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Fundamental electronic structure and multiatomic bonding in 13 biocompatible high-entropy alloys

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npj Computational Materials 2020年第1期6卷 1296-1305页

作者： wai-yim ching Saro San Jamieson Brechtl Ridwan Sakidja Miqin Zhang Peter K.Liaw Department of Physics and Astronomy University of Missouri Kansas CityKansas CityMO 64110USA The Bredesen Center for Interdisciplinary Research and Graduate Education The University of TennesseeKnoxvilleTN 37996-3394USA Department of Physics Astronomy and Materials ScienceMissouri State UniversitySpringfieldMO 65897USA Department of Materials Science and Engineering The University of WashingtonSeattleWA 98195USA Department of Materials Science and Engineering The University of TennesseeKnoxvilleTN 37996-2100USA

High-entropy alloys(HEAs)have attracted great attention due to their many unique properties and potential applications.The nature of interatomic interactions in this unique class of complex multicomponent alloys is not fully developed or understood.We report a theoretical modeling technique to enable in-depth analysis of their electronic structures and interatomic bonding,and predict HEA properties based on the use of the quantum mechanical metrics,the total bond order density(TBOD)and the partial bond order density(PBOD).Application to 13 biocompatible multicomponent HEAs yields many new and insightful results,including the inadequacy of using the valence electron count,quantification of large lattice distortion,validation of mechanical properties with experiment data,modeling porosity to reduce Young’s modulus.This work outlines a road map for the rational design of HEAs for biomedical applications.

关键词： alloys bonding entropy

Resilience indices from a family of recovery functions

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Fundamental Research 2024年第1期4卷 13-20页

作者： Loon ching Tang Lijuan Shen Department of Industrial Systems Engineering and Management National University of Singapore117576 Singapore ETH Zurich Future Resilient SystemsSingapore-ETH Centre138602 Singapore

Defining and measuring resilience using a unified framework has been a topic of intense research.This article presents a perspective on how resilience could be quantitatively assessed through a set of indices.It starts with a brief explanation of resilience in the context of supply chain and a quick summary of existing quantitative measures of resilience.It then discusses how resilience could be quantified in a constructive manner so that the resulting metrics are representative of the performance throughout the system's life cycle.In particular,it is proposed that resilience should be evaluated according to different time periods,i.***.before,during and after a disruption has occurred.Four dimensions of resilience,namely reliability,robustness,recovery and reconfigurability,can then be used to make up a set of indices for resilience.For numerical illustration,these indices are computed based on recovery data arising from Hurricane Sandy in October 2012.Finally,it is postulated that resilience will be the performance metric that complements productivity and sustainability as the third pillar for measuring success of organizations,and in turn,that of sovereign countries in their quests for developing smart cities.

关键词： Systems resilience Recovery function Recovery index Robustness index Reconfigurability

Management of retroperitoneal high-grade serous carcinoma of unknown origin:A case report

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World Journal of Clinical Cases 2024年第6期12卷 1190-1195页

作者： Wen-Lin Hsieh Dah-ching Ding Department of Obstetrics and Gynecology Hualien Tzu Chi HospitalBuddhist Tzu Chi Medical FoundationTzu Chi UniversityHualien 970Taiwan Institute of Medical Sciences Tzu Chi UniversityHualien 970TaiwanTaiwan

BACKGROUND Retroperitoneal high-grade serous carcinoma(HGSC)of unknown origin is a sporadic tumor that can originate from ovarian cancer.Herein,we report the case of a woman with retroperitoneal HGSC of unknown origin and describe how she was diagnosed and treated.CASE SUMMARY A 71-year-old female presented with the tumor marker CA125 elevated to 1041.9 U/mL upon a regular health examination.Computed tomography revealed retroperitoneal lymph node enlargement.Subsequently,positron emission tomography scanning revealed lesions with increased F-18 fluorodeoxyglucose uptake at the nodes.As a result,she underwent laparoscopic lymph node resection,and pathology revealed metastatic adenocarcinoma with CK7(+),PAX8(+),WT1(+),PR(-),and p53 mutational loss of expression,indicating that the origin may be from the adnexa.The patient was admitted to our ward and underwent laparoscopic staging;however,the pathological results were negative.Under the suspicion of retroperitoneal HGSC of unknown origin,chemotherapy and targeted therapy were initiated.Tumor marker levels decreased after treatment.CONCLUSION We present a case of HGSC of unknown origin managed using retroperitoneal lymphadenectomy,staging surgery,chemotherapy,and targeted therapy.

关键词： High-grade serous carcinoma Retroperitoneum Origin Chemotherapy Lymph node Case report

Effects of SARS-CoV-2 infection on incidence and treatment strategies of hepatocellular carcinoma in people with chronic liver disease

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World Journal of Hepatology 2024年第2期16卷 211-228页

作者： Lung-Yi Mak Matthew Shing Hin Chung Xue Li Francisco Tsz Tsun Lai Eric Yuk Fai Wan Celine Sze Ling Chui Franco Wing Tak Cheng Esther wai Yin Chan ching Lung Cheung Ivan Chi Ho Au Xi Xiong wai-Kay Seto Man-Fung Yuen Carlos King Ho Wong Ian Chi Kei Wong Department of Medicine The University of Hong KongHong KongChina State Key Laboratory of Liver Research The University of Hong KongHong KongChina Department of Pharmacology and Pharmacy The University of Hong KongHong KongChina Laboratory of Data Discovery for Health(D24H) Hong Kong Science and Technology ParkHong KongChina Department of Family Medicine and Primary Care The University of Hong KongHong KongChina School of Nursing The University of Hong KongHong KongChina School of Public Health The University of Hong KongHong KongChina Research Department of Practice and Policy University College LondonLondon WC1E 6BTUnited Kingdom Aston School of Pharmacy Aston UniversityBirmingham B47ETUnited Kingdom

BACKGROUND Chronic liver disease(CLD)was associated with adverse clinical outcomes among people with severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)infection.AIM To determine the effects of SARS-CoV-2 infection on the incidence and treatment strategy of hepatocellular carcinoma(HCC)among patients with CLD.METHODS A retrospective,territory-wide cohort of CLD patients was identified from an electronic health database in Hong Kong.Patients with confirmed SARS-CoV-2 infection[coronavirus disease 2019(COVID-19)+CLD]between January 1,2020 and October 25,2022 were identified and matched 1:1 by propensity-score with those without(COVID-19-CLD).Each patient was followed up until death,outcome event,or November 15,2022.Primary outcome was incidence of HCC.Secondary outcomes included all-cause mortality,adverse hepatic outcomes,and different treatment strategies to HCC(curative,non-curative treatment,and palliative care).Analyses were further stratified by acute(within 20 d)and post-acute(21 d or beyond)phases of SARS-CoV-2 infection.Incidence rate ratios(IRRs)were estimated by Poisson regression models.RESULTS Of 193589 CLD patients(>95%non-cirrhotic)in the cohort,55163 patients with COVID-19+CLD and 55163 patients with COVID-19-CLD were included after 1:1 propensity-score matching.Upon 249-d median follow-up,COVID-19+CLD was not associated with increased risk of incident HCC(IRR:1.19,95%CI:0.99-1.42,P=0.06),but higher risks of receiving palliative care for HCC(IRR:1.60,95%CI:1.46-1.75,P<0.001),compared to COVID-19-CLD.In both acute and post-acute phases of infection,COVID-19+CLD were associated with increased risks of allcause mortality(acute:IRR:7.06,95%CI:5.78-8.63,P<0.001;post-acute:IRR:1.24,95%CI:1.14-1.36,P<0.001)and adverse hepatic outcomes(acute:IRR:1.98,95%CI:1.79-2.18,P<0.001;post-acute:IRR:1.24,95%CI:1.13-1.35,P<0.001),compared to COVID-19-CLD.CONCLUSION Although CLD patients with SARS-CoV-2 infection were not associated with increased risk of HCC,they were more likely to receive palliative treatment

关键词： SARS-CoV-2 infection Chronic liver disease Long COVID Post-COVID-19 syndrome Cirrhosis Hepatocellular carcinoma

Data-Driven Modeling of Partially Observed Biological Systems

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Communications on Applied Mathematics and Computation 2024年第1期6卷 739-754页

作者： Wei-Hung Su ching-Shan Chou Dongbin Xiu Department of Mathematics The Ohio State UniversityColumbusOH43221USA

We present a numerical approach for modeling unknown dynamical systems using partially observed data,with a focus on biological systems with(relatively)complex dynamical behavior.As an extension of the recently developed deep neural network(DNN)learning methods,our approach is particularly suitable for practical situations when(i)measurement data are available for only a subset of the state variables,and(ii)the system parameters cannot be observed or measured at all.We demonstrate that,with a properly designed DNN structure with memory terms,effective DNN models can be learned from such partially observed data containing hidden parameters.The learned DNN model serves as an accurate predictive tool for system analysis.Through a few representative biological problems,we demonstrate that such DNN models can capture qualitative dynamical behavior changes in the system,such as bifurcations,even when the parameters controlling such behavior changes are completely unknown throughout not only the model learning process but also the system prediction process.The learned DNN model effectively creates a“closed”model involving only the observables when such a closed-form model does not exist mathematically.

关键词： Deep neural network(DNN) Governing equation discovery Biological system Partial observation

A Vertex Network Model of Arabidopsis Leaf Growth

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Communications on Applied Mathematics and Computation 2024年第1期6卷 454-488页

作者： Luke Andrejek Janet Best ching-Shan Chou Aman Husbands Department of Mathematics The Ohio State UniversityColumbusOHUSA Department of Biology The University of PennsylvaniaPhiladelphiaPAUSA

Biology provides many examples of complex systems whose properties allow organisms to develop in a highly reproducible,or robust,manner.One such system is the growth and development of flat leaves in Arabidopsis thaliana.This mechanistically challenging process results from multiple inputs including gene interactions,cellular geometry,growth rates,and coordinated cell divisions.To better understand how this complex genetic and cellular information controls leaf growth,we developed a mathematical model of flat leaf production.This two-dimensional model describes the gene interactions in a vertex network of cells which grow and divide according to physical forces and genetic information.Interestingly,the model predicts the presence of an unknown additional factor required for the formation of biologically realistic gene expression domains and iterative cell division.This two-dimensional model will form the basis for future studies into robustness of adaxial-abaxial patterning.

关键词： Robustness Adaxial-abaxial patterning Mathematical modeling Gene regulatory networks(GRNs) Transcription factors Small RNAs

Crosstalk between degradation and bioenergetics: how autophagy and endolysosomal processes regulate energy production

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Neural Regeneration Research 2025年第3期20卷 671-681页

作者： Angelid Pabon Jagannatham Naidu Bhupana ching-On Wong Department of Biological Sciences Rutgers UniversityNewarkNJUSA

Cells undergo metabolic reprogramming to adapt to changes in nutrient availability, cellular activity, and transitions in cell states. The balance between glycolysis and mitochondrial respiration is crucial for energy production, and metabolic reprogramming stipulates a shift in such balance to optimize both bioenergetic efficiency and anabolic requirements. Failure in switching bioenergetic dependence can lead to maladaptation and pathogenesis. While cellular degradation is known to recycle precursor molecules for anabolism, its potential role in regulating energy production remains less explored. The bioenergetic switch between glycolysis and mitochondrial respiration involves transcription factors and organelle homeostasis, which are both regulated by the cellular degradation pathways. A growing body of studies has demonstrated that both stem cells and differentiated cells exhibit bioenergetic switch upon perturbations of autophagic activity or endolysosomal processes. Here, we highlighted the current understanding of the interplay between degradation processes, specifically autophagy and endolysosomes, transcription factors, endolysosomal signaling, and mitochondrial homeostasis in shaping cellular bioenergetics. This review aims to summarize the relationship between degradation processes and bioenergetics, providing a foundation for future research to unveil deeper mechanistic insights into bioenergetic regulation.

关键词： autophagy bioenergetics endolysosome energy production glycolysis metabolic reprogramming mitochondria

Genomics-driven derivatization of the bioactive fungal sesterterpenoid variecolin:Creation of an unnatural analogue with improved anticancer properties

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Acta Pharmaceutica Sinica B 2024年第1期14卷 421-432页

作者： Dexiu Yan Jemma Arakelyan Teng Wan Ritvik Raina Tsz Ki Chan Dohyun Ahn Vladimir Kushnarev Tsz Kiu Cheung Ho ching Chan Inseo Choi Pui Yi Ho Feijun Hu Yujeong Kim Hill Lam Lau Ying Lo Law Chi Seng Leung Chun Yin Tong Kai Kap Wong Wing Lam yim Nikolay S.Karnaukhov Richard Y.C.Kong Maria V.Babak Yudai Matsuda Department of Chemistry City University of Hong KongHong Kong SARChina iGEM Team“VarieCure” City University of Hong KongHong Kong SARChina Department of Biomedical Engineering City University of Hong KongHong Kong SARChina Moscow Clinical Research Center Named After A.S.Loginov Moscow 111123Russian Federation

A biosynthetic gene cluster for the bioactive fungal sesterterpenoids variecolin(1)and variecolactone(2)was identified in Aspergillus aculeatus ATCC 16872.Heterologous production of 1 and 2 was achieved in Aspergillus oryzae by expressing the sesterterpene synthase VrcA and the cytochrome P450 VrcB.Intriguingly,the replacement of VrcB with homologous P450s from other fungal terpenoid pathways yielded three new variecolin analogues(5-7).Analysis of the compounds’anticancer activity in vitro and in vivo revealed that although 5 and 1 had comparable activities,5 was associated with significantly reduced toxic side effects in cancer-bearing mice,indicating its potentially broader therapeutic window.Our study describes the first tests of variecolin and its analogues in animals and demonstrates the utility of synthetic biology for creating molecules with improved biological activities.

关键词： Animal studies Anticancer properties Biosynthesis Natural products Sesterterpenoids Synthetic biology Terpene synthases Variecolin

Ten- year follow- up investigation of stroke risk in systemic lupus erythematosus

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Stroke & Vascular Neurology 2024年第1期9卷 1-7页

作者： Jin-An Huang ching-Heng Lin Ming-Ju Wu Yi-Hsing Chen Kuo-Cheng Chang Chung-Wei Hou Division of Neurology Neurological InstituteTaichung Veterans General HospitalTaichungTaiwan Department of Health Business Administration Hungkuang UniversityTaichungTaiwan Department of Medical Research Taichung Veterans General HospitalTaichungTaiwan Division of Nephrology Department of Internal MedicineTaichung Veterans General HospitalTaichungTaiwan School of Medicine Chung Shan Medical UniversityTaichungTaiwan College of Medicine National Chung Hsing UniversityTaichungTaiwan Division of Allergy Immunology and RheumatologyDepartment of Internal MedicineTaichung Veterans General HospitalTaichungTaiwan School of Medicine National Yang-Ming Chiao Tung UniversityTaichungTaiwan

Background and purpose To analyse the long-term risk of ischaemic stroke and the clinical effects of antithrombotics on the risk of haemorrhagic stroke in patients with systemic lupus erythematosus(SLE).Methods A retrospective cohort study was conducted using a population-based database taken from Taiwan National Health Insurance Research Database.Patients with SLE between 2000 and 2008 were registered and matched with two controls by the index date,age,gender and Charlson Comorbidity Index(CCI).These subjects were followed until either stroke event or 31 December 2013.Adjusted HRs(aHRs)for strokes were estimated with Cox regression models,and the cumulative incidence of ischaemic stroke was analysed by log-rank test and Kaplan-Meier survival analysis.Results In total,8310 patients with SLE and 16620 patients without SLE were included.In general,patients with SLE had higher rates of ischaemic stroke(5.4%vs 3.3%)and haemorrhagic stroke(1.5%vs 0.6%)than in controls.In multivariate analysis adjusted to age,gender,CCI,urbanisation level and antithrombotics uses,aHRs of all strokes,ischaemic stroke and haemorrhagic stroke were 1.73(95%CI:1.54 to 1.94),1.65(95%CI:1.45 to 1.87)and 2.24(95%CI:1.71 to 2.95),respectively,in patients with SLE.Patients with SLE were significantly more likely to suffer ischaemic stroke than patients without SLE,even 10 years after SLE diagnosis(6.12%vs 3.50%,p<0.001).Antiplatelet use increased the risk of haemorrhagic stroke in SLE group(aHR=1.74,95%CI:1.18 to 2.57).Conclusions Patients with SLE are at greater risk of developing ischaemic stroke that lasts for 10 years.Antiplatelets should be carefully administered to prevent cardiovascular events in patients with SLE due to the risk of haemorrhagic stroke.

关键词： erythematosus diagnosis likely