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SARS-CoV-2 proteins show great binding affinity to resin composite monomers and polymerized chains

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World j.urnal of Experimental Medicine 2025年第1期15卷 96-103页

作者： Pedro Henrique Sette-de-Souza Moan j.fter Fernandes costa Boniek Castillo Dutra Borges Faculdade de Odontologia Universidade de Pernambuco-campus ArcoverdeArcoverde 56503-146PernambucoBrazil Programa de Pós-Graduação em Saúde e Desenvolvimento Socioambiental Universidade de Pernambuco-campus GaranhunsGaranhuns 55294-902PernambucoBrazil Programa de Pós-Graduação em Biologia Celular e Molecular Aplicada Universidade de Pernambuco-campus Santo AmaroRecife 50100-130PernambucoBrazil Department of Odontologia Universidade Federal do Rio Grande do NorteNatal 59056-000Rio Grande do NorteBrazil Programa de Pós-Graduação em Ciências Odontológicas Universidade Federal do Rio Grande do NorteNatal 59056-000Rio Grande do NorteBrazil

BACKGROUND Due to saliva and salivary glands are reservoir to severe acute respiratory syndrome-coronavirus 2(SARS-CoV-2),aerosols and saliva droplets are primary sources of cross-infection and are responsible for the high human–human transmission of ***,there is no evidence about how SARSCoV-2 interacts with oral structures,particularly resin *** To evaluate the interaction of SARS-CoV-2 proteins with monomers present in resin composites using in silico *** Four SARS-CoV-2 proteins[*** protease,3C-like protease,papain-like protease(PLpro),and glycoprotein spike]were selected along with salivary amylase as the positive control,and their binding affinity with bisphenol-A glycol dimethacrylate,bisphenol-A ethoxylated dimethacrylate,triethylene glycol dimethacrylate,and urethane dimethacrylate was *** docking was performed using AutoDock Vina and visualised in Chimera UCSF *** best ligand–protein model was identified based on the binding energy(ΔG–kcal/moL).RESULTS Values for the binding energies ranged from-3.6 kcal/moL to-7.3 kcal/*** 3-monomer chain had the lowest binding energy(*** affinity)to PLpro and the glycoprotein ***-polymerised monomers and polymerised chains interacted with SARS-CoV-2 proteins via hydrogen bonds and hydrophobic *** findings suggest an interaction between SARS-CoV-2 proteins and resin *** SARS-CoV-2 proteins show affinity to non-polymerised and polymerised resin composite chains.

关键词： Composite resins COVID-19 SARS-CoV-2 Dental restorations Molecular docking simulation Dentistry

Effects of grid size on predictions of bed expansion in bubbling fluidized beds of Geldart B particles： A generalized rule for a grid-independent solution of TFM simulations

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Particuology 2017年第5期15卷 61-69页

作者： M. Helal Uddin charles j. Coronella Department of Chemical and Materials Engineering University of Nevada Reno NV 89557 USA

Numerical simulations of gas-solid fluidized beds based on the kinetic theory of granular flow exhibit a significant dependence on domain discretization. Bubble formation, bubble size and shape all vary greatly with the discretization, and the use of an inappropriate scale resolution leads to inaccurate predictions of fluidization hydrodynamics. In this study, grid-independent solutions of the two fluid model were examined by comparing the bed expansions obtained from numerical simulations with experimental results and empirical predictions, based on bubbling fluidized beds of Geldart B particles. Grid indepen- dence was achieved with a grid resolution equal to 18 times the particle diameter. The simulation results were compared with previously published data for verification purposes. The results of this work should provide a guideline for choosing the appropriate grid size and thereby minimize the time and expense associated with large simulations.

关键词： Mesh effectHydrodynamicsComputational fluid dynamicsEuler-Euler method MFIX

Variations in Atmospheric Electromagnetism and Their Impacts on Mortality Rates in the Southern and Northeastern Regions of Brazil

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Atmospheric and Climate Sciences 2025年第1期15卷 248-274页

作者： Rose Ane Pereira de Freitas j.lio Renato Quevedo Marques Reynerth Pereira da costa j.lia Alves Menezes Isabela de Brito Ferreira Rhavena Barbosa dos Santos Ulisses Eugenio Cavalcanti Confalonieri Department of Meteorology Federal University of Pelotas (UFPel) Pelotas Brazil National Observatory (ON) Ministry of Science Rio de Janeiro Brazil Laboratory of Analysis and Development of Indicators for Sustainability (LADIS) Division of Impacts Adaptation and Vulnerability (DIIAV) National Institute for Space Research (INPE) So Jos dos Campos Brazil Department of Parasitology Institute of Biological Sciences Federal University of Minas Gerais (UFMG) Belo Horizonte Brazil Department of Nursing and Medicine Federal University of Viosa (UFV) Viosa Brazil Department of Food Technology Federal Fluminense University (UFF) and Rene Rachou Institute Fiocruz Belo Horizonte Brazil

This study examines the relationship between geomagnetic indices and mortality rates from specific diseases in the Northeast (NE) and Southern (S) regions of Brazil from 1996 to 2020. Solar activity data, including the Ap and Sudden Ionospheric Disturbance (SID) indices, were sourced from the World Data Center, while mortality data were obtained from the Mortality Information System (SIM-DATASUS). Acute Myocardial Infarction (AMI) emerged as the leading cause of mortality, with average death rates of 60.4, 56.8, and 58.3 deaths per 100,000 inhabitants in Pernambuco (PE), Rio Grande do Sul (RS), and Paraná (PR), respectively. Temporal analysis revealed a consistent upward trend in AMI mortality across most states, except for Santa Catarina (SC). Seasonal patterns identified through Principal Component Analysis (PCA) demonstrated that geomagnetic and climatic indices influenced mortality differently across regions and seasons. The Ap geomagnetic index was strongly correlated with higher AMI mortality rates during summer, while the SID index showed greater relevance during winter. A dipole phenomenon was observed, with AMI deaths increasing alongside geomagnetic activity in the S region but showing an inverse relationship in the NE region. These findings highlight the significant influence of geomagnetic variations on public health, particularly cardiovascular mortality. The study underscores the need for further research into the biological mechanisms underlying these associations and recommends the development of early warning systems and targeted preventive measures to mitigate the potential health impacts of geomagnetic disturbances, especially for vulnerable populations.

关键词： Solar Activity Cardiovascular Mortality Geomagnetic Disturbances

Combining slow-release fertilizer and plastic film mulching reduced the carbon footprint and enhanced maize yield on the Loess Plateau

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j.urnal of Environmental Sciences 2025年第1期147卷 359-369页

作者： Xiaoqing Han Pengfei Dang Lechen Liao Fangqi Song Miaomiao Zhang Maoxue Zhang Guoqing Li Shuyue Wen Ning Yang Xiping Pan Xiaofan Wang WenWang Xiaoliang Qin charles O.j.seph Kadambot H.M.Siddique College of Agronomy Key Laboratory of Crop Physi-ecology and Tillage Science in Northwestern Loess PlateauNorthwest A&F UniversityYanglingShaanxi 712100China Department of Crop Sciences and Beekeeping Technology College of Agricultural Sciences and Food Technology University of Dar es SalaamMwalimu Julius Nyerere Mlimani CampusP.O.Box 35091Dar es SalaamTanzania College of Life Science Yulin UniversityChongwen Road No.4YulinShaanxi719000China The UWA Institute of Agriculture and School of Agriculture&Environment The University of Western AustraliaPerth WA 6001Australia

Agricultural practices significantly contribute to greenhouse gas(GHG)emissions,necessitating cleaner production technologies to reduce environmental pressure and achieve sustainable maize *** film mulching is commonly used in the Loess Plateau *** slow-release fertilizers as a replacement for urea within this practice can reduce nitrogen losses and enhance crop *** these techniques represents a novel agricultural approach in semi-arid ***,the impact of this integration on soil carbon storage(SOCS),carbon footprint(CF),and economic benefits has received limited research ***,we conducted an eight-year study(2015-2022)in the semi-arid northwestern region to quantify the effects of four treatments[urea supplied without plastic film mulching(CK-U),slow-release fertilizer supplied without plastic film mulching(CK-S),urea supplied with plastic film mulching(PM-U),and slow-release fertilizer supplied with plastic film mulching(PM-S)]on soil fertility,economic and environmental *** results revealed that nitrogen fertilizer was the primary contributor to total GHG emissions(≥71.97%).Compared to other treatments,PM-S increased average grain yield by 12.01%-37.89%,water use efficiency by 9.19%-23.33%,nitrogen accumulation by 27.07%-66.19%,and net return by 6.21%-29.57%.Furthermore,PM-S decreased CF by 12.87%-44.31%and CF per net return by 14.25%-41.16%.After eight years,PM-S increased SOCS(0-40 cm)by 2.46%,while PM-U decreased it by 7.09%.These findings highlight the positive effects of PM-S on surface soil fertility,economic gains,and environmental benefits in spring maize production on the Loess Plateau,underscoring its potential for widespread adoption and application.

关键词： Plastic film mulching Slow-release fertilizer Maize grain yield Carbon footprint Economic benefits

Release, Recycle, Rebuild： Cell-Wall Remodeling, Autodegradation, and Sugar Salvage for New Wall Biosynthesis during Plant Development

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Molecular Plant 2018年第1期11卷 31-46页

作者： William j. Barnes charles T. Anderson Department of Biology Center for Ugnocellulose Structure and Formation The Pennsylvania State University University Park PA 16802 USA

Plant cell walls contain elaborate polysaccharide networks and regulate plant growth, development, mechanics, cell-cell communication and adhesion, and defense. Despite conferring rigidity to support plant structures, the cell wall is a dynamic extracellular matrix that is modified, reorganized, and degraded to tightly control its properties during growth and development. Far from being a terminal carbon sink, many wall polymers can be degraded and recycled by plant cells, either via direct re-incorporation by trans- glycosylation or via internalization and metabolic salvage of wall-derived sugars to produce new precur- sors for wall synthesis. However, the physiological and metabolic contributions of wall recycling to plant growth and development are largely undefined. In this review, we discuss long-standing and recent evi- dence supporting the occurrence of cell-wall recycling in plants, make predictions regarding the develop- mental processes to which wall recycling might contribute, and identify outstanding questions and emerging experimental tools that might be used to address these questions and enhance our understanding of this poorly characterized aspect of wall dynamics and metabolism.

关键词： Plant cell walls wall degradation wall recycling wall biosynthesis

Nucleon Finite Volume Effect and Nuclear Matter Properties in a Relativistic Mean-Field Theory

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Communications in Theoretical Physics 2006年第6X期46卷 1052-1058页

作者： R. costa A.j. Santiago H. Rodrigues j. Sa Borges Instituto de Fisica Universidade do Estado do Rio de Janeiro Rio de Janeiro-RJ 20559-900 Brazil Centro Federal de Educ~ao Tecnológica Rio de j.neiro Brazil

Effects of excluded volume of nucleons on nuclear matter are studied, and the nuclear properties that follow from different relativistic mean-field model parametrizations are compared. We show that, for all tested parametrizations, the resulting volume energy al and the symmetry energy j.are around the acceptable values of 16 MeV and 30 MeV, and the density symmetry L is around 100 MeV. On the other hand, models that consider only linear terms lead to incompressibility Ko much higher than expected. For most parameter sets there exists a critical point （pc, δc）, where the minimum and the maximum of the equation of state are coincident and the incompressibility equals zero. This critical point depends on the excluded volume parameter r. If this parameter is larger than 0.5 fm, there is no critical point and the pure neutron matter is predicted to be bound. The maximum value for neutron star mass is 1.85M⊙, which is in agreement with the mass of the heaviest observed neutron star 4U0900-40 and corresponds to r = 0.72 fm. We also show that the light neutron star mass （1.2M⊙） is obtained for r ≌ 0.9 fro.

关键词： nuclear matter relativistic models nuclear matter aspects of neutron stars

Thermodynamic Foundation for High Temperature Electrochemistry

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Chemical Research in Chinese Universities 2004年第4期20卷 494-500页

作者： ZHANG W. E. A. charles j. Congleton Corrosion Research Group School of Chemical Engineering & Advanced Materials University of Newcastle upon TyneCorrosion Research Group School of Chemical Engineering & Advanced Materials University of Newcastle upon TyneCorrosion Research Group School of Chemical Engineering & Advanced Materials University of Newcastle upon Tyne NE1 7RU UK NE1 7RU UKNE1 7RU UK

Thermodynamic concepts required for the thermodynamic calculation of the potentials of electrodes for high temperature applications are briefly reviewed. A thermodynamic approach to the calculation of half cell potentials and the standard chemical potential of an electron at high temperatures which are related to the Standard Hydrogen Electrode(SHE) is discussed. As examples, an external Ag/AgCl reference electrode and a YSZ(Ag|O_2) pH sensor for high temperature applications are analyzed by using the thermodynamic approach to derive a high temperature pH measurement equation. The two electrodes are employed to measure high temperature pH and the measured pH was compared with the calculated pH by using a solution chemistry method. Concepts and principles for electrode kinetics are also briefly introduced and a modification to the Tafel equations is suggested.

关键词： High temperature potential Half cell potential External Ag/AgCl reference electrode Standard chemical potential of an electron High temperature pH sensor.

Survival with Trastuzumab Emtansine in Residual HER2-Positive Breast Cancer

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四川生理科学杂志 2025年第1期47卷 145-145页

作者： charles E Geyer j. the National Surgical Adj.vant Breast and Bowel Proj.ct AGO-B and Helios Klinikum Berlin–Buch Berlin Instituto do Câncer do Estado de São Paulo São Paulo Orlando Health Cancer Institute Orlando FL the National Center for Tumor Diseases Heidelberg University Hospital and German Cancer Research Center Heidelberg Hospital Universitario La Paz–Instituto de Investigación del Hospital Universitario La Paz Madrid Evangelische Kliniken Gelsenkirchen Gelsenkirchen L’Institut du Cancer de Montpellier–Val d’Aurelle Montpellier Providence Cancer Institute Portland OR the Department of Surgery Oncology and Gastroenterology University of Padua and Oncology 2 Istituto Oncologico Veneto IRCCS Padua Stanford University School of Medicine Stanford CA Arbeitsgemeinschaft Gynäkologische Onkologie–Breast and Sana Klinikum Offenbach Offenbach the National Cancer Institute Mexico City the Department of Gynecology and Obstetrics University Hospital Erlangen Comprehensive Cancer Center Erlangen–EMN Friedrich–Alexander University Erlangen–Nuremberg Erlangen Yale University School of Medicine Yale Cancer Center and Smilow Cancer Hospital New Haven CT the All-Ireland Cooperative Oncology Research Group German Breast Group Neu-Isenburg Fudan University Shanghai Cancer Center Shanghai China Institute for Oncology and Radiology of Serbia Belgrade Grupo Médico Ángeles Guatemala City Guatemala Roche Products Welwyn Garden City United Kingdom F. Hoffmann–La Roche Basel Switzerland

Background:Patients with human epidermal growth factor receptor 2(HER2)-positive early breast cancer with residual invasive disease after neoadj.vant systemic therapy have a high risk of recurrence and *** primary analysis of KATHERINE,a phase 3,open-label trial,showed that the risk of invasive breast cancer or death was 50%lower with adj.vant trastuzumab emtansine(T-DM1)than with trastuzumab alone.

关键词： Survival cancer breast

Roles of the main olfactory and vomeronasal systems in the detection of androstenone in inbred strains of mice

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Current Zoology 2010年第6期56卷 813-818页

作者： Vera V. VOZNESSENSKAYA Maria A. KLYUCHNIKOVA charles j. WYSOCKI A.N. Severtzov Institute of Ecology & Evolution RAS Monell Chemical Senses Center

We investigated the role of the main olfactory and accessory olfactory systems （MOS and AOS respectively） in the detection of androstenone. We used the following experimental approaches： behavioral, surgical removal of the vomeronasal organ （VNX） followed by histochemical verification and Fos immunohistochemistry. Using a Y-maze paradigm we estimated sensitivity of NZB/B1Nj.and CBA/j.mice to androstenone. CBA mice were 2,000-fold more sensitive to androstenone than NZB mice. VNX caused a 4-tol6-fold decrease in sensitivity to androstenone in highly-sensitive CBA mice, but did not affect thresholds in NZB mice. Results indicate the involvement of the MOS and AOS in the detection of androstenone. We observed a specific pattern of Fos-positive cells in the main olfactory bulb of CBA mice but not in NZB mice subsequent to exposure of mice to androstenone; the compound activated cells in the accessory olfactory bulb in both strains of mice, indicating the involvement of the vomeronasal organ. Patterns of Fos-positive cells in the vomeronasal organ were recorded subsequent to exposure to androstenone. Fos-positive receptor cells in the vomeronasal organ of CBA and NZB mice were different, in CBA mice Fos-positive cells were noted in both the basal and apical zones, however, in NZB mice activation was observed only in the apical zone [Current Zoology 56 （6）： 813-818, 2010].

关键词： Olfaction Vomeronasal organ Chemosensory receptors Olfactory behavior Immunohistochemistry