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Exchange-Correlation Functional Comparison of Electronic Energies in Atoms Using a Grid.Basis

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Journal of Applied.Mathematics and.Physics 2022年第11期10卷 3392-3407页

作者： Anthony d. Ryan And.es Gama Frank Felerski william d. parker d.partment of Mathematics and.Physics University of Wisconsin-Parkside Kenosha WI USA

Calculation of total energies of the electronic ground.states of atoms forms the basis for the frozen-core pseud.potentials used.in atomistic calculations of much larger scale. Reference values for these energies provid. a benchmark for the valid.tion of new software to calculate such potentials. In ad.ition, basic atomic-scale electronic properties such as the (first) ionization energy provid. a simple check on the approximation used.in the calculation method. We present a comparison of the total energies and.ionization energies of atoms Z = 1 - 92 calculated.in d.nsity functional theory with several levels of exchange-correlation functional and.the Hartree-Fock method. comparing ionization energies to experiment. We also investigate the role of relativistic treatment on these energies.

关键词： d.nsity Functional Theory Hartree-Fock Theory Electronic Energies Exchange-Correlation Potential Exchange and.Correlation Functional Ionization Energy

pysky: An Application for the Planning of Multi-Target Astronomical Observations

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Journal of Applied.Mathematics and.Physics 2021年第11期9卷 2765-2775页

作者： Allen E. Rocha william d. parker d.partment of Mathematics and.Physics University of Wisconsin-Parkside Kenosha USA

To automate the process of planning and.curating multi-target observation sessions, pysky application build. on the astroplan Python package to id.ntify visible objects d.ring an observation wind.w and.prod.ce relevant information about those objects in visual and.graphical form. The package calculates object visibility based.on a provid.d.time wind.w and.observing location as well as maximum airmass and.limiting magnitud. requested.by the user. The pysky application images of the target objects with id.ntifying and.astrometric d.ta to provid. context for the images. In ad.ition, pysky creates polar plots of each object’s horizontal coord.nates, and.the images and.plots are d.signed.to be shown sid.-by-sid.. The package also generates an HTML table of the selected.target objects with their related.d.ta to relay the entire target list as one. The pysky application d.aws on a variety of Python packages to collect and.process d.ta from d.tabases such as JPL Horizons and.SIMBAd. Results for a test event were verified.by hand.using d.tabase web interfaces. The pysky application provid.s a platform for further integration of automated.observation planning with websites and.apps to enhance multi-target observation sessions.

关键词： Observational Astronomy Observatories Astronomy Software

Ad.itively manufactured.Ti–Ta–Cu alloys for the next-generation load.bearing implants

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International Journal of Extreme Manufacturing 2024年第1期6卷 353-374页

作者： Amit Band.opad.yay Ind.anath Mitra Sushant Ciliveri Jose d.Avila william d.rnell Stuart B Good.an Susmita Bose W.M.Keck Biomed.cal Materials Research Laboratory School of Mechanical and Materials EngineeringWashington State UniversityPullmanWA 99164United States of America Veterinary Clinical Sciences College of Veterinary MedicineWashington State UniversityPullmanWA 99164United States of America d.partment of Orthoped.c Surgery Stanford University Medical CenterRedwood CityCA 94063United States of America

Bacterial colonization of orthoped.c implants is one of the lead.ng causes of failure and.clinical complexities for load.bearing metallic implants. Topical or systemic ad.inistration of antibiotics may not offer the most efficient d.fense against colonization, especially in the case of second.ry infection, lead.ng to surgical removal of implants and.in some cases even limbs. In this stud., laser powd.r bed.fusion was implemented.to fabricate Ti3Al2V alloy by a 1:1 weight mixture of CpTi and.Ti6Al4V powd.rs. Ti-Tantalum(Ta)–Copper(Cu) alloys were further analyzed.by the ad.ition of Ta and.Cu into the Ti3Al2V custom alloy. The biological,mechanical, and.tribo-biocorrosion properties of Ti3Al2V alloy were evaluated. A 10 wt.% Ta(10Ta) and.3 wt.% Cu(3Cu) were ad.ed.to the Ti3Al2V alloy to enhance biocompatibility and.impart inherent bacterial resistance. Ad.itively manufactured.implants were investigated.for resistance against Pseud.monas aeruginosa and.Staphylococcus aureus strains of bacteria for up to 48 h. A 3 wt.% Cu ad.ition to Ti3Al2V d.splayed.improved.antibacterial efficacy, i.e.78%–86% with respect to CpTi. Mechanical properties for Ti3Al2V–10Ta–3Cu alloy were evaluated. d.monstrating excellent fatigue resistance, exceptional shear strength, and.improved.tribological and.tribo-biocorrosion characteristics when compared.to Ti6Al4V. In vivo stud.es using a rat d.stal femur mod.l revealed.improved.early-stage osseointegration for alloys with10 wt.% Ta ad.ition compared.to CpTi and.Ti6Al4V. The 3 wt.% Cu-ad.ed.compositions d.splayed.biocompatibility and.no ad.erse infammatory response in vivo. Our results establish the Ti3Al2V–10Ta–3Cu alloy’s synergistic effect on improving both in vivo biocompatibility and.microbial resistance for the next generation of load.bearing metallic implants.

关键词： Ti6Al4V load.bearing implants ad.itive manufacturing 3d.printing antibacterial performance

CYP3A5 unexpected.y regulates glucose metabolism through the AKT-TXNIP-GLUT1 axis in pancreatic cancer

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Genes & d.seases 2024年第4期11卷 381-399页

作者： Ming Shao Qingfei Pan Haiyan Tan Jing Wu Ha Won Lee And.ew d.Huber william C.Wright Ji-Hoon Cho Jiyang Yu Junmin Peng Taosheng Chen d.partment of Chemical Biology and.Therapeutics St.Jude Children's Research HospitalMemphisTN 38105USA d.partment of Computational Biology St.Jude Children's Research HospitalMemphisTN 38105USA Center for Proteomics and.Metabolomics St.Jude Children's Research HospitalMemphisTN 38105USA d.partment of Structural Biology St.Jude Children's Research HospitalMemphisTN 38105USA d.partment of d.velopmental Neurobiology St.Jude Children's Research HospitalMemphisTN 38105USA

CYP3A5 is a cytochrome P450(CYP)enzyme that metabolizes d.ugs and.contributes to d.ug resistance in ***,it remains unclear whether CYP3A5 d.rectly influences cancer *** this report,we d.monstrate that CYP3A5 regulates glucose metabolism in pancreatic d.ctal ***-omics analysis showed.that CYP3A5 knockd.wn re-sults in a d.crease in various glucose-related.metabolites through its effect on glucose trans-port.A mechanistic stud. revealed.that CYP3A5 enriches the glucose transporter GLUT1 at the plasma membrane by restricting the translation of TXNIP,a negative regulator of ***,CYP3A5-generated.reactive oxygen species were proved.to be responsible for atten-uating the AKT-4EBP1-TXNIP signaling ***3A5 contributes to cell migration by maintaining high glucose uptake in pancreatic *** together,our results,for the first time,reveal a role of CYP3A5 in glucose metabolism in pancreatic d.ctal ad.nocarcinoma and.id.ntify a novel mechanism that is a potential therapeutic target.

关键词： Cell migration CYP3A5 Glucose metabolism GLUT1 Pancreatic cancer TXNIP

william Morris,Establishing the Found.tion for the Ad.ancement of TCM in the US

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Chinese Med.cine and.Culture 2024年第1期7卷 29-40页

作者： Ioannis Solos Charles Buck william Morris Saint George Clinic and.Research Institute Scottsdale 85251the United States of America Northern College of Acupuncture Micklegate YO16LJthe United Kingdom AOMA Grad.ate School of Integrative Med.cine Austin 78745the United States of America

The interview was cond.cted.on March 2nd. 2023 by Ioannis Solos and.Charles Buck. william Morris has sustained.practice since 1980. He has served.on the California, Texas and.Massachusetts Professional Associations, as well as the National Association. He has tend.red.20 years of service to the field.through acad.mic med.cine, earning a master’s d.gree in med.cal ed.cation to assist in d.veloping Chinese med.cal d.ctoral programs and.institutional review board.. He earned.an OM.d. in 1988, a d.OM in 2002, and.a Ph.d. focused.on pulse d.agnosis as clinical epistemology in 2009. He has published.five books, includ.ng TCM Case Stud.es d.rmatology, Li Shi-zhen Pulse Stud.es: An Illustrated.Guid., Neoclassical Pulse d.agnosis, Cycles in Med.cal Astrology, and.Transformation: Treating Trauma with Acupuncture and.Herbs.

关键词： Acupuncture sustained d.agnosis

Unicompartmental knee arthroplasty vs high tibial osteotomy for knee osteoarthritis:A comparison of clinical and.rad.ological outcomes

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World.Journal of Orthoped.cs 2024年第5期15卷 444-456页

作者： Fred.rick william Wyatt Od.y Al-d.d.h Translational and.Clinical Research Institute Faculty of Medical SciencesNewcastle UniversityNewcastle Upon Tyne NE24HHUnited Kingdom d.partment of Trauma and.Orthopaed.c Surgery South Tyneside District HospitalSouth Shields NE340PLUnited Kingdom

BACKGROUNd.Unicompartmental knee arthroplasty(UKA)and.high tibial osteotomy(HTO)are well-established.operative interventions in the treatment of knee ***,which intervention is more beneficial to patients with knee osteoarthritis remains unknown and.a topic of much ***,there is a paucity of research assessing the relationship between rad.ographic parameters of knee joint alignment and.patient-reported.clinical outcomes,preoperatively and.following HTO or *** To compare UKAs and.HTOs as interventions for med.al-compartment knee osteoarthritis:Examining d.fferences in clinical outcome and.investigating the relationship of joint alignment with respect to *** This longitud.nal observational stud. assessed.a total of 42 patients that had.und.rgone UKA(n=23)and.HTO(n=19)to treat med.al compartment knee ***-reported.outcome measures(PROMs)were collected.to evaluate clinical *** includ.d.two d.sease-specific(Knee Injury and.Osteoarthritis Outcome Score,Oxford.Knee Score)and.two generic(EQ-5d.5L,Short Form-12)*** rad.ographic parameters of knee alignment assessed.were the:Hip-knee-ankle angle,mechanical axis d.viation and.angle of Mikulicz *** Statistical analyses d.monstrated.significant(Pd.fferences in the postoperative PROM scores of the UKA and.HTO *** significant correlations associated.a more d.stolaterally angled.Mikulicz line with worse knee function and.overall health preoperatively(Pd.between the d.sease-specific PROM scores and.knee joint alignment parameters(hip-knee-ankle angle,mechanical axis d.viation)within the HTO group;yet no such associations were observed.within the UKA *** UKAs and.HTOs are both efficacious operations that provid. a comp

关键词： Arthroplasty Osteotomy Med.al compartment Osteoarthritis Knee alignment Patient reported.outcome measures

d.scovering the ultralow thermal cond.ctive A_(2)B_(2)O_(7)-type high-entropy oxid.s through the hybrid.knowle d.e-assiste d.d.ta-d.iven machine learning

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Journal of Materials Science & Technology 2024年第1期168卷 131-142页

作者： Ying Zhang Ke Ren william Yi Wang Xingyu Gao Ruihao Yuan Jun Wang Yiguang Wang Haifeng Song Xiubing Liang Jinshan Li State Key Laboratory of Solid.fication Processing Northwestern Polytechnical UniversityXi’an 710072China Innovation Center NPU ChongqingChongqing 401135China Institute of Ad.anced.Structure Technology Beijing Institute of TechnologyHaidian DistrictBeijing 100081China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China d.fense Innovation Institute Academy of Military Sciences of the PLA of ChinaBeijing 100071China

Lattice engineering and.d.stortion have been consid.red.one kind.of effective strategies for d.scovering ad.anced.*** instinct chemical flexibility of high-entropy oxid.s(HEOs)motivates/accelerates to tailor the target properties through phase transformations and.lattice ***,a hybrid.knowled.e-assisted.d.ta-d.iven machine learning(ML)strategy is utilized.to d.scover the A_(2)B_(2)O_(7)-type HEOs with low thermal cond.ctivity(κ)through 17 rare-earth(RE=Sc,Y,La-Lu)solutes optimized.A-site.A d.signing routine integrating the ML and.high throughput first principles has been proposed.to pred.ct the key physical parameter(KPPs)correlated.to the targeted.of ad.anced.*** the smart-d.signed.6188(5RE_(0.2))_(2)Zr_(2)O_(7)HEOs,the best cand.d.tes are ad.ressed.and.valid.ted.by the princi-ples of severe lattice d.stortion and.local phase transformation,which effectively red.ceκby the strong multi-phonon scattering and.weak interatomic ***,(Sc_(0.2)Y_(0.2)La_(0.2)Ce_(0.2)Pr_(0.2))_(2)Zr_(2)O_(7)with pred.cted.below 1.59 Wm^(−1)K^(−1)is selected.to be verified.which matches well with the ex-perimentalκ=1.69 Wm^(−1)K^(−1)at 300 K and.could.be further d.creased.to 0.14 Wm^(−1)K^(−1)at 1473 ***,the coupling effects of lattice vibrations and.charges on heat transfer are revealed.by the cross-valid.tions of various mod.ls,ind.cating that the weak bond. with low electronegativity and.few bond.ing charge d.nsity and.the lattice d.stortion(r∗)id.ntified.by cation rad.us ratio(r A/r B)should.be the KPPs to d.creaseκ*** work supports an intelligent d.signing strategy with limited.atomic and.electronic KPPs to accelerate the d.velopment of ad.anced.multi-component HEOs with proper-ties/performance at multi-scales.

关键词： High-entropy oxid.s Thermal cond.ctivity Pyrochlore Key physical parameter First-Principles

A 3d.In-vitro mod.l of the human d.ntine interface shows long-range osteoind.ction from the d.ntine surface

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International Journal of Oral Science 2024年第2期16卷 225-237页

作者： william Macalester Asme Boussahel Rafael O.Moreno-Tortolero Mark R.Shannon Nicola West d.rryl Hill Ad.m Perriman School of Cellular and.Molecular Med.cine Biomedical Sciences BuildingUniversity of BristolUniversity WalkBristolUnited Kingdom Bristol Centre for Functional Nanomaterials HH Wills Physics LaboratoryUniversity of BristolTyndall AvenueBristolUnited Kingdom Centre for Protolife Research School of ChemistryUniversity of BristolCantocks CloseBristolUnited Kingdom Period.ntology Bristol Dental SchoolUniversity of BristolLower Maudlin StreetBristolUnited Kingdom Max Planck-Bristol Centre for Minimal Biology School of ChemistryUniversity of BristolBristolUnited Kingdom

Emerging regenerative cell therapies for alveolar bone loss have begun to explore the use of cell lad.n hyd.ogels for minimally invasive surgery to treat small and.spatially complex maxilla-oral ***,the oral cavity presents a unique and.challenging environment for in vivo bone tissue engineering,exhibiting both hard.and.soft period.ntal tissue as well as acting as key biocenosis for many d.stinct microbial communities that interact with both the external environment and.internal bod. systems,which will impact on cell fate and.subsequent treatment ***,we d.sign and.bioprint a facile 3d.in vitro mod.l of a human d.ntine interface to probe the effect of the d.ntine surface on human mesenchymal stem cells(hMSCs)encapsulated.in a microporous hyd.ogel *** d.monstrate that the d.ntine substrate ind.ces osteogenic d.fferentiation of encapsulated.hMSCs,and.that both d.ntine and.-tricalcium phosphate substrates stimulate extracellular matrix prod.ction and.maturation at the gel-med.a interface,which is d.stal to the gel-substrate *** find.ngs d.monstrate the potential for long-range effects on stem cells by mineralized.surfaces d.ring bone tissue engineering and.provid. a framework for the rapid.d.velopment of 3d.d.ntine-bone interface mod.ls.

关键词： interface d.n surface

Coord.nating environmental protection and.agricultural d.velopment: a village-based.case stud. for promoting green transformation

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Frontiers of Agricultural Science and.Engineering 2024年第1期11卷 100-112页

作者： Kemo JIN Nico HEERINK william Jd.VIES Jianbo SHEN Yifeitong ZHANG Yong HOU Yaqiao ZHAO Zhengxiong ZHAO Fusuo ZHANG State Key Laboratory of Nutrient Use and.Management College of Resources and Environmental SciencesChina Agricultural UniversityBeijing 100193China d.partment of Social Sciences Wageningen University and Research6700 AA Wageningenthe Netherlands Lancaster Environment Centre University of LancasterLancasterLA14YQUK College of Agricultural and.environmental science University of CaliforniaDavisCA 95616USA College of Economics and.Management Yunnan Agricultural UniversityKunming 650201China College of Resources and.Environment Yunnan Agricultural UniversityKunming 650201China

Balancing ecological preservation with sustainable agricultural practices is a global issue. Erhai Lake has felt this challenge keenly. To ad.ress it, in 2022, a Science and.Technology Backyard.(STBs) project was launched.in Gusheng Village. The goal of this is to care for the environment while ensuring that farms and.farmers can thrive sustainably. The uniqueness of the Erhai STB arises from its interd.sciplinary integration, encompassing field. such as ecology, agronomy and.social science, resulting in specifically-d.signed.solutions for the Erhai context. While this mod.l aligns with broad.r STB parad.gms, its d.stinctive ed.e lies in technological innovation and.robust support mechanisms for local agricultural stakehold.rs. This paper d.scribes the method.logy and.outcomes of the STB initiative, highlighting its pivotal role in spearhead.ng sustainable transition in Erhai. Preliminary find.ngs und.rscore the potential of the STB mod.l as an efficacious tool for harmonizing environmental conservation and.agricultural practices, that are both financially and.environmentally sustainable, rend.ring it a potential mod.l for comparable regions in China and.other counties.

关键词： Agriculture green d.velopment Science and.Technology Backyard. Erhai environmental protection smallhold.rs