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Molecular dynamics-driven exploration of peptides targeting SARS-CoV-2,with special attention on ACE2,S protein,M^(pro),and PL^(pro):A review

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BIOCELL 2023年第8期47卷 1727-1742页

作者： MOHAMAD ZULKEFLEE SABRI JOANNA BOJARSKA fai-CHU wong TSUN-THAI CHAI Green Chemistry and Sustainable Technology Cluster Bioengineering SectionUniversiti Kuala LumpurMalaysian Institute of Chemical and Bioengineering Technology(UniKL MICET)Alor Gajah78000Malaysia Institute of General and Ecological Chemistry Faculty of ChemistryLodz University of TechnologyLodz90-924Poland Department of Chemical Science Faculty of ScienceUniversiti Tunku Abdul RahmanKampar31900Malaysia Center for Agriculture and Food Research Universiti Tunku Abdul RahmanKampar31900Malaysia

Molecular dynamics(MD)simulation is a computational technique that analyzes the movement of a system of particles over a given *** can provide detailed information about the fluctuations and conformational changes of biomolecules at the atomic level over *** recent years,MD has been widely applied to the discovery of peptides and peptide-like molecules that may serve as severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)*** review summarizes recent advances in such explorations,focusing on four protein targets:angiotensin-converting enzyme 2(ACE2),spike protein(S protein),main protease(M^(pro)),and papain-like protease(PL^(pro)).These four proteins are important druggable targets of SARS-CoV-2 because of their roles in viral entry,maturation,and infectivity of the virus.A review of the literature revealed that ACE2,S protein,and M^(pro) have received more attention in MD research than PL^(pro).Inhibitors of the four targets identified by MD simulations included peptides derived from food and other bioresources,peptides designed using the targets as templates,and peptide-like molecules retrieved from *** of the inhibitors have yet to be validated in experimental assays for ***,the role of MD simulation as an efficient tool in the early stages of anti-SARS-CoV-2 drug discovery agents has been demonstrated.

关键词： COVID-19 Anti-SARS-CoV-2 agent Receptor binding domain Computational screening Drug discovery

Suppression Strategy of Micro-waviness error in Ultra-precision Parallel Grinding

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Nanomanufacturing and Metrology 2022年第4期5卷 423-429页

作者： Shanshan Chen Shuming Yang Chi fai Cheung Lai Ting ho Feihu Zhang Xi’an Jiaotong University 28 Xianning West RoadXi’an710049China Research Institute of Xi’an Jiaotong University ZhejiangHangzhou311215China The hong Kong Polytechnic University Hung HomKowloon999077Hong KongChina Harbin Institute of Technology Harbin150001China

Ultra-precision parallel grinding is widely used in the machining of complex optic components with high tolerance and excellent surface ***,the micro-waviness raised from the relative motion error of the grinding tool is frequently involved in the grinding process despite the fine dressing and dynamic balance work carried out,which posed a remarkable impact on the surface quality and form ***,it is essential to investigate the evolution mechanism of the micro-waviness error and determine a relevant strategy to suppress this kind of *** this paper,a model of the distribution of grinding points corresponding to the relative motion error of the grinding wheel is developed by considering the phase effect.A close relationship is found between the micro-waviness geometry and the distribution of grinding *** indicates that the phase shift is a significant parameter to determine the waviness pattern,and the uniform distribution of grinding points is beneficial to suppress the micro-waviness in parallel ***,an error-suppression strategy is proposed by adjusting the wheel speed to maintain an appropriate phase shift to suppress the micro-waviness *** work provides a new method to control the micro-waviness and reduce the effect of the waviness error on the surface generation.

关键词： Suppression strategy Micro-waviness Motion error Parallel grinding

Transfusion-transmitted hepatitis E:What we know so far?

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World Journal of Gastroenterology 2022年第1期28卷 47-75页

作者： Carmen Ka Man Cheung Sunny Hei wong Alvin Wing Hin Law Man fai Law Medicine and Therapeutics Prince of Wales HospitalHong Kong 852China Institute of Digestive Disease and Department of Medicine and Therapeutics the Chinese University of Hong KongHong Kong 852China Lee Kong Chian School of Medicine Nanyang Technological UniversitySingapore 639798Singapore West Island School Hong Kong 852China

Hepatitis E virus(HEV)is a major cause of viral hepatitis *** is growing concern about transfusion-transmitted HEV(TT-HEV)as an emerging global health *** can potentially result in chronic infection in immunocompromised patients,leading to a higher risk of liver cirrhosis and even *** 0.0013%and 0.281%of asymptomatic blood donors around the world have HEV viremia,and 0.27%to 60.5%have anti-HEV immunoglobulin *** is infectious even at very low blood concentrations of the *** patients who develop persistent hepatitis E infection should have their immunosuppressant regimen reduced;ribavirin may be considered as *** interferon can be considered in those who are refractory or intolerant to ***,a nucleotide analog,showed modest antiviral activity in some clinical studies but sustained viral response was not ***,rescue treatment remains an unmet *** need for HEV screening of all blood donations remains *** screening has been adopted in some countries after consideration of risk and resource *** pathogen reduction methods have also been proposed to reduce the risk of *** studies are needed to define the incidence of transmission through transfusion,their clinical features,outcomes and prognosis.

关键词： Hepatitis E virus Acute and chronic hepatitis Immunosuppression Blood transfusion Transplantation

FPD Net:Feature Pyramid DehazeNet

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Computer Systems Science & Engineering 2022年第3期40卷 1167-1181页

作者： Shengchun Wang Peiqi Chen Jingui Huang Tsz ho wong College of Information Science and Engineering Hunan Normal UniversityChangsha410081China Blackmagic Design RowvilleVIC3178Australia

We propose an end-to-end dehazing model based on deep learning(CNN network)and uses the dehazing model re-proposed by AOD-Net based on the atmospheric scattering model for *** to the previously proposed dehazing network,the dehazing model proposed in this paper make use of the FPN network structure in the field of target detection,and uses five feature maps of different sizes to better obtain features of different proportions and different sub-regions.A large amount of experimental data proves that the dehazing model proposed in this paper is superior to previous dehazing technologies in terms of PSNR,SSIM,and subjective visual *** addition,it achieved a good performance in speed by using EfficientNet B0 as a feature *** find that only using high-level semantic features can not effectively obtain all the information in the *** FPN structure used in this paper can effectively integrate the high-level semantics and the low-level semantics,and can better take into account the global and local *** five feature maps with different sizes are not simply weighted and *** order to keep all their information,we put them all together and get the final features through decode *** the same time,we have done a comparative experiment between ResNet with FPN and EfficientNet with *** is proved that EfficientNet with BiFPN can obtain image features more ***,EfficientNet with BiFPN is chosen as our network feature extraction.

关键词： Deep learning dehazing image restoration

Lycium barbarum extract promotes M2 polarization and reduces oligomeric amyloid-β-induced inflammatory reactions in microglial cells

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Neural Regeneration Research 2022年第1期17卷 203-209页

作者： Zhong-Qing Sun Jin-Feng Liu Wei Luo Ching-Hin wong Kwok-fai So Yong Hu Kin Chiu Department of Ophthalmology Li Ka Shing Faculty of MedicineThe University of Hong KongHong Kong Special Administrative RegionChina State Key Laboratory of Brain and Cognitive Sciences The University of Hong KongHong Kong Special Administrative RegionChina Guangdong-hong Kong-Macao Institute of CNS Regeneration Jinan UniversityGuangzhouGuangdong ProvinceChina Department of Orthopaedics&Traumatology The University of Hong KongHong Kong Special Administrative RegionChina

Lycium barbarum(LB)is a traditional Chinese medicine that has been demonstrated to exhibit a wide variety of biological functions,such as antioxidation,neuroprotection,and immune *** of the main mechanisms of Alzheimer’s disease is that microglia activated by amyloid beta(Aβ)transform from the resting state to an M1 state and release pro-inflammatory cytokines to the surrounding *** the present study,immortalized microglial cells were pretreated with *** extract for 1 hour and then treated with oligomeric Aβfor 23 *** results showed that LB extract significantly increased the survival of oligomeric Aβ-induced microglial cells,downregulated the expression of M1 pro-inflammatory markers(inducible nitric oxide synthase,tumor necrosis factorα,interleukin-6,and interleukin-1β),and upregulated the expression of M2 anti-inflammatory markers(arginase-1,chitinase-like protein 3,and interleukin-4).LB extract also inhibited the oligomeric Aβ-induced secretion of tumor necrosis factorα,interleukin-6,and interleukin-1βin microglial *** results of in vitro cytological experiments suggest that,in microglial cells,LB extract can inhibit oligomeric Aβ-induced M1 polarization and concomitant inflammatory reactions,and promote M2 polarization.

关键词： Alzheimer’s disease amyloid-β anti-inflammatory factors Lycium barbarum extract M1 microglia M2 microglia neuroinflammation proinflammatory factors

Relative trust and tax morale

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Economic and Political Studies 2023年第3期11卷 400-418页

作者： Eva Matthaei ho fai Chan Charlotte Schmidt Benno Torgler School of Business&Economics Freie Universitat BerlinBerlinGermany Centre for Behavioural Economics Society&Technology(BEST)School of Economics and FinanceQueensland University of TechnologyBrisbaneAustralia Institute of Political Science and Sociology Julius-Maximilians-Universitat WurzburgWurzburgGermany Centre for Research in Economics Management and the Arts(CREMA)ZurichSwitzerland

This paper investigates the importance of trust in international institutions for the development of tax morale by focussing on interactions between trust in the national government and trust in the European Union(EU)or trust in the United Nations(UN).Using large-scale survey data from European countries,we provide evidence that all three trust variables are significantly related to the individual level of tax ***,the results regarding trust in the EU and the UN are very similar,while trust in the national government appears to be the main factor in driving tax ***,depending on the national context,trust in the national government interacts differently with trust in different international institutions with respect to the shaping of tax morale.

关键词： Trust tax morale international organisations European Union United Nations

CLGA Net:Cross Layer Gated Attention Network for Image Dehazing

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Computers, Materials & Continua 2023年第3期74卷 4667-4684页

作者： Shengchun Wang Baoxuan Huang Tsz ho wong Jingui Huang hong Deng Hunan Normal University Changsha410006China Z-emotion Pty Ltd. Victoria3178Australia

In this paper,we propose an end-to-end cross-layer gated attention network(CLGA-Net)to directly restore fog-free *** with the previous dehazing network,the dehazing model presented in this paper uses the smooth cavity convolution and local residual module as the feature extractor,combined with the channel attention mechanism,to better extract the restored features.A large amount of experimental data proves that the defogging model proposed in this paper is superior to previous defogging technologies in terms of structure similarity index(SSIM),peak signal to noise ratio(PSNR)and subjective visual *** order to improve the efficiency of decoding and encoding,we also describe a fusion residualmodule and conduct ablation experiments,which prove that the fusion residual is suitable for the dehazing ***,we use fusion residual as a fixed module for encoding and *** addition,we found that the traditional defogging model based on the U-net network may cause some information losses in *** have achieved effective maintenance of low-level feature information through the cross-layer gating structure that better takes into account global and subtle *** also present the application of our CLGA-Net in challenging scenarios where the best results in both quantity and quality can be *** results indicate that the present cross-layer gating module can be widely used in the same type of network.

关键词： Deep learning dehazing image restoration end to end

Source-Aware Embedding Training on Heterogeneous Information Networks

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Data Intelligence 2023年第3期5卷 611-635页

作者： Tsai hor Chan Chi ho wong Jiajun Shen Guosheng Yin Department of Statistics and Actuarial Science The University of hong Kong Hong KongChina Department of Computer Science and Engineering The hong Kong University of Science and Technology Hong KongChina TCLCorporateResearch(hong Kong)hongKong China

Heterogeneous information networks(HINs)have been extensively applied to real-world tasks,such as recommendation systems,social networks,and citation *** existing HIN representation learning methods can effectively learn the semantic and structural features in the network,little awareness was given to the distribution discrepancy of subgraphs within a single ***,we find that ignoring such distribution discrepancy among subgraphs from multiple sources would hinder the effectiveness of graph embedding learning *** motivates us to propose SUMSHINE(Scalable Unsupervised Multi-Source Heterogeneous Information Network Embedding)-a scalable unsupervised framework to align the embedding distributions among multiple sources of an *** results on real-world datasets in a variety of downstream tasks validate the performance of our method over the state-of-the-art heterogeneous information network embedding algorithms.

关键词： Heterogeneous information network Graph representation learning Distribution alignment Recommendation system Adversarial learning Graph neural network

Phenomapping approach to interpreting coronary dimensions in febrile children

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Pediatric Investigation 2022年第4期6卷 233-240页

作者： Haoxun Tang Xin Guo Xiaolu Nie Lin Zheng Gang Liu Wilfred Hing-Sang wong Yiu-fai Cheung Heart Center Beijing Children’s HospitalCapital Medical UniversityNational Center for Children’s HealthBeijingChina Department of Infectious Disease Beijing Children’s HospitalCapital Medical UniversityNational Center for Children’s HealthBeijingChina Center for Clinical Epidemiology and Evidence-based Medicine Beijing Children’s HospitalCapital Medical UniversityNational Center for Children’s HealthBeijingChina Department of Echocardiography Beijing Children’s HospitalCapital Medical UniversityNational Center for Children’s HealthBeijingChina Department of Paediatrics and Adolescent Medicine School of Clinical MedicineThe University of Hong KongHong KongChina

Importance:Coronary artery dilation may occur in febrile children with and without Kawasaki disease(KD).Objective:We explored the application of unsupervised learning algorithms in the detection of novel patterns of coronary artery phenotypes in febrile children with and without ***:A total of 239 febrile children(59 non-KD and 180 KD patients),were *** hierarchical clustering analysis of phenotypic data including age,hemoglobin,white cell count,platelet count,C-reactive protein,erythrocyte sedimentation rate,albumin,alanine aminotransferase,aspartate aminotransferase,and coronary artery z scores were ***:Using a cutoff z score of 2.5,the specificity was 98.3%and the sensitivity was 22.1%for differentiating non-KD from KD *** analysis identified three phenogroups that differed in a clinical,laboratory,and echocardiographic *** with phenogroup I,phenogroup III had the highest prevalence of KD(91%),worse inflammatory markers,more deranged liver function,higher coronary artery z scores,and lower hematocrit and albumin *** blood parameters in febrile children with z scores of coronary artery segmentshout KD identified useful laboratory parameters that aid the diagnosis of KD in febrile children with relatively normal-sized coronary arteries.

关键词： Coronary artery Febrile children Kawasaki disease Phenomapping