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Dynamical downfolding for localized quantum states

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npj Computational Materials 2023年第1期9卷 1050-1058页

作者： Mariya Romanova Guorong Weng Arsineh Apelian vojtěch vlček Department of chemistry and Biochemistry University of CaliforniaSanta BarbaraCA 93106-9510USA Department of Materials University of CaliforniaSanta BarbaraCA 93106-9510USA

We introduce an approach to treat localized correlated electronic states in the otherwise weakly correlated host ***,the environment is dynamically downfolded on the correlated *** is captured via renormalization of one and two quasiparticle interaction terms which are evaluated using many-body perturbation *** outline the strategy on how to take the dynamical effects into account by going beyond the static limit ***,we introduce an efficient stochastic implementation that enables treating the host environment with a large number of electrons at a minimal computational *** a small explicitly correlated subspace,the dynamical effects are *** demonstrate the methodology by reproducing optical excitations in the negatively charged NV center defect in diamond,that agree with experimental results.

关键词： theory subspace states

Phylogenetic placement of bizarre karschiellid earwigs

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Insect Science 2024年第3期31卷 989-992页

作者： Petr Kocárek Ivona Horká vojtěch Bonczek Markéta Kirstová Department of Biology and Ecology University of OstravaOstravaCzech Republic

Dear Editor,Karschiellidae are a mysterious group of earwigs that attract attention not only because of their interesting appearance and unexplained way of life but also mainly due to their unclear *** phylogenetic relationships of karschiellids remain speculative even 120 years since the family was described,above all due to the unavailability of DNA-grade material for molecular phylogenetic *** study includes successfully sequenced representatives of the Karschiellidae for the first time,and a probable evolutionary scheme and natural classification of karschiellids are proposed based on the constructed multigene phylogeny.

关键词： classification. phylogeny evolutionary

Liquid superlubricity of lubricants containing hydroxyl groups and their aqueous solution under rolling/sliding conditions

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Friction 2024年第1期12卷 164-173页

作者： Tomáš POLÁČek Petr ŠPERKA Ivan KŘUPKA Faculty of Mechanical Engineering Brno University of TechnologyBrno 61669Czech Republic

Macroscale rolling/sliding conditions are in the superlubricity,a little-studied topic so *** purpose of this paper is to examine the formation of elastohydrodynamic lubrication(EHL)films by water-based lubricants(glycerol and polyethylene glycol(PEG)),providing superlubricous *** were carried out on an optical ball-on-disc tribometer under rolling/sliding *** film thickness was measured by the thin film colorimetric interferometry,and the viscosity of liquids was measured by rotational and high-pressure falling body *** results show that tribochemical reactions are not the mandatory reason for friction to reach the superlubricity level when using the water-based *** studied liquids themselves are almost *** the addition of water,the signs of shear thinning behavior disappear even *** conditions for this type of lubricant can be predicted using the known Hamrock–Dowson *** anomaly in the thickness of the lubricants was observed as an abrupt change at certain *** more PEG there is in the lubricant,the higher the thickness at the beginning of the jump.

关键词： macroscale superlubricity super low traction water-based lubricants elastohydrodynamic lubrication(EHL) film thickness

Geochemistry and mineral chemistry of the armoor granitoids,eastern dharwar craton: implications for the redox conditions and tectono-magmatic environment

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Acta Geochimica 2024年第1期43卷 110-133页

作者： A.Ajay Kumar ch.Ashok Department of Geology Osmania UniversityHyderabad 500007India CSIR-National Geophysical Research Institute UppalHyderabad 500007India

The mineralogical and geochemical characteristics of the K-rich granites from the Armoor granitic rocks in the northeastern portion of the Eastern Dharwar Craton(EDC) are *** order to understand its physicochemical conditions,the petrogenesis of the granitoid was explained from biotite chemistry and geochemical *** of mineral chemistry expose that compositionally,K-feldspar and plagioclase in Armoor granite rocks range from An0,Ab_(3-5.9),Or_(94-96.9) and An_(5-29,-Ab71.9-94.9),Or_(0-1.5),*** mineral chemistry of biotite crystals exhibits composition that varies from primary to re-equilibrated primary *** biotites from the Armoor granites generally exhibit an I-type trend,with calc-alkaline parental magma in a subduction *** chemistry of granites displays magnetite(oxidized)series nature,which has oxygen fugacity(fO_(2))=-15.1 to-16.7(log_(10) bar),under high oxidizing *** and pressure estimates for the crystallization of Armoor granites based on biotite composition are T=612-716 ℃ and 1.0-0.4 kbar,***,these rocks are metaluminous to slightly peraluminous and magnesian,with calc-alkaline potassiumrich *** the chondrite normalized REE diagram,the granites have positive europium anomalies;rich Sr/Y,(Dy/Yb)_(N) ratios and reduced Mg#,Rb/Sr,Rb,Sr indicate that the melting of earlier rocks,crystal accumulation and residual garnet source formed at high *** examined granites show that they are produced from the melting of crustal ***,the extensive analyses of the described Armoor granite suggest that they were produced by crust sources and developed under oxidizing conditions in subduction setting.

关键词： Armoor granites Oxygen fugacity Crystal accumulation Remelting Subduction

Bile acids,gut microbiota,and therapeutic insights in hepatocellular carcinoma

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Cancer Biology & Medicine 2024年第2期21卷 144-162页

作者： Yang Song Harry ch Lau Xiang Zhang Jun Yu Institute of Digestive Disease and Department of Medicine and Therapeutics State Key Laboratory of Digestive DiseaseLi Ka Shing Institute of Health SciencesCUHK Shenzhen Research InstituteThe Chinese University of Hong KongHong KongChina Department of Gastroenterology Zhongshan Hospital Xiamen UniversityXiamen 361004China

Hepatocellular carcinoma(HCC)is a prevalent and aggressive liver *** interplay between bile acids(BAs)and the gut microbiota has emerged as a critical factor in HCC development and *** normal conditions,BA metabolism is tightly regulated through a bidirectional interplay between gut microorganisms and *** gut microbiota plays a critical role in BA metabolism,and BAs are endogenous signaling molecules that help maintain liver and intestinal *** note,dysbiotic changes in the gut microbiota during pathogenesis and cancer development can disrupt BA homeostasis,thereby leading to liver inflammation and fibrosis,and ultimately contributing to HCC ***,understanding the intricate interplay between BAs and the gut microbiota is crucial for elucidating the mechanisms underlying *** this review,we comprehensively explore the roles and functions of BA metabolism,with a focus on the interactions between BAs and gut microorganisms in ***,therapeutic strategies targeting BA metabolism and the gut microbiota are discussed,including the use of BA agonists/antagonists,probiotic/prebiotic and dietary interventions,fecal microbiota transplantation,and engineered *** summary,understanding the complex BA-microbiota crosstalk can provide valuable insights into HCC development and facilitate the development of innovative therapeutic approaches for liver malignancy.

关键词： Bile acid gut microbiota hepatocellular carcinoma therapeutics microbiota modulation

Phosphine/Benzocyclone-based Neutral Nickel Catalysts for Ethylene Polymerization and Copolymerization with Polar Monomers

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chinese Journal of Polymer Science 2024年第2期42卷 202-212,I0007页

作者： Fei Wang Li Pan vladislav A.Tuskaev Svetlana ch.Gagieva Yue-Sheng Li Tianjin Key Lab of Composite&Functional Materials School of Material Science and EngineeringTianjin UniversityTianjin300072China Department of chemistry Lomonosov Moscow State UniversityRussian Federation InstitutionLeninskie Gory 1Moscow119991Russian Federation A N Nesmeyanov Institute of Organoelement Compounds Russian Academy of SciencesVavilova st.28Moscow119991Russian Federation

The efficient copolymerization of olefin with polar monomers using nickel-based catalysts presents a longstanding challenge. In this contribution, three phosphine-benzocyclone ligands and corresponding neutral nickel catalysts(Ni1: Ar = Ph;Ni2: Ar = 2-(C_(6)H_(5))C_(6)H_(4);Ni3: Ar = 2-[2',6'-(Me O)_(2)-C_(6)H3]C_(6)H_(4)) were prepared and applied for the ethylene polymerization and copolymerization with polar monomers without any cocatalyst. The bulky substituent groups in complexes Ni2 and Ni3 contributed to high catalytic activities(up to 7.24×10^(6) and 9.04×10^(6)g·mol Ni^(-1)·h^(-1), respectively), and produced high-molecular-weight polyethylene(Mw up to 545.7 k Da). Complex Ni3 exhibited high activities for ethylene polymerization at the level of 10^(6) g·mol Ni^(-1)·h^(-1) across a wide range from 30 ℃ to 120 ℃, exhibiting excellent high temperature tolerance. These nickel complexes were also effectively employed in the copolymerization of ethylene with methyl acrylate, ethyl acrylate, butyl acrylate and lauryl acrylate, producing copolymers with high molecular weights(Mw up to 80.5 k Da) and high polar monomer incorporation(up to 8.2 mol%). Microstructure analyses revealed that the introduction of large sterically hindered substituents facilitated the incorporation of polar functional units into the polymer backbone. This study demonstrates the potential of these nickel-based catalysts for efficient copolymerization of olefin with polar monomers.

关键词： Neutral nickel catalyst Ethylene polymerization Copolymerization Polar acrylate monomers

A triangular architectural relation model among sustainability,beauty,and power

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Frontiers of Architectural Research 2024年第4期13卷 699-711页

作者： Ján Legény RobertŠpaček TomášHubinský Lucia Benkovičová Faculty of Architecture and Design Slovak University of Technology in BratislavaBratislavaSlovakia

Sustainability,beauty,and power are notions that hit our contemporary perception every ***,they have been an integral part of architecture and urban planning in various forms since the *** paper presents their fundamental descriptions,followed by an assessment of their mutual relations and impact on architecture through a triangular architectural relation model developed by the authors of the *** the theoretical thought experiment,it highlights eight boundary models along with their main characteristics,in particular,the implosion,explosion,shared-control,utilitarian,no-control,supremacy,inside-forced,and outside-forced architectural related *** models can help predict future events,explain past events,make decisions,and plan strategies,or reveal problems and propose new *** applications include determination of the causes of certain results or finding out the responsibility and mechanisms that led to *** authors are of the opinion that the mutual denominator of sustainability,beauty,and power represents ethics that should be forced in architectural education and practice.

关键词： Triangular architectural relation model Sustainability Beauty Power Thought experiment Interpretation

Sex differences in the risk of retinopathy of prematurity:a systematic review,frequentist and Bayesian meta‑analysis,and meta‑regression

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World Journal of Pediatrics 2024年第4期20卷 340-352页

作者： Tamara M.Hundscheid Silvia Gulden Mohamad F.Almutairi František Bartoš Giacomo Cavallaro Eduardo Villamor Division of Neonatology Department of PediatricsMosaKids Children’s HospitalMaastricht University Medical Center(MUMC+)School for Oncology and Reproduction(GROW)Maastricht UniversityP.Debyelaan 25.P.O.Box 58006202 AZ MaastrichtThe Netherlands Neonatal Intensive Care Unit Sant’Anna HospitalComoItaly Department of Psychology University of Amsterdam1001 NK AmsterdamThe Netherlands Neonatal Intensive Care Unit Fondazione IRCCS Ca’Granda Ospedale Maggiore PoliclinicoMilanItaly

Background Retinopathy of prematurity(ROP)is generally considered to be more frequent in males than in ***,it is not known whether sex differences in ROP affect all degrees of the condition,are global and have changed as neonatology has *** aimed to conduct a systematic review and meta-analysis of studies addressing sex differences in the risk of developing *** PubMed/MEDLINE and Embase databases were *** frequentist,random-effects risk ratio(RR)and 95%confidence interval(CI)were *** model averaged(BMA)meta-analysis was used to calculate the Bayes factors(BFs).The BF10 is the ratio of the probability of the data under the alternative hypothesis(H1)over the probability of the data under the null hypothesis(H0).Results We included 205 studies(867,252 infants).Frequentist meta-analysis showed a positive association between male sex and severe ROP(113 studies,RR=1.14,95%CI=1.07–1.22)but no association with any ROP(144 studies,RR=1.00,95%CI=0.96–1.03).BMA showed extreme evidence in favor of H1 for severe ROP(BF10=71,174)and strong evidence in favor of H0 for any ROP(BF10=0.05).The association between male sex and severe ROP remained stable over time and was present only in cohorts from countries with a high or high-middle sociodemographic *** Our study confirms the presence of a male disadvantage in severe ROP but not in less severe forms of the *** are variations in the sex differences in ROP,depending on geographical location and sociodemographic level of the countries.

关键词： Oxidative stress Retinopathy of prematurity Sex characteristics

Ballistic design and testing of a composite armour reinforced by CNTs suitable for armoured vehicles

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Defence Technology（防务技术） 2024年第2期32卷 173-195页

作者： Evangelos ch.Tsirogiannis Evangelos Daskalakis Mohamed H.Hassan Abdalla M.Omar Paulo Bartolo EODH SA Research and Development DepartmentLakkoma Chalkidikis63080Greece School of Mechanical Aerospace and Civil EngineeringUniversity of ManchesterManchesterM139PLUK Singapore Centre for 3D Printing School of Mechanical and Aerospace EngineeringNanyang Technological University639798Singapore

This paper is investigating the use of composite armour reinforced by nanomaterials, for the protection of light armoured(LAV) and medium armoured military vehicles(MAV), and the interaction between the composite materials and high-performance ballistic projectiles. Four armour materials, consisted of front hybrid fibre reinforced polymer cover layer, ceramic strike-face, fibre reinforced polymer intermediate layer and the metal matrix composite reinforced backplate, were manufactured and assembled by adhesive technology. The proposed laminated protection system is suitable for armoured ground vehicles;however, it could be used as armour on ground, air and naval platforms. The design of the protection system, including material selection and thickness, was elaborated depending on the performance requirements of Level 4 + STANAG 4569 military standard(projectile 14.5 mm × 114 mm API B32) and especially on a design philosophy which is analysed with the specifications. The backplate of this new composite is a hybrid material of Metal Matrix Composite(MMC) reinforced with carbon nanotubes(CNTs), manufactured with the use of powder metallurgy technique. The composite backplate material was morphologically, mechanically and chemically analysed. Results show that all plates are presenting high mechanical properties and ballistic characteristics, compared to commonly used armour plates. Real military ballistic tests according to AEP-STANAG 4569 were carried out for the total composite armour systems. After the ballistic tests, AA2024-CNT3 showed the best protection results, compared with the other plates(AA2024-CNT1 and AA2024-CNT2), with the projectile being unable to fully penetrate the composite plate.

关键词： Passive armour protection Protective armour Ballistic performance Hybrid composites Vehicle protection