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Constant charge method or constant potential method:Which is better for molecular modeling of electrical double layers?

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Journal of Energy Chemistry 2024年第7期94卷 54-60页

作者： liang Zeng Xi Tan Xiangyu Ji Shiqi li Jinkai Zhang Jiaxing Peng sheng bi Guang Feng State Key Laboratory of Coal Combustion Schoolof Energy and PowerEngineeringHuazhong Universityof Science and Technology(HUST)Wuhan 430074HubeiChina Sorbonne Universite CNRSPhysico-chimie des Electrolytes et Nanosystemes InterfaciauxPHENIXF-75005 ParisFrance

In molecular modeling of electrical double layers(EDLs),the constant charge method(CCM)is prized for its computational efficiency but cannot maintain electrode equipotentiality like the more resourceintensive constant potential method(CPM),potentially leading to *** certain scenarios,CCM can yield results identical to ***,there are no clear guidelines to determine when CCM is sufficient and when CPM is ***,we conduct a series of molecular simulations across various electrodes and electrolytes to present a comprehensive comparison between CCM and CPM under different charging *** reveal that CCM approximates CPM effectively in capturing equilibrium EDL and current-driven dynamics in open electrode systems featuring ionic liquids or regular concentration aqueous electrolytes,while CPM is indispensable in scenarios involving organic and highly concentrated aqueous electrolytes,nanoconfinement effects,and voltage-driven *** work helps to select appropriate methods for modeling EDL systems,prioritizing accuracy while considering computationalefficiency.

关键词： Electrochemical interface Molecular dynamics Electrode polarization modeling Nanoconfinement effect

Recent Advances in Deciphering the Mechanisms and biological Functions of DNA Demethylation

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Chinese Journal of Chemistry 2024年第6期42卷 645-651页

作者： Yang Feng sheng-Jun Chen bi-Feng Yuan Key Laboratory of Aquatic Product Processing Ministry of Agriculture and Rural AffairsNational R&D Center for Aquatic Product ProcessingSouth China Sea Fisheries Research InstituteChinese Academy of Fishery SciencesGuangzhouGuangdong510300 China School of Public Health Research Center of Public HealthRenmin Hospital of Wuhan UniversityWuhan UniversityWuhanHubei430071 China

5-Methylcytosine (5mC) is a dynamic and reversible epigenetic modification in genomic DNA of higher *** has been well-established that the demethylation of 5mC occurs through the ten-eleven translocation (TET)-mediated oxidation of 5mC followed by thymine DNA glycosylase (TDG)-initiated base excision repair (BER).Recent findings also have identified an alternative pathway of DNA *** this pathway,TET enzymes directly oxidize 5mC to form 5-formylcytosine (5fC) or 5-carboxylcytosine (5caC).These modified bases can undergo direct deformylation or decarboxylation,***,DNA demethylation can also occur through the deamination of 5mC and 5hmC,resulting in the production of thymine and 5-hydroxymethyluracil (5hmU),*** DNA demethylation pathways possess critical functional implications and roles in biological *** Recent Advances article will focus on the studies of mechanisms and biological functions of DNA demethylation,shedding light on the reversible nature of the epigenetic modification of 5mC.

关键词： Epigenetics DNA DNA methylation 5-Methylcytosine Demethylation Mechanisms biological functions C—C bond cleavage Mass spectrometry

Early changes in corneal densitometry after FS-LASIK combined with accelerated corneal cross-linking for correction of high myopia

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International Journal of Ophthalmology(English edition) 2024年第7期17卷 1307-1312页

作者： Qing-Bao Wang Hong-sheng bi Xiao-Fan Wang Hua Fan li li Peng Ji Shandong University of Traditional Chinese Medicine Jinan 250014Shandong ProvinceChina Affiliated Eye Hospital of Shandong University of Traditional Chinese Medicine Shandong Clinical Medicine Research CenterJinan 250002Shandong ProvinceChina Shandong Academy of Eye Disease Prevention and Therapy Shandong Provincial Key Laboratory of Integrated Traditional Chinese and Western Medicine for Prevention and Therapy of Ocular DiseasesJinan 250002Shandong ProvinceChina

AIM:To observe the effects of femtosecond laserassisted excimer laser in situ keratomileusis combined with accelerated corneal cross-linking(FS-LASIK Xtra)on corneal densitometry after correcting for high ***:In this prospectively study,130 patients underwent FS-LASIK or FS-LASIK Xtra for high *** right eyes were selected for inclusion in the study,of which 65 cases of 65 eyes in the FS-LASIK group,65 patients with 65 eyes in the FS-LASIK Xtra *** were evaluated for corneal densitometry at 1,3,and 6mo postoperatively using Pentacam Scheimpflug ***:Preoperative differences in corneal densitometry between the FS-LASIK and FS-LASIK Xtra groups in different ranges were not statistically significant(P>0.05).Layer-by-layer analysis revealed statistically significant differences in the anterior(120μm),central,and total layer corneal densitometry between the FS-LASIK and FS-LASIK Xtra groups at 1 and 3mo postoperatively(all P0.05).CONCLUSION:There is an increase in internal corneal densitometry during the early postoperative period after FS-LASIK Xtra for correction of high ***,the densitometry values decreased to the level of conventional FS-LASIK at 6mo after surgery,with the most significant changes observed in the superficial central zone.

关键词： femtosecond laser accelerated corneal cross-linking corneal densitometry high myopia femtosecond laser in situ keratomileusis

Long Non-coding RNA PCED1B Antisense RNA 1 Promotes Cell Proliferation and Invasion in Hepatocellular Carcinoma by Regulating the MicroRNA-34a/CD44 Axis

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Current Medical Science 2024年第3期44卷 503-511页

作者： Jian-gang bi Qi li Yu-sheng GUO li-ping liU Shi-yun BAO Ping XU Department of Hepatobiliary and Pancreatic Surgery Shenzhen People's HospitalThe Second Clinical Medical CollegeJinan UniversityThe First Affiliated HospitalSouthern University of Science and TechnologyShenzhen 518020China Department of Endocrinology Shenzhen People's HospitalThe Second Clinical Medical CollegeJinan UniversityThe First Affiliated HospitalSouthern University of Science and TechnologyShenzhen 518020China

Objective This study aimed to examine the role of long non-coding RNA PCED1B antisense RNA 1(PCED1B-AS1)in the development of hepatocellular carcinoma(HCC).Methods A total of 62 pairs of HCC tissues and adjacent non-tumor tissues were obtained from 62 HCC *** interactions of PCED1B-AS1 and microRNA-34a(miR-34a)were detected by dual luciferase activity assay and RNA pull-down *** RNA expression levels of PCED1B-AS1,miR-34a and CD44 were detected by RT-qPCR,and the protein expression level of CD44 was determined by Western *** cell proliferation was detected by cell proliferation assay,and the cell invasion and migration by transwell invasion *** HCC tumor growth after PCED1B-AS1 was downregulated was determined by in vivo animal *** PCED1B-AS1 was highly expressed in HCC tissues,which was associated with poor survival of HCC ***,PCED1B-AS1 interacted with miR-34a in HCC cells,but they did not regulate the expression of each ***,PCED1B-AS1 increased the expression level of CD44,which was targeted by *** cell proliferation and invasion assay revealed that miR-34a inhibited the proliferation and invasion of HCC in vitro,while CD44 exhibited the opposite ***,PCED1B-AS1 suppressed the role of ***,the knockdown of PCED1B-AS1 repressed the HCC tumor growth in nude mice in *** PCED1B-AS1 may play an oncogenic role by regulating the miR-34a/CD44 axis in HCC.

关键词： long non-coding RNA PCED1B antisense RNA 1(PCED1B-AS1) hepatocellular carcinoma microRNA-34a(miR-34a) CD44 proliferation invasion

Expression and Purification of Recombinant Hepatitis Delta Virus(HDV) Antigen for Use in a Diagnostic EliSA for HDV Infection Using the High-Density Fermentation Strategy in Escherichia coli

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biomedical and Environmental Sciences 2016年第6期29卷 417-423页

作者： LU Xue Xin YI Yao SU Qiu Dong bi sheng li National Institute for Viral Disease Control and Prevention Chinese Center for Disease Control and Prevention

Objective Hepatitis Delt a Virus（HDV） antigen is widely used as a capture antigen in EliSAs for the identification of HDV infection; large amounts of recombinant HDV antigen with active antigenicity are required for this purpose. Methods Reconstruct the gene of HDV antigen based on the bias code of Escherichia coli, the recombinant protein expresses by high-density fermentation with fed-batch feeding strategy, and purify by immobilized metal chromatography. The sensitivity and specificity of this antigen detect by EliSA method. Results The expression of HDV antigen can reach 20% of the total cell mass in the soluble form. The recombinant HDV antigen can be conveniently purified（98%） by immobilized metal ion affinity chromatography（IMAC） using the interaction between a His-tag and nickel ions. Production of recombinant HDV antigen can reach 0.5 g/L under conditions of high-density cell fermentation. Applied to the diagnostic EliSA method, the recombinant HDV antigen shows excellent sensitivity（97% for IgM and 100% for IgG） and specificity（100% for IgG and IgM） for the detection of anti-HDV antibodies. Conclusion Expression and purification the recombinant HDV antigen as a candidate protein for application in a diagnostic EliSA for HDV infection. Large-scale production of the protein can be achieved using the high-density fermentation strategy.

关键词： EliSA diagnosis, HDV High-density cell fermentation IMAC

Segment Anything Is Not Always Perfect: An Investigation of SAM on Different Real-world Applications

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Machine Intelligence Research 2024年第4期21卷 617-630页

作者： Wei Ji Jingjing li Qi bi Tingwei liu Wenbo li li Cheng University of Alberta Edmonton T6G 2R3Canada Wuhan University Wuhan 430072China Dalian University of Technology Dalian 116024China Samsung Research America Mountain View 94043USA

Recently,Meta AI Research approaches a general,promptable segment anything model(SAM)pre-trained on an unprecedentedly large segmentation dataset(SA-1B).Without a doubt,the emergence of SAM will yield significant benefits for a wide array of practical image segmentation *** this study,we conduct a series of intriguing investigations into the performance of SAM across various applications,particularly in the fields of natural images,agriculture,manufacturing,remote sensing and *** analyze and discuss the benefits and limitations of SAM,while also presenting an outlook on its future development in segmentation *** doing so,we aim to give a comprehensive understanding of SAM's practical *** work is expected to provide insights that facilitate future research activities toward generic *** code is publicly available at https://***/liuTingWed/SAM-Not-Perfect.

关键词： Segment anything model(SAM) visual perception segmentation foundational model computer vision.

Incorporating contextual evidence to improve implicit discourse relation recognition in Chinese

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Frontiers of Computer Science 2024年第3期18卷 91-104页

作者： sheng XU Peifeng li Qiaoming ZHU School of Computer Science and Technology Soochow UniversitySuzhou 215000China

The discourse analysis task,which focuses on understanding the semantics of long text spans,has received increasing attention in recent *** a critical component of discourse analysis,discourse relation recognition aims to identify the rhetorical relations between adjacent discourse units(e.g.,clauses,sentences,and sentence groups),called arguments,in a *** works focused on capturing the semantic interactions between arguments to recognize their discourse relations,ignoring important textual information in the surrounding ***,in many cases,more than capturing semantic interactions from the texts of the two arguments are needed to identify their rhetorical relations,requiring mining more contextual *** this paper,we propose a method to convert the RST-style discourse trees in the training set into dependency-based trees and train a contextual evidence selector on these transformed *** this way,the selector can learn the ability to automatically pick critical textual information from the context(i.e.,as evidence)for arguments to assist in discriminating their *** we encode the arguments concatenated with corresponding evidence to obtain the enhanced argument ***,we combine original and enhanced argument representations to recognize their *** addition,we introduce auxiliary tasks to guide the training of the evidence selector to strengthen its selection *** experimental results on the Chinese CDTB dataset show that our method outperforms several state-of-the-art baselines in both micro and macro F1 scores.

关键词： discourse parsing discourse relation recognition contextual evidence selection

Traveling Wave Characteristics Based Pilot Protection Scheme for Hybrid Cascaded HVDC Transmission line

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Journal of Modern Power Systems and Clean Energy 2024年第3期12卷 971-980页

作者： Dalin Mu sheng lin Xiaopeng li the School of Electrical Engineering Southwest Jiaotong UniversityChengdu 611756China the State Grid Sichuan Electric Power Research Institute Chengdu 610041China

The hybrid cascaded high-voltage direct current(HVDC)transmission system has various operation modes,and some operation modes have sharply increasing requirements for protection rapidity,while the traditional pilot differential protection(PDP)has poor rapidity,and even refuses to operate when faults occur on the DC ***,a novel pilot protection scheme based on traveling wave characteristics is ***,the adaptability of the traditional PDP applied in engineering is analyzed for different operation ***,the expressions of the forward traveling wave(FTW)and backward traveling wave(BTW)on the rectifier side and the inverter side are derived for different fault *** the theoretical derivation,the difference between the BTW and FTW on the rectifier side is less than zero,and the same is true on the inverter ***,in the event of an external fault of DC line,the difference between the BTW and FTW at nearfault terminal protection installation point is greater than ***,by summing over the product of the difference between BTW and FTW of the rectifier side and that of the inverter side,the fault identification criterion is *** simulation results show that the proposed pilot protection scheme can quickly and reliably identify the short-circuit faults of DC line in different operation modes.

关键词： Hybrid cascaded high-voltage direct current(HVDC)transmission system DC line operation mode pilot protection

Sparse Adversarial Learning for FDIA Attack Sample Generation in Distributed Smart

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Computer Modeling in Engineering & Sciences 2024年第5期139卷 2095-2115页

作者： Fengyong li Weicheng Shen Zhongqin bi Xiangjing Su College of Computer Science and Technology Shanghai University of Electric PowerShanghai201306China College of Electrical Engineering Shanghai University of Electric PowerShanghai201306China

False data injection attack(FDIA)is an attack that affects the stability of grid cyber-physical system(GCPS)by evading the detecting mechanism of bad *** FDIA detection methods usually employ complex neural networkmodels to detect FDIA ***,they overlook the fact that FDIA attack samples at public-private network edges are extremely sparse,making it difficult for neural network models to obtain sufficient samples to construct a robust detection *** address this problem,this paper designs an efficient sample generative adversarial model of FDIA attack in public-private network edge,which can effectively bypass the detectionmodel to threaten the power grid system.A generative adversarial network(GAN)framework is first constructed by combining residual networks(ResNet)with fully connected networks(FCN).Then,a sparse adversarial learning model is built by integrating the time-aligned data and normal data,which is used to learn the distribution characteristics between normal data and attack data through iterative ***,we introduce a Gaussian hybrid distributionmatrix by aggregating the network structure of attack data characteristics and normal data characteristics,which can connect and calculate FDIA data with normal ***,efficient FDIA attack samples can be sequentially generated through interactive adversarial *** simulation experiments are conducted with IEEE 14-bus and IEEE 118-bus system data,and the results demonstrate that the generated attack samples of the proposed model can present superior performance compared to state-of-the-art models in terms of attack strength,robustness,and covert capability.

关键词： Distributed smart grid FDIA adversarial learning power public-private network edge