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The hydrophobic cluster on the surface of protein is the key structural basis for the SDS-resistance of chondroitinase VhChlABC

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Marine Life Science & technology 2024年第1期6卷 93-101页

作者： Juanjuan Su Hao Wu Chengying Yin Fengchao Zhang Feng Han Wengong Yu School of Medicine and Pharmacy Ocean University of ChinaQingdao 266003China laboratory for Marine Drugs and Bioproducts Qingdao Marine Science and Technology CenterQingdao 266237China key laboratory of Marine Drugs Ministry of EducationQingdao 266003China Shandong Provincial key laboratory of Glycoscience and Glycoengineering Qingdao 266003China

The application of chondroitinase requires consideration of the complex microenvironment of the *** previous research reported a marine-derived sodium dodecyl sulfate(SDS)-resistant chondroitinase *** study further investigated the mechanism of VhChlABC resistance to *** on the hydrophobic cluster on its strong hydrophilic surface,it was found that the reduction of hydrophobicity of surface residues Ala181,Met182,Met183,Ala184,Val185,and Ile305 significantly reduced the SDS resistance and *** dynamics(MD)simulation and molecular docking analysis showed that I305G had more conformational flexibility around residue 305 than wild type(WT),which was more conducive to SDS insertion and *** affinity of A181G,M182A,M183A,V185A and I305G to SDS was significantly higher than that of *** conclusion,the surface hydrophobic microenvironment composed of six residues was the structural basis for SDS *** feature could prevent the binding of SDS and the destruction of hydrophobic packaging by increasing the rigid conformation of protein and reducing the binding force of *** study provides a new idea for the rational design of SDS-resistant proteins and may further promote chondroitinase research in the targeted therapy of lung diseases under the pressure of pulmonary surfactant.

关键词： Hydrophobic cluster Protein surface SDS-resistance Chondroitinase

Temperature/electric field induced photoluminescence-modulation effect in dysprosium-doped barium titanate ferroelectric ceramics

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Journal of Materiomics 2024年第5期10卷 1117-1125页

作者： Lei Xia Xiao Liu Zhan Mao Yanbin Cai Jing Zhu Jiyang Xie Wanbiao Hu yunnan key laboratory of Electromagnetic Materials and Devices National Center for International Research on Photoelectric and Energy MaterialsSchool of Materials and EnergyYunnan UniversityKunming650091China Electron Microscopy Center Yunnan UniversityKunming650091China University of Science and technology of China Hefei230026China

Lanthanide(Ln^(3+))based ferroelectric phosphors,with an integration of PL emission and ferroelectric effect,are unveiling an exciting realm of possibilities for multifunctional ferroelectric-optic ***,how the ferroelectric host enables the tuning on the PL emissions through modulating the local structure(e.g.,lattice site,symmetry,strains etc.)of the Ln^(3+)activator is not established *** this work,a luminescent-ferroelectric material,***^(3+)doped BaTiO_(3) ceramic(Ba_(1–x)Dy_(x)TiO_(3)(x=0–0.07),abbr:BTO:Dy^(3+)),was explored to address the aforementioned *** BTO:Dy^(3+)ceramics were synthesized by a solid-state reaction *** crystal structure,photoluminescence(PL)and electric properties(dielectric constant,ferroelectric hysteresis and piezoelectric hysteresis loop)were systematically *** BTO:Dy^(3+)ceramics show two predominant emission peaks,corresponding to the blue magnetic dipole transition(477 nm,4F_(7/2)→6H_(15/2))and yellow electric dipole transition(573 nm,4F_(7/2)→6H_(13/2)),the intensity ration of which can be modulated by the ferroelectric polarization that causes the slight lattice *** a polarization-emission modulation combining with the Dy3+doping could accelerate the color change,from yellow to blue,which is characterized to detect the phase transition,with a method and mechanism were proposed,that is,the phase change is reflected by the PL characteristic peak intensity ***,the current results offer a convenient photoluminescence method for detecting the ferroelectric phase transition and a feasible approach to study the interaction between the photoluminescence and polarization in ferroelectric materials,for providing new insights for the development of multifunctional materials.

关键词： Photoluminescence Barium titanate Modulation Ferroelectric ceramics

Personalized assessment and training of neurosurgical skills in virtual reality:An interpretable machine learning approach

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虚拟现实与智能硬件（中英文） 2024年第1期6卷 17-29页

作者： Fei LI Zhibao QIN Kai QIAN Shaojun LIANG Chengli LI Yonghang TAI yunnan key laboratory of Opto-electronic Information technology Yunnan Normal UniversityKunming 650500China Department of Thoracic Surgery Institute of The First People’s Hospital of Yunnan ProvinceKunming 650500China Faculty of Life and Biotechnology Kunming University of Science and TechnologyKunming 650031China

Background Virtual reality technology has been widely used in surgical simulators,providing new opportunities for assessing and training surgical *** learning algorithms are commonly used to analyze and evaluate the performance of ***,their interpretability limits the personalization of the training for individual *** Seventy-nine participants were recruited and divided into three groups based on their skill level in intracranial tumor *** on the use of surgical tools were collected using a surgical *** selection was performed using the Minimum Redundancy Maximum Relevance and SVM-RFE algorithms to obtain the final metrics for training the machine learning *** machine learning algorithms were trained to predict the skill level,and the support vector machine performed the best,with an accuracy of 92.41%and Area Under Curve value of *** machine learning model was interpreted using Shapley values to identify the important factors contributing to the skill level of each *** This study demonstrates the effectiveness of machine learning in differentiating the evaluation and training of virtual reality neurosurgical *** use of Shapley values enables targeted training by identifying deficiencies in individual *** This study provides insights into the use of machine learning for personalized training in virtual reality *** interpretability of the machine learning models enables the development of individualized training *** addition,this study highlighted the potential of explanatory models in training external skills.

关键词： Machine learning Neurosurgery Shapley values Virtual reality Human-robot interaction

Advances in bio-inspired electrocatalysts for clean energy future

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Nano Research 2024年第2期17卷 515-533页

作者： Jing-Wen Duan Mu Min-Rui Gao Division of nanomaterials&Chemistry Hefei National Laboratory for Physical Sciences at the MicroscaleDepartment of ChemistryUniversity of Science and Technology of ChinaHefei 230026China

Electrocatalysis can enable efficient energy storage and conversion and thus is an effective way to achieve carbon *** unique structure and function of organisms can offer many ideas for the design of electrocatalysts,which has become one of the most promising research ***,the understanding of the mechanism of bio-inspired electrocatalysis has become clearer,which has promoted the design of bio-inspired catalysts and catalytic *** bio-inspired catalysts(enzyme-like catalysts,layered porous catalysts,superhydrophobic/superhydrophilic surfaces,and so on)have been developed to enable efficient electrocatalytic ***,we discuss the key advances in the field of bio-inspired electrocatalysts progressed in recent ***,the role of bio-inspiration in increasing the intrinsic activity and number of active sites of catalysts is ***,the structure and mechanism of layered porous catalytic systems that mimic biological transport systems are comprehensively ***,the design of three-phase interfaces from micro-nanoscale to atomic scale is highlighted,including the wettability of the electrode surface and the transport system near the *** conclude the review by identifying challenges in bio-inspired electrocatalysts and providing insights into future prospects for the exciting research field.

关键词： bio-inspired electrocatalysts active sites layered porous structure three-phase interface

Hydrologic Response to Future Climate Change in the Dulong-Irra-waddy River Basin Based on Coupled Model Intercomparison Project 6

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Chinese Geographical Science 2024年第2期34卷 294-310页

作者： XU Ziyue MA Kai YUAN Xu HE Daming Institute of International Rivers and Eco-security Yunnan UniversityKunming 650500China yunnan key laboratory of International Rivers and Transboundary Eco-security Kunming 650500China

Within the context of the Belt and Road Initiative(BRI)and the China-Myanmar Economic Corridor(CMEC),the Dulong-Ir-rawaddy(Ayeyarwady)River,an international river among China,India and Myanmar,plays a significant role as both a valuable hydro-power resource and an essential ecological ***,the water resources and security exhibit a high degree of vulnerabil-ity to climate change *** research evaluates climate impacts on the hydrology of the Dulong-Irrawaddy River Basin(DIRB)by using a physical-based hydrologic *** crafted future climate scenarios using the three latest global climate models(GCMs)from Coupled Model Intercomparison Project 6(CMIP6)under two shared socioeconomic pathways(SSP2-4.5 and SSP5-8.5)for the near(2025-2049),mid(2050-2074),and far future(2075-2099).The regional model using MIKE SHE based on historical hydrologic processes was developed to further project future streamflow,demonstrating reliable performance in streamflow simulations with a val-idation Nash-Sutcliffe Efficiency(NSE)of *** showed that climate change projections showed increases in the annual precip-itation and potential evapotranspiration(PET),with precipitation increasing by 11.3%and 26.1%,and PET increasing by 3.2%and 4.9%,respectively,by the end of the century under SSP2-4.5 and *** changes are projected to result in increased annual streamflow at all stations,notably at the basin’s outlet(Pyay station)compared to the baseline period(with an increase of 16.1%and 37.0%at the end of the 21st century under SSP2-4.5 and SSP5-8.5,respectively).Seasonal analysis for Pyay station forecasts an in-crease in dry-season streamflow by 31.3%-48.9%and 22.5%-76.3%under SSP2-4.5 and SSP5-8.5,respectively,and an increase in wet-season streamflow by 5.8%-12.6%and 2.8%-33.3%,***,the magnitude and frequency of flood events are pre-dicted to escalate,potentially impacting hydropower production and food security *** res

关键词： climate change hydrologic response Coupled Model Intercomparison Project 6(CMIP6) MIKE SHE(Système Hydrologique Europeén) Dulong-Irrawaddy River Basin

Polynomial-Time key-Recovery Attacks Against NTRURe Encrypt from ASIACCS'15

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Journal of Systems Science & Complexity 2024年第3期37卷 1308-1325页

作者： LIU Zhen PAN Yanbin ZHENG Jinwei School of Cyber Science and technology Hubei Key Laboratory of Applied MathematicsHubei UniversityWuhan 430062China key laboratory of Mathematics Mechanization Academy of Mathematics and Systems ScienceChinese Academy of SciencesBeijing 100190China School of Mathematical Sciences University of Chinese Academy of SciencesBeijing 100190China

In ASIACCS 2015, Nu nez, et al. proposed a proxy re-encryption scheme, named NTRURe Encrypt, based on NTRU, which allows a proxy to translate ciphertext under the delegator’s public key into a re-encrypted ciphertext that can be decrypted correctly by delegatee’s private key. Because of the potential resistance to quantum algorithm, high efficiency and various applications in real life,NTRURe Encrypt has drawn lots of attention and its security has been widely discussed and *** PQCrypto2019, Liu, et al. proposed two key recovery attacks against it. However, their first attack heavily relies on a weaken decryption oracle, and the second attack needs to collect about 260ciphertexts from the same message by theoretical analysis, which makes both of the attacks unrealistic. In this paper, inspired by the broadcast attack against NTRU, the authors find out that for NTRURe Encrypt the delegator and the delegatee can efficiently recover each other’s private key in polynomial time without any unrealistic assumptions. In addition, the authors also show how to fix NTRURe Encrypt to resist the proposed attacks. As a by-product, the authors also show how to commit broadcast attacks against NTRU 2001 with even dg, which was thought infeasible before.

关键词： Broadcast attack key recovery NTRU NTRUReEncrypt

Constituents from leaves of Macaranga hemsleyana

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Chinese Herbal Medicines 2024年第3期16卷 481-486页

作者： Joseph Sakah Kaunda Jia Liu Yaojun Xu Yuansi Chen Chenfang Yue Xingjie Zhang Ruihan Zhang Muhammad Amin Weilie Xiao Hongliang Li Xiaoli Li key laboratory of Medicinal Chemistry for Natural Resource Ministry of EducationYunnan Characteristic Plant Extraction LaboratoryYunnan Provincial Center for Research&Development of Natural ProductsState Key Laboratory for Conservation and Utilization of Bio-Resources in YunnanSchool of PharmacySchool of MedicineChemical Science and TechnologyYunnan UniversityKunming 650500China yunnan key laboratory of Pharmacology for Natural Products Haiyuan CollegeKunming Medical UniversityKunming 650500China

Objective:To study constituents of the leaves of Macaranga hemsleyana,and evaluate their inhibitory effects against NOD-like receptor thermal protein domain associated protein 3(NLRP3)inflammasome activation,and antiproliferative ***:The constituents were isolated and purified by column chromatography on MCI gel CHP20P/P120,silica gel,Sephadex LH-20,and *** structures of compounds were determined by 1D,2D NMR,and HR-ESI-MS *** inhibitory effect of compounds on inflammasome activation was determined by lactate dehydrogenase(LDH)*** antiproliferative activity was evaluated using MTT ***:The study led to the isolation of 23 compounds,including one new compound,identified as(2Z)-3-[4-(β-D-glucopyranosyloxy)-2′-hydroxy-5′-methoxyphenyl]-2-propenoic acid(1),together with 22 known compounds recognized as 1,4-dihydro-4-oxo-3-pyridinecarbonitrile(2),methyl 4-methoxynicotinate(3),4-methoxynicotinonitrile(4),1-(3-O-β-D-glucopyranosyl-4,5-dihydroxyphenyl)-ethanone(5),neoisoastilbin(6),isoastilbin(7),aromadendrin(8),neoastilbin(9),astilbin(10),quercitrin(11),neoschaftoside(12),apigenin 6,8-bis-C-α-L-arabinoside(13),vitexin(14),bergenin(15),scopoletin(16),glucopyranoside salicyl(17),koaburside(18),benzylβ-D-glucoside(19),icariside B5(20),roseoside(21),loliolide(22),and adenosine(23).The tested compounds did not show LDH inhibition nor antiproliferative ***:Compound 1 was a new *** 2 and 3 were obtained for the first time from natural *** 22 known compounds constituted of alkaloids(2–4,23),phenolics(5,15,17,18),flavonoids(6–14),coumarin(16),benzyl glycoside(19),and norsesquiterpenes(20–22).All the compounds,1–23,were revealed from *** for the first *** is the initial uncovering of molecules 1–10,12,13,17–19,and 23 from the genus *** isolated compounds,11,14–16,and 20–22 established taxonomic classification of *** in Euphorbiaceae *** were outstanding as

关键词： antiproliferative activity chemotaxonomic significance flavonoids glycoside Macaranga hemsleyana Pax et Hoffm NLRP3 inflammasome

Goaf risk prediction based on IAOA-SVM and numerical simulation:A case study

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Underground Space 2024年第2期15卷 153-175页

作者： Mingliang Li Kegang Li Yuedong Liu Shunchuan Wu Qingci Qin Rui Yue Faculty of Land Resources Engineering Kunming University of Science and TechnologyKunming 650093China yunnan key laboratory of Sino-German Blue Mining and Utilization of Special Underground Space Kunming 650093China yunnan Diqing Mining Co.Ltd. Shangrila 674400China

In regard to goaf risk prediction,due to the low accuracy and single prediction method,this study proposes a method that combines the improved arithmetic optimization algorithm(IAOA)–support vector machines(SVM)with GoCAD–FLAC^(3D)numerical ***,goaf risk is comprehensively *** the perspectives of geological and engineering conditions,eight factors that affect goaf stability and 176 sets of sample data were *** utilized eight influencing factors such as rock mass structure,geological structure,and goaf burial depth as inputs,and the goaf risk level as the ***,an IAOA–SVM goaf risk prediction model was *** 30 goaf areas of Yangla Copper Mine in yunnan Province were selected as the research ***,the rationality of mechanical parameter values in the numerical model was verified using the parameter inversion ***,based on the GoCAD–FLAC^(3D)numerical simulation method,the goaf risk analysis in Yangla Copper Mine was ***,using numerical simulation verification,the goaf filling effect was ***,the prediction results of the IAOA–SVM model were compared with that of other intelligent *** results indicate that the numerical simulation results of the GoCAD–FLAC^(3D)model are consistent with those of IAOA–SVM and the actual results,which further verifies the effectiveness and superiority of the IAOA–SVM prediction ***,an innovative approach for goaf risk prediction is developed.

关键词： Rock mechanics Goaf risk prediction IAOA SVM Numerical simulation

Model reduction of fractional impedance spectra for time–frequency analysis of batteries, fuel cells, and supercapacitors

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Carbon Energy 2024年第1期6卷 108-141页

作者： Weiheng Li Qiu-An Huang Yuxuan Bai Jia Wang Linlin Wang Yuyu Liu Yufeng Zhao Xifei Li Jiujun Zhang Institute for Sustainable Energy/College of Sciences Shanghai UniversityShanghaiChina Shanxi key laboratory of nanomaterials and Nanotechnology School of Mechanical and Electrical EngineeringXi'an University of Architecture and TechnologyXi'anShaanxiChina Xi'an key laboratory of New Energy Materials and Devices School of Materials Science and EngineeringInstitute of Advanced Electrochemical EnergyXi'an University of TechnologyXi'anShaanxiChina

Joint time–frequency analysis is an emerging method for interpreting the underlying physics in fuel cells,batteries,and *** increase the reliability of time–frequency analysis,a theoretical correlation between frequency-domain stationary analysis and time-domain transient analysis is urgently *** present work formularizes a thorough model reduction of fractional impedance spectra for electrochemical energy devices involving not only the model reduction from fractional-order models to integer-order models and from high-to low-order RC circuits but also insight into the evolution of the characteristic time constants during the whole reduction *** following work has been carried out:(i)the model-reduction theory is addressed for typical Warburg elements and RC circuits based on the continued fraction expansion theory and the response error minimization technique,respectively;(ii)the order effect on the model reduction of typical Warburg elements is quantitatively evaluated by time–frequency analysis;(iii)the results of time–frequency analysis are confirmed to be useful to determine the reduction order in terms of the kinetic information needed to be captured;and(iv)the results of time–frequency analysis are validated for the model reduction of fractional impedance spectra for lithium-ion batteries,supercapacitors,and solid oxide fuel *** turn,the numerical validation has demonstrated the powerful function of the joint time–frequency *** thorough model reduction of fractional impedance spectra addressed in the present work not only clarifies the relationship between time-domain transient analysis and frequency-domain stationary analysis but also enhances the reliability of the joint time–frequency analysis for electrochemical energy devices.

关键词： battery,fuel cell,supercapacitor fractional impedance spectroscopy model reduction time-frequency analysis