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Tuning MXenes Towards Their Use in Photocatalytic Water Splitting

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Energy & Environmental Materials 2024年第6期7卷 321-331页

作者： Diego Ontiveros Sergi vela Francesc Viñes Carmen Sousa Departament de Ciència de Materials i Química Física&Institut de Química Teòrica i Computacional(IQTCUb) Universitat de Barcelonac/Martíi Franquès 1-1108028 BarcelonaSpain

Finding appropriate photocatalysts for solar-driven water(H_(2)O)splitting to generate hydrogen(H_(2))fuel is a challenging task,particularly when guided by conventional trial-and-error experimental ***,density functional theory(DFT)is used to explore the MXenes photocatalytic properties,an emerging family of two-dimensional(2D)transition metal carbides and nitrides with chemical formula M_(n+1)X_(n)T_(x),known to be semiconductors when having T_(x)*** than 4,000 MXene structures have been screened,considering different compositional(M,X,T_(x),and n)and structural(stacking and termination position)factors,to find suitable MXenes with a bandgap in the visible region and band edges that align with the water-splitting half-reaction *** from bandgap analysis show how,in general,MXenes with n=1 and transition metals from group III present the most cases with bandgap and promising sizes,with C-MXenes being superior to *** band alignment calculations of candidate systems with a bandgap larger than 1.23 eV,the minimum required for a water-splitting process,Sc_(2)CT_(2),Y_(2)CT_(2)(T_(x)=Cl,br,S,and Se)and Y_(2)CI_(2)are highlighted as adequate photocatalysts.

关键词： Density Functional Theory MXenes Photocatalysis Water Splitting

bayesian optimization with active learning of design constraints using an entropy-based approach

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npj Computational Materials 2023年第1期9卷 1866-1879页

作者： Danial Khatamsaz b.ent vela Prashant Singh Duane D.Johnson Douglas Allaire Raymundo Arróyave J.Mike Walker’66 Department of Mechanical Engineering Texas A&M UniversityCollege StationTX 77843USA Department of Materials Science and Engineering Texas A&M UniversityCollege StationTX 77843USA Ames Laboratory U.S.Department of EnergyIowa State UniversityAmesIA 50011USA Department of Materials Science&Engineering Iowa State UniversityAmesIA 50011USA Department of Industrial and Systems Engineering Texas A&M UniversityCollege StationTX 77843USA

The design of alloys for use in gas turbine engine blades is a complex task that involves balancing multiple objectives and *** alloys must be ductile at room temperature and retain their yield strength at high temperatures,as well as possess low density,high thermal conductivity,narrow solidification range,high solidus temperature,and a small linear thermal expansion *** Integrated Computational Materials Engineering(ICME)methods are not sufficient for exploring combinatorially-vast alloy design spaces,optimizing for multiple objectives,nor ensuring that multiple constraints are *** this work,we propose an approach for solving a constrained multi-objective materials design problem over a large composition space,specifically focusing on the Mo-Nb-Ti-V-W system as a representative Multi-Principal Element Alloy(MPEA)for potential use in next-generation gas turbine *** approach is able to learn and adapt to unknown constraints in the design space,making decisions about the best course of action at each stage of the *** a result,we identify 21 Pareto-optimal alloys that satisfy all *** proposed framework is significantly more efficient and faster than a brute force approach.

关键词： alloys solidification alloy

bispecific sigma-1 receptor antagonism and mu-opioid receptor partial agonism:WLb-73502,an analgesic with improved efficacy and safety profile compared to strong opioids

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Acta Pharmaceutica Sinica b 2023年第1期13卷 82-99页

作者： Alba Vidal-Torres begoña Fernández-Pastor Mónica García Eva Ayet Anna Cabot Javier burgueño Xavier Monroy bertrand Aubel Xavier Codony Luz Romero Rosalía Pascual Maria Teresa Serafini Gregorio Encina Carmen Almansa Daniel Zamanillo Manuel Merlos JoséMiguel vela WeLab barcelona Parc Cientific de BarcelonaBarcelona 08028Spain

Opioids are the most effective painkillers,but their benefit-risk balance often hinder their therapeutic ***-73502 is a dual,bispecific compound that binds sigma-1(S1R)and mu-opioid(MOR)***-73502 is an antagonist at the *** behaved as a partial MOR agonist at the G-protein pathway and produced no/unsignificantβ-arrestin-2 recruitment,thus demonstrating low intrinsic efficacy on MOR at both signalling *** its partial MOR agonism,WLb-73502exerted full antinociceptive efficacy,with potency superior to morphine and similar to oxycodone against nociceptive,inflammatory and osteoarthritis pain,and superior to both morphine and oxycodone against neuropathic ***-73502 crosses the blood-brain barrier and binds brain S1R and MOR to an extent consistent with its antinociceptive *** to morphine and oxycodone,tolerance to its antinociceptive effect did not develop after repeated 4-week ***,contrary to opioid comparators,WLb-73502 did not inhibit gastrointestinal transit or respiratory function in rats at doses inducing full efficacy,and it was devoid of proemetic effect(retching and vomiting)in ferrets at potentially effective ***-73502 benefits from its bivalent S1R antagonist and partial MOR agonist nature to provide an improved antinociceptive and safety profile respect to strong opioid therapy.

关键词： WLb-73502 Sigma-1 receptor Mu-opioid receptor biased agonist Analgesic activity Chronic pain Neuropathic pain Safety

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Anisotropic strange quark star in Finch-Skea geometry and its maximum mass for non-zero strange quark mass(m_(s)≠0)

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Chinese Physics C 2023年第5期47卷 195-210页

作者： b.Das K.b.Goswami A.Saha P.K.Chattopadhyay Department of Physics Coochbehar Panchanan Barma UniversityVivekananda StreetCoochbehar 736101West BengalIndia Department of Physics Alipurduar CollegeAlipurduar 736122West BengalIndia

A class of relativistic astrophysical compact objects is analyzed in the modified Finch-Skea geometry described by the MIT bag model equation of state of interior matter,p=1/3(ρ-4b),where b is known as the bag constant.b plays an important role in determining the physical features and structure of strange *** consider the finite mass of the strange quark(m_(s)≠0) and study its effects on the stability of quark matter inside a *** note that the inclusion of strange quark mass affects the gross properties of the stellar configuration,such as maximum mass,surface red-shift,and the radius of strange quark *** apply our model physically,we consider three compact objects,namely,(ⅰ) vela X-1,(ⅱ) 4U 1820-30,and(ⅲ) PSR J 1903+327,which are thought to be strange *** range of b is restricted from 57.55 to bstable(MeV/fm3),for which strange matter might be stable relative to iron(^(56)Fe).However,we also observe that metastable and unstable strange matter depend on b and *** energy conditions hold well in this *** in terms of the Lagrangian perturbation of radial pressure is studied in this paper.

关键词： compact star strange star anisotropy MIT EoS strange quark mass

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Evaluation of the Marginal Adaptation in Metal Crowns Using CAD/CAM and Manual Wax Patterns

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Microscopy Research 2015年第2期3卷 26-32页

作者： Alan Sepulveda-Rodríguez Felipe Guerrero-Martínez César Gaitan-Fonseca Takashi Komabayashi Enrique Reyes-vela David Masuoka Department of Stomatology Universidad Autónoma de Aguascalientes Aguascalientes Mexico Faculty of Dentistry Universidad Autónoma de San Luis Potosí San Luis Potosí Mexico Department of Endodontics West Virginia University Charleston USA

The aim of this study is to evaluate the maximum and minimum distances between the model and the cast crown of three techniques using Scanning Electron Microscopy (SEM). Three technique groups were used for this study: group A (control), traditional manual wax patterns;group b, dipping wax patterns;group C, resin patterns made with CAD/CAM. For each group, 10 samples were made using the same model, and then metal cast. Marginal accuracies of the samples were evaluated by performing gap measurements using SEM with a magnification of 1200× (minimum distance). The data were statistically analyzed using the one-way analysis of variance (ANOVA) at the 0.05 significance level. The average (standard deviation) of the minimum distance [μm] was 22.5 (12.1), 9.9 (4.3), and 14.7 (6.6), in groups A, b, and C, respectively. The average standard deviation of gap area [μm2] was 21667.2 (3476.4), 9906.4 (1512.1), and 16048.8 (8123). In the minimum distance comparison, groups A and b (p = 0.006) showed statistically significant results. In the gap area comparison, there was no statistical significance among groups A, b, and C (p = 0.174). The marginal adaptations of all three techniques were within a reported clinically acceptable range of margin.

关键词： Marginal Adaptation CAD/CAM Metal Caps Wax Pattern

Construction and Characterization of Dye-Sensitized Solar Cells

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材料科学与工程（中英文b版） 2013年第8期3卷 535-538页

作者： Pablo Cesar Carbo vela Enrique Martinez Pena Juan Lopez Hemandez Eddie Nahflm Armendariz Mireles Jose Amparo Rodriguez Garcia Enrique Rocha Rangel Polytechnic University of Victory Victoria City Tamaulipas 87138 Mexico

Strange quark mass(ms)dependent model of anisotropic strange quark star

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Chinese Physics C 2023年第9期47卷 145-161页

作者： A.Hakim K.b.Goswami P.K.Chattopadhyay Department of Physics Coochbehar Panchanan BarmaUniversityVivekananda StreetDistrict:Coochbehar736101West BengalIndia

This article presents the configuration of strange quark stars in hydrostatic equilibrium considering the Vaidya-Tikekar metric *** interior of such stars comprises strange quark matter(henceforth SQM),whose equation of state(hencefor orth EoS)is described by the MIT EoS p=1/3(p-4b),where b is the difference between perturbative and non-perturbative *** have included the mass of the strange quark into the EoS and studied its effect on the overall properties of the strange quark star in this *** is observed that the maximum mass reaches its highest value *** have evaluated the range of the maximum mass of the strange quark star by solving the TOV equation for 57.55bble strange quark matter at a zero external pressure condition with respect to *** mass lies within the range of to when b ranges from 57.55 to 91.54MeV/fm^(3)and ms=*** is noted that the maximum mass decreases with an increase *** model is found suitable for describing the mass of pulsars such as PSR J1614-2230 and vela X-1 and the secondary objects in the GW170817 *** model is also useful in predicting the radius of the recently observed pulsars PSR J0030+0451,PSR J0740+6620,and PSR J0952-0607 and the secondary objects in the GW170817 and GW190814 *** model is found to be stable with respect to all stability criteria of the stellar configurations and is also stable with respect to small perturbations.

关键词： Einstein field equation strange star strange quark mass MIT bag model

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Anisotropic strange quark star in Finch-Skea geometry and its maximum mass for non-zero strange quark mass(m≠ 0)

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Chinese Physics C 2023年 201-216页

作者： b.Das K.b.Goswami A.Saha P.K.Chattopadhyay Department of Physics Coochbehar Panchanan Barma University Department of Physics Alipurduar College

A class of relativistic astrophysical compact objects is analyzed in the modified Finch-Skea geometry de-scribed by the MIT bag model equation of state of interior matter, p =1/3(ρ-4b), where b is known as the bag con-stant. b plays an important role in determining the physical features and structure of strange stars. We consider the finite mass of the strange quark( ms 0) and study its effects on the stability of quark matter inside a star. We note that the inclusion of strange quark mass affects the gross properties of the stellar configuration, such as maximum mass, surface red-shift, and the radius of strange quark stars. To apply our model physically, we consider three compact objects, namely,(i) vela X-1,(ii) 4U 1820-30, and(iii) PSR J 1903+327, which are thought to be strange stars. The range of b is restricted from 57.55 to bstable( MeV/fm3), for which strange matter might be stable relative to iron(56Fe). However, we also observe that metastable and unstable strange matter depend on b and ms. All energy conditions hold well in this approach. Stability in terms of the Lagrangian perturbation of radial pressure is studied in this paper.

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Moving beyond Wastewater:Perspectives on Environmental Surveillance of Infectious Diseases for Public Health Action in Low-Resource Settings

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Environment & Health 2024年第10期2卷 684-687页

作者： Jeseth Delgado vela Sarah E.Philo Joe brown Mami Taniuchi Molly Cantrell Alexandra Kossik Maya Ramaswamy Sitara SR Ajjampur Fatma Z.Guerfali Rochelle H.Holm John Scott Meschke Maria Catherine b.Otero Amy J.Pickering Mahbubur Rahman Alexander G.Shaw Abhilasha Shrestha Kwanrawee Sirikanchana Vivi Maketa Tevuzula Rolf U.Halden Alexandria b.boehm Kyle bibby Department of Civil and Environmental Engineering Duke UniversityDurhamNorth Carolina 27710United States Department of Civil and Environmental Engineering and Earth Sciences University of Notre DameSouth BendIndiana 46556United States Department of Civil and Environmental Engineering University of Southern California Los AngelesCA 90007USA Department of Environmental Sciences and Engineering University of North Carolina at Chapel HillChapel HillNorth Carolina 27599United States Division of Infectious Diseases and International Health University of VirginiaCharlottesvilleVirginia 22903United States Waterborne Disease Prevention branch U.S.Centers for Disease ControlAtlantaGeorgia 30329United States The Wellcome Trust Research Laboratory Christian Medical CollegeVellore 632004India Laboratory of Transmission Control and Immunobiology of Infections(LTCII)Institut Pasteur de TunisTunis-Belvédère 1002Tunisia UniversitéTunis El Manar Tunis 1002Tunisia Christina Lee brown Envirome Institute School of MedicineUniversity of LouisvilleLouisvilleKentucky 40202United States Department of Environmental and Occupational Health Sciences School of Public HealthUniversity of WashingtonSeattleWashington 98195United States College of Medicine University of the Philippines ManilaManila 2801Philippines Department of Civil and Environmental Engineering University of CaliforniaBerkeleyBerkeleyCalifornia 94720United States Institute of Epidemiology Disease Control and Research(IEDCR)Dhaka 1212Bangladesh Department of Infectious Disease Epidemiology Imperial College LondonLondon SW72AZU.K. Division of Environmental and Occupational Health Sciences University of Illinois Chicago School of Public HealthChicagoIllinois 60612United States Research Laboratory of biotechnology Chulabhorn Research InstituteBangkok 10210Thailand Department of Tropical Medicine University of KinshasaKinshasa/DR 63090201Congo School of Sustainable Engineering and the built Environment Arizona State UniversityTempe

Although testing wastewater for public health surveillance has recently received significant attention in the United States,researchers and public health professionals have long realized the tremendous promise of environmental surveillance(ES),defined as tracking pathogens of interest in fecally contaminated surface waters,soil,or fomites,in low-resource settings for public health action.1,2 The power of ES in lowresource settings is most clearly illustrated with the over 30 years of well-established and standardized polio *** part of the Global Polio Eradication Initiative,the World Health Organization(WHO)has accredited 146 laboratories within the Global Polio Lab Network(GPLN).These facilities across 92 countries process over 8,000 wastewater or fecally contaminated surface water samples per year,in addition to over 220,000 stool samples annually.3 The data generated from the GPLN are closely linked to clear public health action related to targeted vaccination *** investment and adoption of ES for polio eradication efforts serves as a use-case for other targets of *** explore the current state of the field,the National Science Foundation-funded Research Coordination Network(RCN)on Wastewater based Epidemiology for SARS-CoV-2 and Emerging Public Health Threats held a workshop in December 2023 to discuss the opportunities and challenges for ES in low-resource settings(Figure 1).Discussions during the workshop highlighted knowledge gaps,best-practices,target selection,academic/government/private partnerships and overall public health action and sustainability of these programs.

关键词： wastewater Wastewater annually