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Intelligent design and construction of novel APN-based theranostic probe driven by advanced computational methods

Chinese Chemical Letters 2024年第2期35卷 352-357页

作者： Yingli Zhu Jie Qian Kunqian Yu Jing Hou Yeshuo Ma Fei Chen Jie Dong Wenbin Zeng Xiangya School of Pharmaceutical Sciences Central South UniversityChangsha 410083China National Engineering research Center of Rice and Byproduct Deep Processing School of Food Science and EngineeringCentral South University of Forestry and TechnologyChangsha 410004China State Key Laboratory of Drug research Drug Discovery and Design CenterShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Department of Geriatrics Third Xiangya HospitalCentral South UniversityChangsha 410013China

Multifunctional molecules with both optical signal and pharmacological activity play an important role in drug development,disease diagnosis,and basic theoretical *** N(APN),as a representative tumor biomarker with anti-tumor potential,still lacks a high-precision theranostic probe specifically targeting *** this study,a novel quaternity design strategy for APN theranostic probe was *** proposed strategy utilizes advanced machine learning and molecular dynamics simulations,and cleverly employs the strategy of conformation-induced fluorescence recovery to achieve multi-objective optimization and integration of functional *** this strategy,a unique“Off-On”theranostic probe,ABTP-DPTB,was ingeniously constructed to light up APN through fluorescence restoration,relying on conformation-induced effects and solvent *** from the common diagnostic probes,the intelligent design with non-substrated linkage makes ABTP-DPTB for long-term in-situ *** fabricated probe was used for detecting and inhibiting APN in various environments,with a better in vitro inhibitory than golden-standard drug bestatin.

关键词： Theranostic probe Artificial intelligence Conformational restriction Fluorescence restoration Design strategy

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Time and Space Efficient Multi-Model Convolution Vision Transformer for Tomato Disease Detection from Leaf Images with Varied Backgrounds

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Computers, Materials & Continua 2024年第4期79卷 117-142页

作者： Ankita Gangwar Vijaypal Singh Dhaka Geeta Rani Shrey Khandelwal Ester Zumpano Eugenio Vocaturo Department of Computer and Communication Engineering Manipal University JaipurJaipurIndia Department of IoT and Intelligent Systems Manipal University JaipurJaipurIndia Department of Computer Engineering ModellingElectronics and Systems(DIMES)University of CalabriaRende(Cosenza)Italy National research Council Institute of Nanotechnology(NANOTEC)Rende(Cosenza)Italy

A consumption of 46.9 million tons of processed tomatoes was reported in 2022 which is merely 20%of the total *** increase of 3.3%in consumption is predicted from 2024 to *** are also rich in iron,potassium,antioxidant lycopene,vitamins A,C and K which are important for preventing cancer,and maintaining blood pressure and glucose ***,tomatoes are globally important due to their widespread usage and nutritional *** face the high demand for tomatoes,it is mandatory to investigate the causes of crop loss and minimize *** are one of the major causes that adversely affect crop yield and degrade the quality of the tomato *** leads to financial losses and affects the livelihood of ***,automatic disease detection at any stage of the tomato plant is a critical *** learning models introduced in the literature show promising results,but the models are difficult to implement on handheld devices such as mobile phones due to high computational costs and a large number of ***,most of the models proposed so far work efficiently for images with plain backgrounds where a clear demarcation exists between the background and leaf ***,the existing techniques lack in recognizing multiple diseases on the same *** address these concerns,we introduce a customized deep learning-based convolution vision transformer *** achieves an accuracy of 93.51%for classifying tomato leaf images with plain as well as complex backgrounds into 13 *** requires a space storage of merely 5.8 MB which is 98.93%,98.33%,and 92.64%less than stateof-the-art visual geometry group,vision transformers,and convolution vision transformermodels,*** training time of 44 min is 51.12%,74.12%,and 57.7%lower than the above-mentioned ***,it can be deployed on(Internet of Things)IoT-enabled devices,drones,or mobile devices to assist farmers in the real-time monitoring of tomato *** p

关键词： Tomato disease transformer deep learning mobile devices

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The formation and evolutionary characteristics of organic matter and pyrites in the continental shales of the 3^(rd)submember of Chang 7 Member,Yanchang formation,Ordos Basin,China

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Energy Geoscience 2024年第2期5卷 31-39页

作者： Ruikang Bian State Key Laboratory of Shale Oil and Gas Enrichment Mechanisms and Effective Development Beijing 102206China Key Laboratory of Shale Oil and Gas Exploration&Production Technology SinopecBeijing 102206China SINOPEC Exploration&Production research institute Beijing102206China

Through microscopic analyses(e.g.,organic macerals,thin section observation,scanning electron microscope(SEM)imaging of fresh bedding planes via argon ion milling,and energy spectrum tests)combined with Rock-Eval analyses,this study systematically investigated the organic matter and pyrites in the continental shales in the 3^(rd)submember of the Chang 7 Member(Chang 7^(3)submember)in the Yanchang Formation,Ordos Basin and determined their types and the formation and evolutionary *** results are as *** organic matter of the continental shales in the Chang 7^(3)submember is dominated by amorphous bituminites and migrabitumens,which have come into being since the early diagenetic stage and middle diagenetic stage A,*** formation and transformation of organic matter is a prerequisite for the formation of *** Ordos Basin was a continental freshwater lacustrine basin and lacked sulphates in waters during the deposition of the Chang 7 ***,the syndiagenetic stage did not witness the formation of large quantities of *** the basin entered early diagenetic stage A,large quantities of sulfur ions were released as the primary organic matter got converted into bituminites and,accordingly,pyrites started to ***,this stage featured poorer fluid and spatial conditions compared with the syndepositional stage due to withdraw of water,the partial formation of bituminites,and a certain degree of *** a result,large quantities of pyrrhotite failed to transition into typical spherical framboidal pyrites but grew into euhedral monocrystal *** addition,pyrites are still visible in the migrabitumens in both microfractures and inorganic pores of mudstones and shales,indicating that the pyrite formation period can extend until the middle diagenetic stage A.

关键词： Organic matter Pyrite Formation and evolution Continental shale Chang 7^(3)submember Ordos Basin

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Future changes in compound drought events and associated population and GDP exposure in China based on CMIP6

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Atmospheric and Oceanic Science Letters 2024年第3期17卷 25-31页

作者： Rufan Xue Bo Sun Wanling Li Huixin Li Botao Zhou Collaborative Innovation Center on Forecast and Evaluation of Meteorological Disasters/Key Laboratory of Meteorological Disasters Ministry of Education/Joint International Research Laboratory of Climate and Environment ChangeNanjing University of Information Science and TechnologyNanjingChina Southern Marine Science and Engineering Guangdong Laboratory ZhuhaiChina Nansen Zhu International research Centre Institute of Atmospheric PhysicsChinese Academy of SciencesBeijingChina

相较于一种类型的干旱,几种类型的干旱同时发生的复合型干旱事件对人类社会造成的危害更加严重.本研究采用CMIP6资料,研究中国复合型干旱事件及其相关社会经济暴露度的未来变化.结果表明,西北北部,西南和华南地区复合型干旱事件频次,持... 详细信息

相较于一种类型的干旱,几种类型的干旱同时发生的复合型干旱事件对人类社会造成的危害更加严重.本研究采用CMIP6资料,研究中国复合型干旱事件及其相关社会经济暴露度的未来变化.结果表明,西北北部,西南和华南地区复合型干旱事件频次,持续时间和严重程度增加,而华北和东北地区则减少.复合型干旱事件的人口暴露度在长江流域南部大幅增加,在长江流域以北的东部大幅减少,其中气候和人口均对人口暴露度的变化有重要影响.由于GDP的快速增长,中国未来几乎所有地区复合型干旱事件的GDP暴露度增加,特别是在中国东部,GDP效应对GDP暴露度变化的相对贡献最大.

关键词：复合型干旱事件国际耦合模式比较计划人口暴露度 GDP暴露度相对贡献

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Efficient photocatalytic reduction of COto formate by a molecular noble metal-free system

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Science China Chemistry 2024年

作者： Lihua Zhang Lingjing Chen Huatian Shi Yue Wei Gui Chen Tai-Chu Lau School of Environment and Civil Engineering Research Center for Eco-environmental Engineering Dongguan University of Technology Department of Chemistry and institute of Molecular Functional Materials City University of Hong Kong

Reducing CO2to carbon-neutral solar fuels can not only alleviate the energy demand but also mitigate the greenhouse *** present,developing an efficient non-noble metal photo/electrocatalytic system for converting CO2to a specific product beyond CO is still a big ***,we report a new cobalt complex bearing 2,2′-bi-1,10-phenanthroline ligand that can photocatalytically reduce CO2to formate （HCOO-）.Turnover number （TON） for HCOO-up to 677 with 99%selectivity can be achieved using organic dyes purpurin as photosensitizer and 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole （BIH） as sacrificial reductant in a CO2-saturated NMP/TEA （v/v,3:1） solution under visible light *** potential electrolysis at-1.41 V （***/AgCl） in the presence of 12 mM Et3NHBF4also produced HCOO-with Faradaic efficiency of39%.Spectroscopic and electrochemical studies suggest that a[CoI-H]species is the key intermediate for CO2reduction.

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Ten-year observation of corneal densitometry and associated factors following small incision lenticule extraction

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International Journal of Ophthalmology(English edition) 2024年第3期17卷 485-490页

作者： Xiao-Song Han Fei Xia Zhuo-Yi Chen Pei-Jun Yao Dong-Mei Yang Jing Zhao Xing-Tao Zhou Eye institute and Department of Ophthalmology Eye&ENT HospitalFudan UniversityShanghai 200031China NHC Key Laboratory of Myopia(Fudan University) Key Laboratory of MyopiaChinese Academy of Medical SciencesShanghai 200031China Shanghai research Center of Ophthalmology and Optometry Shanghai 200031China Shanghai Engineering research Center of Laser and Autostereoscopic 3D for Vision Care(20DZ2255000) Shanghai 200031China

●AIM:To investigate the long-term changes of corneal densitometry(CD)and its contributing elements after small incision lenticule extraction(SMILE).●METHODS:Totally 31 eyes of 31 patients with mean spherical equivalent of-6.46±1.50 D and mean age 28.23±7.38y were ***-scale examinations were conducted on all patients preoperatively and during *** acuity,manifest refraction,axial length,corneal thickness,corneal higher-order aberrations,and CD were evaluated.●RESULTS:All surgeries were completed successfully without complications or adverse ***-year safety index was 1.17±0.20 and efficacy 1.04±*** value of 0–6 mm zones in central layer was statistically significantly lower 10y postoperatively,compared with preoperative values(0–2 mmΔ=-1.62,2–6 mmΔ=-1.24,P<0.01).There were no correlations between CD values and factors evaluated.●CONCLUSION:SMILE is a safe and efficient procedure for myopia on a long-term *** values get lower 10y postoperatively,whose mechanism is to be further discussed.

关键词： myopia small incision lenticule extraction corneal densitometry

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QBIoT:A Quantum Blockchain Framework for IoT with an Improved Proof-of-Authority Consensus Algorithm and a Public-Key Quantum Signature

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Computers, Materials & Continua 2024年第7期80卷 1727-1751页

作者： Ang Liu Qing Zhang Shengwei Xu Huamin Feng Xiu-bo Chen Wen Liu Network and Information Management Division Beijing Electronic Science and Technology InstituteBeijing100070China Department of Cyberspace Security Beijing Electronic Science and Technology InstituteBeijing100070China Information Security institute Beijing Electronic Science and Technology InstituteBeijing100070China General Office Beijing Electronic Science and Technology InstituteBeijing100070China Information Security Center State Key Laboratory of Networking and Switching TechnologyBeijing University of Posts and TelecommunicationsBeijing100876China

The Internet of Things(IoT)is a network system that connects physical devices through the Internet,allowing them to ***,IoT has become an integral part of our lives,offering convenience and smart ***,the growing number of IoT devices has brought about a corresponding increase in cybersecurity threats,such as device vulnerabilities,data privacy concerns,and network *** blockchain technology with IoT has proven to be a promising approach to enhance IoT ***,the emergence of quantum computing poses a significant challenge to the security of traditional classical cryptography used in blockchain,potentially exposing it to quantum *** support the growth of the IoT industry,mitigate quantum threats,and safeguard IoT data,this study proposes a robust blockchain solution for IoT that incorporates both classical and post-quantum security ***,we present the Quantum-Enhanced Blockchain Architecture for IoT(QBIoT)to ensure secure data sharing and integrity ***,we propose an improved Proof of Authority consensus algorithm called“Proof of Authority with Random Election”(PoARE),implemented within QBIoT for leader selection and new block ***,we develop a publickey quantum signature protocol for transaction verification in the ***,a comprehensive security analysis of QBIoT demonstrates its resilience against cyber threats from both classical and quantum *** summary,this research introduces an innovative quantum-enhanced blockchain solution to address quantum security concernswithin the realmof *** proposedQBIoT framework contributes to the ongoing development of quantum blockchain technology and offers valuable insights for future research on IoT security.

关键词： IoT quantum blockchain public-key quantum signature quantum hash function

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A CMIP6-based assessment of regional climate change in the Chinese Tianshan Mountains

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Journal of Arid Land 2024年第2期16卷 195-219页

作者： LIU Xinyu LI Xuemei ZHANG Zhengrong ZHAO Kaixin LI Lanhai Faculty of Geomatics Lanzhou Jiaotong UniversityLanzhou 730070China National-Local Joint Engineering research Center of Technologies and Applications for National Geographic State Monitoring Lanzhou 730070China Gansu Provincial Engineering Laboratory for National Geographic State Monitoring Lanzhou 730070China State Key Laboratory of Desert and Oasis Ecology Xinjiang Institute of Ecology and GeographyChinese Academy of SciencesUrumqi 830011China research Center for Ecology and Environment of Central Asia Chinese Academy of SciencesUrumqi 830011China

Climate warming profoundly affects hydrological changes,agricultural production,and human *** and semi-arid areas of China are currently displaying a marked trend of warming and *** Chinese Tianshan Mountains(CTM)have a high climate sensitivity,rendering the region particularly vulnerable to the effects of climate *** this study,we used monthly average temperature and monthly precipitation data from the CN05.1 gridded dataset(1961-2014)and 24 global climate models(GCMs)of the Coupled Model Intercomparison Project Phase 6(CMIP6)to assess the applicability of the CMIP6 GCMs in the CTM at the regional *** on this,we conducted a systematic review of the interannual trends,dry-wet transitions(based on the standardized precipitation index(SPI)),and spatial distribution patterns of climate change in the CTM during *** further projected future temperature and precipitation changes over three terms(near-term(2021-2040),mid-term(2041-2060),and long-term(2081-2100))relative to the historical period(1961-2014)under four shared socio-economic pathway(SSP)scenarios(i.e.,SSP1-2.6,SSP2-4.5,SSP3-7.0,and SSP5-8.5).It was found that the CTM had experienced significant warming and wetting from 1961 to 2014,and will also experience warming in the future(2021-2100).Substantial warming in 1997 was captured by both the CN05.1 derived from interpolating meteorological station data and the multi-model ensemble(MME)from the CMIP6 *** MME simulation results indicated an apparent wetting in 2008,which occurred later than the wetting observed from the CN05.1 in *** GCMs generally underestimated spring temperature and overestimated both winter temperature and spring precipitation in the *** and wetting are more rapid in the northern part of the *** the end of the 21st century,all the four SSP scenarios project warmer and wetter conditions in the CTM with multiple dry-wet ***,the rise in precipitation fails to counterbal

关键词： climate change Coupled Model Intercomparison Project Phase 6(CMIP6) global climate models(GCMs) shared socio-economic pathway(SSP)scenarios standardized precipitation index(SPI) Chinese Tianshan Mountains

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Structure design of lead-free chiral-polar perovskites for sensitive self-powered X-ray detection

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Chinese Journal of Structural Chemistry 2024年第6期43卷 34-39页

作者： Xin Dong Tianqi Chen Jing Liang Lei Wang Huajie Wu Zhijin Xu Junhua Luo Li-Na Li State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou350002China Fujian Science&Technology Innovation Laboratory for Optoelectronic Information of China Fuzhou350108China University of the Chinese Academy of Sciences Beijing100039China

Metal halide perovskites have made significant progress in X-ray detection owing to their exceptional optoelec-tronic ***,most of these materials suffer from toxic element lead and require for high operating ***,it is imperative to explore environmentally friendly perovskite crystals without external bias for X-ray ***,we strategically introduce chiral cations to synthesize a pair of lead-free chiral-polar hybrid perovskites(S-MPz)_(6)Bi_(3)I_(21)·6H_(2)O and(R-MPz)_(6)Bi_(3)I_(21)·6H_(2)O(1S and 1R,S/R-MPz=S/R-2-methylpipera-zinium),which exhibit strong circular dichroism(CD)signals with an anisotropic g-factor reaching approximately ***,the chiral-polar feature gives rise to distinctive spontaneous polarization,which leads to a photovoltage of 1.1 V under X-ray illumination,endowing self-powered detection capabilities for *** exploration of X-ray devices based on 1R single crystal(SC)demonstrates a high sensitivity of 5.2 pC Gy_(air)^(-1)cm^(-2)at zero *** study realizes passive X-ray detection depending on the intrinsic spontaneous polarization induced built-in electric field of chiral-polar perovskite,providing an effective approach to the chemical design of desired materials for high-performance"green"self-powered radiation detection.

关键词： Lead-free perovskite Self-powered Chiral-polar X-ray detection

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Suicide risk in juvenile open angle glaucoma patients

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International Journal of Ophthalmology(English edition) 2024年第10期17卷 1880-1886页

作者： Hye-Jeong Seong Sukyoung Jung Sooyeon Choe Department of Ophthalmology Chungnam National University HospitalDaejeon 35015Republic of Korea Department of Ophthalmology Chungnam National University College of MedicineDaejeon 35015Republic of Korea Department of Health Care Policy research Korea Institute for Health and Social AffairsSejong 30147Republic of Korea

AIM:To investigate the association between juvenile open angle glaucoma(JOAG)and mental health among ***:This study used nationally representative data from the 8th Korea National Health and Nutrition Examination Survey(KNHANES)*** diagnosis followed the International Society of Geographical and Epidemiological Ophthalmology criteria based on glaucomatous structural defects,visual field defects,corrected vision,and intraocular *** outcomes,suicidal behaviors,psychiatric counseling,and depression were evaluated through mental health *** ratios(ORs)with 95%confidence intervals(CIs)were estimated using logistic regression models,adjusting for ***:Among 7090 participants,3446 met the inclusion criteria for analysis,and 88(2.6%)were diagnosed with open angle glaucoma(OAG).After adjusting for age,sex,and best-corrected visual acuity(VA),participants with OAG were revealed to have significantly higher odds of suicidal behaviors(i.e.,ideation,planning,or attempts)compared with those without OAG(OR:2.70;95%CI:1.12-6.54;P=0.028).This association remained significant after further adjustments for socioeconomic status,lifestyle factors,and presence of chronic conditions(P=0.031 and 0.035,respectively).However,there was no significant difference for the other two outcomes,psychiatric counseling and *** age-stratified analysis revealed a stronger association between OAG and suicidal behaviors in younger JOAG participants(<40y)than in older OAG participants(≥40y;OR:3.80 vs 2.22;95%CI:0.79-18.22 vs 0.56-8.80,respectively).CONCLUSION:OAG patients show a higher risk of suicidal behaviors than those without glaucoma particularly in JOAG patients.

关键词： glaucoma juvenile open angle glaucoma suicide suicidal behavior

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