can persist for a long period,even after the ***,less is known about this *** To analyze mental health,insomnia problems,and their influencing factors in HCWs after the COVID-19 *** This multicenter cross-sectional,hospital-based study was conducted from June 1,2023 to June 30,2023,which was a half-year after the end of the COVID-19 ***-stratified population-based cluster sampling was applied at the provincial level for Chinese *** such as anxiety,depression,and insomnia were evaluated by the Generalized Anxiety Disorder-7,Patient Health Questionnaire-9,and Insomnia Severity *** influencing the symptoms were identified by multivariable logistic *** A total of 2000 participants were invited,for a response rate of 70.6%.A total of 1412 HCWs[618(43.8%)doctors,583(41.3%)nurses and 211(14.9%)nonfrontline],254(18.0%),231(16.4%),and 289(20.5%)had symptoms of anxiety,depression,and insomnia,respectively;severe symptoms were found in 58(4.1%),49(3.5%),and 111(7.9%)of the ***,female sex,and hospitalization for COVID-19 were risk factors for anxiety,depression,and insomnia symptoms;moreover,death from family or friends was a risk factor for insomnia *** the COVID-19 outbreak,most[1086(76.9%)]of the participating HCWs received psychological interventions,while nearly all[994(70.4%)]of them had received public psychological *** 102(7.2%)of the HCWs received individual counseling from *** Although the mental health and sleep problems of HCWs were relieved after the COVID-19 pandemic,they still faced challenges and greater risks than did the general *** risk factors would help in providing targeted *** addition,although a major proportion of

关键词： COVID-19 Mental health Psychological symptoms Insomnia Sleep disorders Cross-sectional study Epidemiological study

Enhanced photothermal dehydration of methanol over W_(18)O_(49)/Au/SAPO-34 catalysts with broadened light absorption

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Rare Metals 2024年第3期43卷 1139-1152页

作者： Ya-Qin Tang Meng-Xia Yan Chang-Qian Lu Shao-Yuan Li Kui-xian wei Tao Qu Wen-HuiMa Yong-Nian Dai Kong-Zhai Li Da-Jun Luo Xue-Liang Zhang Yi-Ke Liu Faculty of Metallurgical and Energy Engineering Kunming University of Science and TechnologyKunming650093China School of Materials and Energy Engineering Guizhou Institute of TechnologyGuiyang550003China

Methanol-to-olefins(MTO)process is one of the most critical pathways to produce low carbon ***,the reaction is driven by thermal catalysis,which inevitably needs to consume large amounts of fossil *** a new technique to substitute for the fuel burning is urgent for MTO process to improve the industry prospects and ***,we report a novel W_(18)O_(49)/Au/SAPO-34(W/Au/S),a multifunctional photothermal catalyst for the MTO reaction.A high methanol conversion was achieved under xenonum(Xe)lamp irradiation,yielding methyl ether(ME)and ethylene as the main *** optimized W/Au/S catalysts showed ethylene yield as high as 250μmol in 60 min,which was 2.5 times higher than that of Au/*** physiochemical characterization revealed that the SAPO-34 molecular sieves were surrounded by Au and W_(18)O_(49)nanoparticles,which exhibited a strong localized surface plasmon resonance excitation around 540 nm and light absorption beyond 500 *** multifunctional catalysts showed a strong photothermal effect,arising from the broadened light absorption of Au and W_(18)O_(49)nanoparticles,leading to a temperature as high as 250℃on the surface of the *** study showed that the superior ethylene selectivity of W/Au/S catalysts was attributed to the moderating acidic sites of W_(18)O_(49)for methanol dehydration to *** research may provide new insight for designing heterostructures to improve photo-to-chemical conversion performance and is expected to accelerate progress toward the excellent multifunctional photothermal catalysts with broad light absorption for methanol activation and C-C bond formation.

关键词： Methanol conversion Ethylene Photothermal catalysis W_(18)O_(49) BrΦnsted-acid

The prognostic value of collateral circulation in coronary chronic total occlusion underwent percutaneous coronary intervention

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Journal of Geriatric Cardiology 2024年第2期21卷 232-241页

作者： Xiao-Ying HU wei-xian YANG Chang-Dong GUAN Li-Hua XIE Ke-Fei DOU Yong-Jian WU Jin-Qing YUAN Jie QIAN Yue-Jin YANG Shu-Bin QIAO Lei SONG Department of Cardiology Fuwai HospitalNational Center for Cardiovascular DiseasesChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijingChina National Clinical Research Center for Cardiovascular Diseases BeijingChina Catheterization Laboratories Fuwai HospitalNational Center for Cardiovascular DiseasesChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijingChina

BACKGROUND The prognostic value of coronary collateral circulation(CC)in patients undergoing chronic total occlusion(CTO)percutaneous coronary intervention(PCI)is *** purpose of the study was to assess the prognostic value of current two CC grading systems and their association with long-term outcomes in patients with CTO underwent *** We consecutively enrolled patients with single-vessel CTO underwent PCI between January 2010 and *** patients were categorized into well-developed or poor-developed collaterals group according to angiographic Werner's CC(grade 2 *** 0–1)or Rentrop(grade 3 *** 0–2)grading *** primary endpoint was 5-year cardiac *** Of 2452 enrolled patients,the overall technical success rate was 74.1%.Well-developed collaterals were present in686 patients(28.0%)defined by Werner's CC grade 2,and in 1145 patients(46.7%)by Rentrop grade *** to Werner's CC grading system,patients with well-developed collaterals had a lower rate of 5-year cardiac death compared with those with poordeveloped collaterals(1.6%vs.3.3%,P=0.02),those with suboptimal recanalization was associated with higher rate of 5-year cardiac death compared with optimal recanalization(4.7%vs.0.8%,P=0.01)and failure patients(4.7%vs.1.6%,P=0.12).However,the similar effect was not shown in Rentrop grading *** In patients with the single-vessel CTO underwent PCI,well-developed collaterals by Werner's CC definition were associated with lower rate of 5-year cardiac ***'s CC grading system had a greater prognostic value than Rentrop grading system in patients with CTO underwent PCI.

关键词： coronary collateral occlusion