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Thermodynamics of the Solid-Liquid Phase Equilibrium of a Binary System: Effect of a Chemical Reaction in the Liquid and Epitaxial Strain in the Solid

SSRN

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SSRN 2023年

作者： Deymier, Alix C. Deymier, Pierre Alix Muralidharan, Krishna Latypov, Marat I. Department of Biomedical Engineering UConn Health FarmingtonCT06030 United States Department of Materials Science and Engineering University of Arizona TucsonAZ85721 United States Graduate Interdisciplinary Program in Applied Mathematics University of Arizona TucsonAZ85721 United States

We introduce two thermodynamics models of solid-liquid phase equilibrium of a binary system in the presence of (a) a chemical reaction in the liquid involving only one of the binary components and, (b) strain-inducing epitaxial conditions on the solid in addition to the chemical reaction in the liquid. These models show the existence of the counter intuitive behavior that epitaxy may promote recrystallization of the solid in spite of the reaction driving dissolution. The conditions for this recrystallization behavior are determined by the value of the epitaxial lattice matching composition, the temperature and the overall composition of the binary solid-liquid system. © 2023, The Authors. All rights reserved.

关键词： Chemical reactions

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Vitamin E decreases bone mass by stimulating osteoclast fusion (vol 18, pg 589, 2012)

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NATURE MEDICINE 2012年第9期18卷 1445-1445页

作者： Fujita, Koji Iwasaki, Makiko Ochi, Hiroki Fukuda, Toru Ma, Chengshan Miyamoto, Takeshi Takitani, Kimitaka Negishi-Koga, Takako Sunamura, Satoko Kodama, Tatsuhiko Takayanagi, Hiroshi Tamai, Hiroshi Kato, Shigeaki Arai, Hiroyuki Shinomiya, Kenichi Itoh, Hiroshi Okawa, Atsushi Takeda, Shu Global Center of Excellence (GCOE) Program International Research Center for Molecular Science in Tooth and Bone Diseases Tokyo Medical and Dental University Tokyo Japan. Department of Orthopedic Surgery Tokyo Medical and Dental University Tokyo Japan. Section of Nephrology Endocrinology and Metabolism Department of Internal Medicine School of Medicine Keio University Tokyo Japan. Department of Orthopedic Surgery School of Medicine Keio University Tokyo Japan. Department of Pediatrics Osaka Medical College Osaka Japan. Department of Cell Signaling Graduate School of Medical and Dental Sciences Tokyo Medical and Dental University Tokyo Japan. Laboratory for Systems Biology and Medicine University of Tokyo Tokyo Japan. Institute of Molecular and Cellular Biosciences University of Tokyo Tokyo Japan. Department of Health Chemistry Graduate School of Pharmaceutical Sciences University of Tokyo Tokyo Japan.

Bone homeostasis is maintained by the balance between osteoblastic bone formation and osteoclastic bone resorption. Osteoclasts are multinucleated cells that are formed by mononuclear preosteoclast fusion. Fat-soluble vitamins such as vitamin D are pivotal in maintaining skeletal integrity. However, the role of vitamin E in bone remodeling is unknown. Here, we show that mice deficient in ?-tocopherol transfer protein (Ttpa?/? mice), a mouse model of genetic vitamin E deficiency, have high bone mass as a result of a decrease in bone resorption. Cell-based assays indicated that ?-tocopherol stimulated osteoclast fusion, independent of its antioxidant capacity, by inducing the expression of dendritic-cell-specific transmembrane protein, an essential molecule for osteoclast fusion, through activation of mitogen-activated protein kinase 14 (p38) and microphthalmia-associated transcription factor, as well as its direct recruitment to the Tm7sf4 (a gene encoding DC-STAMP) promoter. Indeed, the bone abnormality seen in Ttpa?/? mice was rescued by a Tm7sf4 transgene. Moreover, wild-type mice or rats fed an ?-tocopherol-supplemented diet, which contains a comparable amount of ?-tocopherol to supplements consumed by many people, lost bone mass. These results show that serum vitamin E is a determinant of bone mass through its regulation of osteoclast fusion.[ABSTRACT FROM AUTHOR]

关键词： Metabolic bone disease Nutrition disorders Osteoclasts

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Evaluation of drug repositioning by molecular docking of pharmaceutical resources available in the Brazilian healthcare system against SARS-CoV-2

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Informatics in Medicine Unlocked 2021年 23卷 100539页

作者： Grahl, Matheus V.C. Alcará, Allan M. Perin, Ana Paula A. Moro, Carlo F. Pinto, Éderson S.M. Feltes, Bruno C. Ghilardi, Isadora M. Rodrigues, Felipe V.F. Dorn, Marcio da Costa, Jaderson C. Norberto de Souza, Osmar Ligabue-Braun, Rodrigo Brain Institute of Rio Grande do Sul (BraIns) Pontifical Catholic University of Rio Grande do Sul Porto Alegre Brazil Graduate Program in Medicine and Health Sciences Pontifical Catholic University of Rio Grande do Sul Porto Alegre Brazil Graduate Program in Medicine Pediatrics and Child Health Pontifical Catholic University of Rio Grande do Sul Porto Alegre Brazil Graduate Program in Cellular and Molecular Biology Center of Biotechnology Federal University of Rio Grande do Sul RS Brazil Laboratory of Structural Bioinformatics and Computational Biology Institute of Informatics Federal University of Rio Grande do Sul RS Brazil Laboratory of Immunobiology and Immunogenetics Institute of Biosciences Federal University of Rio Grande do Sul RS Brazil School of Technology Pontifical Catholic University of Rio Grande do Sul Porto Alegre Brazil Department of Pharmacosciences and Graduate Program in Biosciences (PPGBio) Federal University of Health Sciences of Porto Alegre Porto Alegre Brazil

In 2020 SARS-CoV-2 reached pandemic status, reaching Brazil in mid-February. As of now, no specific drugs for treating the disease are available. In this work, the possibility of interaction between SARS-CoV-2 viral proteins (open and closed spike protein, isolate spike protein RBD, NSP 10, NSP 16, main protease, and RdRp polymerase) and multiple molecules is addressed through the repositioning of drugs available for the treatment of other diseases that are approved by the FDA and covered by SUS, the Brazilian Public health System. Three different docking software were used, followed by a unification of the results by independent evaluation. Afterwards, the chemical interactions of the compounds with the targets were inspected via molecular dynamics and analyzed. The results point to a potential effectiveness of Penciclovir, Ribavirin, and Zanamivir, from a set of 48 potential candidates. They may also be multi-target drugs, showing high affinity with more than one viral protein. Further in vitro and in vivo validation is required to assess the suitability of repositioning the proposed drugs for COVID-19. © 2021 The Authors

关键词： COVID19 Drug repositioning Molecular docking SARS-CoV-2 SUS

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Comparative analysis of adhesive failure of orthodontic resins: An in vitro mechanical test with the finite element method

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European Journal of General Dentistry 2021年第2期2卷 124-129页

作者： Ana Leticia Rocha Avila Mildred Ballin Hecke Ana Paula Gebert de Oliveira Franco Marco Antonio Amorin Vasco Dauro Douglas Oliveira Orlando Motohiro Tanaka Department of Orthodontics School of Health and Biosciences Pontifical Catholic University of Paraná Curitiba Brazil Numerical Methods in Engineering Graduate Program Federal University of Paraná (UFPR) Curitiba Brazil Department of Dentistry Pontifical Catholic University of Paraná Curitiba Brazil Department of Prosthodontics Oral Rehabilitation USP Brazil Department of Orthodontics Pontifical Catholic University of Minas Gerais Belo Horizonte Brazil

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Transcutaneous Vagus Nerve Stimulation: an Alternative Treatment of Chronic Migraine—a Systematic Review

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SN Comprehensive Clinical Medicine 2022年第1期4卷 1-13页

作者： de Carvalho, Ana Cláudia Marques, Aeska Lanary Cristino Ferreira, Lais Leite de Brito, Francisco Xavier Baptista, Abrahão Fontes da Silva, Marcelo Lourenço da Silva, Josie Resende Torres Federal University of Alfenas Alfenas Brazil Biosciences Applied to Health Program Federal University of Alfenas Alfenas Brazil Health and Function Study Nucleus Federal University of Bahia Salvador Bahia Brazil Center for Mathematics Computation and Cognition Federal University of ABC São Paulo Brazil Institute of Motricity Sciences Federal University of Alfenas Alfenas Brazil Federal University of Alfenas LANNED Laboratory of Neuroscience Neuromodulation and Study of Pain Alfenas Brazil

Migraine is a disabling condition that is currently underdiagnosed and undertreated. Transcutaneous vagus nerve stimulation (VNS) is among the most researched non-invasive brain stimulation techniques for migraine control. In this systematic review, we discuss the effects of VNS parameters (waveform, frequency, intensity, cycle, and current) and central and clinical mechanisms in auricular (taVNS) or cervical (tcVNS) transcutaneous VNS in the control of migraine pain. PubMed (National Library of Medicine), Cochrane Library, CAPES Journals (Portal of Journals of the Coordination for the Improvement of Higher Education Personnel), Virtual health Library (VHL), and Google Scholar were searched by computer from the establishment of within the 10-year period (2011– 2021). Initially, a total of 10,017 articles were identified. After applying the exclusion criteria, 10,007 articles were excluded. The eligibility criteria were analyzed and only ten articles fulfilled the criteria. The most used parameters in this study for VNS were the frequencies of 1 Hz, 25 Hz, and 30 Hz. The 1-Hz stimulation caused a more significant reduction in the number of days with headache. The total stimulation time varies between studies, ranging from 2 to 240 min, and can be repeated for a period or a single session. Studies that used a longer treatment period showed clinical results in reducing pain and analyzed the scores. Moreover, studies have shown reduced intensity or severity of pain after taVNS. The studies performed taVNS or tcVNS, and both methods had positive effects on migraine control, pain reduction, and migraine score. An systematic literature review of transcutaneous vagus nerve stimulation (tVNS) on migraine pain management. The results indicate that auricular or cervical tVNS methods had positive effects on migraine control, pain reduction, and migraine score.

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Impact of pandemic fatigue on the spread of COVID-19: A mathematical modelling study

arXiv

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arXiv 2021年

作者： Tang, Disheng Cao, Wei Bian, Jiang Liu, Tie-Yan Gao, Zhifeng Zheng, Shun Liu, Jue Interdisciplinary Graduate Program in Quantitative Biosciences Georgia Institute of Technology AtlantaGA United States School of Earth and Atmospheric Sciences Georgia Institute of Technology AtlantaGA United States Microsoft Research Asia Beijing China Department of Epidemiology and Biostatistics School of Public Health Peking University Beijing China

In late-2020, many countries around the world faced another surge in number of confirmed cases of COVID-19, including United Kingdom, Canada, Brazil, United States, etc., which resulted in a large nationwide and even worldwide wave. While there have been indications that precaution fatigue could be a key factor, no scientific evidence has been provided so far. We used a stochastic metapopulation model with a hierarchical structure and fitted the model to the positive cases in the US from the start of outbreak to the end of 2020. We incorporated non-pharmaceutical interventions (NPIs) into this model by assuming that the precaution strength grows with positive cases and studied two types of pandemic fatigue. We found that people in most states and in the whole US respond to the outbreak in a sublinear manner (with exponent k=0.5), while only three states (Massachusetts, New York and New Jersey) have linear reaction (k=1). Case fatigue (decline in people's vigilance to positive cases) is responsible for 58% of cases, while precaution fatigue (decay of maximal fraction of vigilant group) accounts for 26% cases. If there were no pandemic fatigue (no case fatigue and no precaution fatigue), total positive cases would have reduced by 68% on average. Our study shows that pandemic fatigue is the major cause of the worsening situation of COVID-19 in United States. Reduced vigilance is responsible for most positive cases, and higher mortality rate tends to push local people to react to the outbreak faster and maintain vigilant for longer time. © 2021, CC BY.

关键词： Stochastic systems

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Dysregulated microRNAs in type 2 diabetes and breast cancer:Potential associated molecular mechanisms

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World Journal of Diabetes 2024年第6期15卷 1187-1198页

作者： Alex Cleber Improta-Caria Filipe Ferrari João Lucas Penteado Gomes Paloma Brasilio Villalta Úrsula Paula RenóSoci Ricardo Stein Edilamar M Oliveira Laboratory of Biochemistry and Molecular Biology of the Exercise Physical Education and Sport SchoolUniversity of São PauloSão Paulo 05508-030Brazil Graduate Program in Cardiology and Cardiovascular Sciences Federal University of Rio Grande do SulHospital de Clínicas de Porto AlegrePorto Alegre 90035003Brazil Laboratory of Metabolic Disorders(Labdime) School of Applied SciencesUniversity of Campinas-UNICAMPCampinas 13484-350Brazil Departments of Internal Medicine Molecular Pharmacology and PhysiologyCenter for Regenerative MedicineUSF Health Heart InstituteMorsani College of MedicineUniversity of South FloridaTampaFL 33602United States

Type 2 diabetes(T2D)is a multifaceted and heterogeneous syndrome associated with complications such as hypertension,coronary artery disease,and notably,breast cancer(BC).The connection between T2D and BC is established through processes that involve insulin resistance,inflammation and other *** this comprehension the specific cellular and molecular mechanisms linking T2D to BC,especially through microRNAs(miRNAs),remain *** are regulators of gene expression at the post-transcriptional level and have the function of regulating target genes by modulating various signaling pathways and biological ***,the signaling pathways and biological processes regulated by miRNAs that are associated with T2D and BC have not yet been *** review aims to identify dysregulated miRNAs in both T2D and BC,exploring potential signaling pathways and biological processes that collectively contribute to the development of BC.

关键词： Type 2 diabetes Breast cancer MicroRNAs Molecular mechanisms

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Correction: Feasibility and acceptability of implementing the Global Scales for Early Development (GSED) package for children 0-3 years across three countries

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Pilot and feasibility studies 2025年第1期11卷 34页

作者： Ambreen Nizar Merchant Raghbir Kaur Gareth McCray Vanessa Cavallera Ann Weber Melissa Gladstone Magdalena Janus Imran Nisar Patricia Kariger Sunil Sazawal Arup Dutta Salahuddin Ahmed Yunting Zhang Mariana Pacifico Mercadante Arsene Zongo Yvonne Schönbeck Tarun Dua Iris Eekhout Fahmida Tofail Maureen Black Abdullah H Baqui Dana McCoy Farzana Begum Romuald Kouadio E Anago Alexandra Brentani Fan Jiang Symone Detmar Michelle Perez Maillard Marcus Waldman Stef van Buuren Abbie Raikes Katelyn Hepworth Marta Rubio Codina Shirina Akhtar Fyezah Jehan Rasheda Khanam Hassan Naqvi Abrarul Haque Asif Junaid Mehmood Sidra Afzal Gillian Lancaster Department of Pediatrics and Child Health The Aga Khan University Karachi Pakistan. ambreen.nizar@aku.edu. Department of Mental Health and Substance Use World Health Organization Geneva Switzerland. School of Medicine Keele University Keele UK. School of Public Health University of Nevada Reno Reno NV USA. Department of Women and Children's Health Institute of Life Course and Medical Sciences University of Liverpool Liverpool UK. Offord Centre for Child Studies Department of Psychiatry and Behavioural Neurosciences McMaster University Hamilton ON Canada. Department of Pediatrics and Child Health The Aga Khan University Karachi Pakistan. Center for Effective Global Action University of California Berkeley School of Public Health Berkeley CA USA. Center for Public Health Kinetics CPHK Global Pemba Zanzibar Tanzania. Research Projahnmo Research Foundation Dhaka Bangladesh. Child Health Advocacy Institute National Children's Medical Center Shanghai Children's Medical Center Affiliated to Shanghai Jiao Tong University School of Medicine Shanghai People's Republic of China. Department of Pediatrics University of São Paulo Medical School São Paulo Brazil. Innovations for Poverty Action IPA Côte d'Ivoire Abidjan Côte d'Ivoire. Department of Child Health Netherlands Organization for Applied Scientific Research Leiden Netherlands. Nutrition and Clinical Services Division (NCSD) International Centre for Diarrhoeal Disease Research Bangladesh Dhaka Bangladesh. International Education RTI International Research Triangle Park NC USA. Department of Pediatrics University of Maryland School of Medicine Baltimore MD USA. International Center for Maternal and Newborn Health Department of International Health Johns Hopkins Bloomberg School of Public Health Johns Hopkins University Baltimore MD USA. Education Policy and Program Evaluation Harvard Graduate School of Education Cambridge MA USA. Health Promotion University of Nebraska Medical Center College of Public

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The dynamic immune behavior of primary and metastatic ovarian carcinoma

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npj Precision Oncology 2025年第1期9卷 1-12页

作者： Stur, Elaine Peng, Fuduan Teng, Pang-Ning Bayraktar, Emine Hu, Min Corvigno, Sara Brown, David J. Lee, Sanghoon Moore, Kathleen N. Bateman, Nicholas W. Darcy, Kathleen M. Maxwell, George L. P. Conrads, Thomas Sahni, Nidhi Vázquez-García, Ignacio Shah, Sohrab P. Celestino, Joseph D. Fleming, Nicole Navin, Nicholas E. Wang, Linghua Sood, Anil K. Department of Gynecologic Oncology and Reproductive Medicine The University of Texas MD Anderson Cancer Center Houston TX United States Department of Genomic Medicine The University of Texas MD Anderson Cancer Center Houston TX United States Gynecologic Cancer Center of Excellence The Henry M. Jackson Foundation for the Advancement of Military Medicine Inc. Walter Reed National Military Medical Center Bethesda 20889 MD United States Department of Gynecologic Surgery and Obstetrics Uniformed Services University of the Health Sciences Walter Reed National Military Medical Center Bethesda MD United States Department of Genetics The University of Texas MD Anderson Cancer Center Houston TX United States Obstetrics and Gynecology Stephenson Cancer Center Stephenson Cancer Center at the University of Oklahoma Health Sciences Center/Sarah Cannon Research Institute Oklahoma City OK United States Women’s Health Integrated Research Center Women’s Service Line Inova Health System Falls Church VA United States Department of Epigenetics and Molecular Carcinogenesis The University of Texas MD Anderson Cancer Center Baylor College of Medicine Houston TX United States Department of Bioinformatics and Computational Biology The University of Texas MD Anderson Cancer Center Houston TX United States Quantitative and Computational Biosciences Program Baylor College of Medicine Houston TX United States Computational Oncology Department of Epidemiology and Biostatistics Memorial Sloan Kettering Cancer Center New York NY United States The Halvorsen Center for Computational Oncology Memorial Sloan Kettering Cancer Center Boston MA United States Irving Institute for Cancer Dynamics Columbia University Cambridge 10027 MA United States Department of Systems Biology The University of Texas MD Anderson Cancer Center Houston MA United States The James P. Allison Institute The University of Texas MD Anderson Cancer Center Houston 77030 TX United States The Institute for Data Sc

Patients with high-grade serous ovarian carcinoma (HGSC) are usually diagnosed with advanced-stage disease, and the tumors often have immunosuppressive characteristics. Together, these factors are important for disease progression, drug resistance, and mortality. In this study, we used a combination of single-cell sequencing and spatial transcriptomics to identify the molecular mechanisms that lead to immunosuppression in HGSC. Primary tumors consistently showed a more active immune microenvironment than did omental tumors. In addition, we found that untreated primary tumors were mostly populated by dysfunctional CD4 and CD8 T cells in later stages of differentiation;this, in turn, was correlated with expression changes in the interferon α and γ pathways in epithelial cells, showing that cross-communication between the epithelial and immune compartments is important for immune suppression in HGSC. These findings could have implications for the design of clinical trials with immune-modulating drugs. © The Author(s) 2025.

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BRD4uclear PD-L1/RelB circuit is involved in the stemness of breast cancer cells

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Cell Communication and Signaling 2023年第1期21卷 1-21页

作者： Kim, Su-Lim Choi, Hack Sun Lee, Dong-Sun Bio-Health Materials Core-Facility Center Jeju National University Jeju Republic of Korea Graduate Program for Bio-health/Innovative Drug Development using Subtropical Bio-Resources Jeju National University Jeju Republic of Korea Subtropical/Tropical Organism Gene Bank Jeju National University Jeju Republic of Korea Faculty of Biotechnology College of Applied Life Sciences Jeju National University SARI Jeju Republic of Korea

Breast cancer (BC) is the most common cancer diagnosed in women worldwide. BC stem cells (BCSCs) have been known to be involved in the carcinogenesis of the breast and contribute to therapeutic resistance. The programmed death-ligand 1 (PD-L1) expression of BC correlated with a poor prognosis. Immunotherapies that target PD-L1 have great potential and have been successful when applied to cancer treatment. However, whether PD-L1 regulates BCSC formation is unknown. BCSCs were enriched by serum-free suspension culture. The properties of BCSCs were examined by mammosphere formation assay, CD44+/Cd24−, aldehyde dehydrogenase (ALDH) assay, CSC marker analysis, and mammosphere growth assay. To elucidate the functions of bromodomain-containing protein 4 (BRD4), nuclear PD-L1, and RelB proteins in the stemness of BCSCs, mammosphere formation was examined using BRD4 inhibitor and degrader, PD-L1 degrader, and RelB inhibitor. The antitumor function of 3',4',7,8-tetrahydroxyflavone (THF), a specific BRD4 inhibitor, was studied through in vivo tumor model and mouse studies, and the protein levels of c-Myc, PD-L1, and RelB were examined in tumor model under THF treatment. BRD4 was upregulated in breast CSCs and regulates the stemness of BCs. The downregulation of BRD4 using BRD4 PROTAC, ARV-825, and BRD4 inhibitor, (+)-JQ1, inhibits mammosphere formation and reduces the levels of breast CSC markers (CD44+/CD24− and ALDH1), stem cell marker genes, and mammosphere growth. BRD4 inhibitor (JQ1) and degrader (ARV825) downregulate membrane and nuclear fractions of PD-L1 through the inhibition of PD-L1 transcript levels. The knockdown of PD-L1 inhibits mammosphere formation. Verteporfin, a PD-L1 degrader, inhibits the transcripts and protein levels of PD-L1 and downregulates the transcript and protein levels of RelB. Calcitriol, a RelB inhibitor, and the knockdown of RelB using si-RelB regulate mammosphere formation through interleukin-6 (IL-6) expression. THF is a natural product and

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