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Journal of Energy Chemistry 2021年第7期30卷 256-263页

作者： Zhipeng Yu Junyuan Xu isilda amorim Yue Li Lifeng Liu International Iberian Nanotechnology Laboratory(INL) Av Mestre Jose Veiga4715-330 BragaPortugal Laboratory of Catalysis and Materials(LSRE-LCM) Faculdade de EngenhariaUniversidade do PortoRua Dr.Roberto Frias4200-465 PortoPortugal Department of Chemistry University of MinhoGualtar Campus4715-057 BragaPortugal

The small organic molecule electro-oxidation(OMEO) and the hydrogen evolution(HER) are two important half-reactions in direct liquid fuel cells(DLFCs) and water electrolyzers,respectively,whose performance is largely hindered by the low activity and poor stability of ***,we demonstrate that a simple phosphorization treatment of commercially available palladium-nickel(PdNi) catalysts results in multifunctional ternary palladium nickel phosphide(PdNiP) catalysts,which exhibit substantially enhanced electrocatalytic activity and stability for HER and OMEO of a number of molecules including formic acid,methanol,ethanol,and ethylene glycol,in acidic and/or alkaline *** improved performance results from the modification of electronic structure of palladium and nickel by the introduced phosphorus and the enhanced corrosion resistance of *** simple phosphorization approach reported here allows for mass production of highly-active OMEO and HER electrocatalysts,holding substantial promise for their large-scale application in direct liquid fuel cells and water electrolyzers.

关键词： PdNiP Multifunctional catalyst Phosphorization Small molecule electro-oxidation Hydrogen evolution

Conformal and continuous deposition of bifunctional cobalt phosphide layers on p-silicon nanowire arrays for improved solar hydrogen evolution

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Nano Research 2018年第9期11卷 4823-4835页

作者： Sitaramanjaneva Mouli Thalluri Jerome Borme Kang Yu Junyuan Xu isilda amorim Joao Gaspar Liang Qiao Paulo Ferreira Pedro Alpuim Lifeng Liu International Iberian Nanotechnology Laboratory (INL) Av. Mestre. Jose Veiga Braga 4715-330 Portugal Materials Science and Engineering Program University of Texas at Austin Austin TX78712 USA Deportment of Chemistry State Key Laboratory of Molecular Engineering of Polymers and Institute of Biomedical Sciences Fudon University Shanghai 200433 China Mechanical Engineering Department and IDMEC Instituto Superior Tdcnico University of Lisbon Av. Rovisco Pais Lisboa 1049-007 Portugal Center of Physics University of Minho Braga 4710-057 Portugal

Vertically aligned p-silicon nanowire （SiNW） arrays have been extensively investigated in recent years as promising photocathodes for solar-driven hydrogen evolution. However, the fabrication of SiNW photocathodes with both high photoelectrocatalytic activity and long-term operational stability using a simple and affordable approach is a challenging task. Herein, we report conformal and continuous deposition of a di-cobalt phosphide （C02P） layer on lithography- patterned highly ordered SiNW arrays via a cost-effective drop-casting method followed by a low-temperature phosphorization treatment. The as-deposited C02P layer consists of crystalline nanoparticles and has an intimate contact with SiNWs, forming a well-defined SiNW@Co2P core/shell nanostructure. The conformal and continuous Co2P layer functions as a highly efficient catalyst capable of substantially improving the photoelectrocatalytic activity for the hydrogen evolution reaction （HER） and effectively passivates the SiNWs to protect them from photo-oxidation, thus prolonging the lifetime of the electrode. As a consequence, the SiNW@Co2P photocathode with an optimized C02P layer thickness exhibits a high photocurrent density of -21.9 mA·cm^-2 at 0 V versus reversible hydrogen electrode and excellent operational stability up to 20 h for solar-driven hydrogen evolution, outperforming many nanostructured silicon photocathodes reported in the literature. The combination of passivation and catalytic functions in a single continuous layer represents a promising strategy for designing high-performance semiconductor photoelectrodes for use in solar-driven water splitting, which may simplify fabrication procedures and potentially reduce production costs.

关键词： solar-driven hydrogenevolution silicon nanowire cobalt phosphide photoelectrochemical water splitting drop-casting

Stable overall water splitting in an asymmetric acid/ alkaline electrolyzer comprising a bipolar membrane sandwiched by bifunctional cobalt-nickel phosphide nanowire electrodes

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Carbon Energy 2020年第4期2卷 646-655页

作者： Junyuan Xu isilda amorim Yue Li Junjie Li Zhipeng Yu Bingsen Zhang Ana Araujo Nan Zhang Lifeng Liu International Iberian Nanotechnology Laboratory(INL) BragaPortugal Department of Chemistry Centre of ChemistryUniversity of MinhoBragaPortugal Laboratory of Catalysis and Materials(LSRE-LCM) Faculdade de EngenhariaUniversidade do PortoPortoPortugal Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyangLiaoningChina

Water splitting has been proposed to be a promising approach to producing clean hydrogen *** two half-reactions of water splitting,that is,the hydrogen evolution reaction(HER)and oxygen evolution reaction(OER),take place kinetically fast in solutions with completely different pH *** HER and OER to simultaneously occur under kinetically favorable conditions while using exclusively low-cost,earth-abundant electrocatalysts is highly desirable but remains a ***,we demonstrate that using a bipolar membrane(BPM)we can accomplish HER in a strongly acidic solution and OER in a strongly basic solution,with bifunctional self-supported cobaltnickel phosphide nanowire electrodes to catalyze both *** asymmetric acid/alkaline water electrolysis can be achieved at 1.567 V to deliver a current density of 10 mA/cm2 with ca.100%Faradaic ***,using an“irregular”BPM with unintentional crossover the voltage needed to afford 10 mA/cm2 can be reduced to 0.847 V,due to the assistance of electrochemical neutralization between acid and ***,we show that BPM-based asymmetric water electrolysis can be accomplished in a circulated single-cell electrolyzer delivering 10 mA/cm2 at 1.550 V and splitting water very stably for at least 25 hours,and that water electrolysis is enabled by a solar panel operating at 0.908 V(@13 mA/cm2),using an“irregular”*** asymmetric water electrolysis is a promising alternative to conventional proton and anion exchange membrane water electrolysis.

关键词： bipolar membrane cobalt nickel phosphide hydrogen production noble metalfree water splitting

Ungraded Matrix Factorizations as Mirrors of Non-orientable Lagrangians

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Acta Mathematica Sinica,English Series 2024年第1期40卷 26-42页

作者： Lino amorim Cheol-Hyun CHO Department of Mathematics Kansas State University138 Cardwell Hall1228 N.17th StreetManhattanKS 66506USA Department of Mathematical Sciences Research Institute of MathematicsSeoul National UniversitySan 56-1ShinrimdongGwanakguSeoul 47907South Korea

We introduce the notion of ungraded matrix factorization as a mirror of non-orientable Lagrangian *** ungraded matrix factorization of a polynomial W,with coefficients in a field of characteristic 2,is a square matrix Q of polynomial entries satisfying Q^(2)=W·*** then show that non-orientable Lagrangians correspond to ungraded matrix factorizations under the localized mirror functor and illustrate this construction in a few *** main example is the Lagrangian submanifold RP^(2)⊂CP^(2)and its mirror ungraded matrix factorization,which we construct and *** particular,we prove a version of Homological Mirror Symmetry in this setting.

关键词： Mirror symmetry non-orientable Lagrangian submanifold matrix factorization

Erratum to:Conformal and continuous deposition of bifunctional cobalt phosphide layers on p-silicon nanowire arrays for improved solar hydrogen evolution

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Nano Research 2020年第6期13卷 1787-1787页

作者： Sitaramanjaneya Mouli Thalluri Jerome Borme Kang Yu Junyuan Xu isilda amorim Joao Gaspar Liang Qiao Paulo Ferreira Pedro Alpuim Lifeng Liu International Iberian Nanotechnology Laboratory(INL) Av.Mestre.Jose VeigaBraga4715-330Portugal Materials Science and Engineering Program University of Texas at AustinAustinTX78712USA Department of Chemistry State Key Laboratory of Molecular Engineering of Polymers and Institute of Biomedical SciencesFudan UniversityShanghai200433China Mechanical Engineering Department and IDMEC Instituto Superior TécnicoUniversity of LisbonAv.Rovisco PaisLisboa1049-001Portugal Center of Physics University of MinhoBraga4710-057Portugal

The name of the first author was unfortunately misspelled

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Sarcopenia and Anemia Are Predictors of Poor Prognostic in Cervical Cancer Patients

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Open Journal of Obstetrics and Gynecology 2024年第5期14卷 693-704页

作者： Leandro Santos de Araujo Resende Francine Vilela de amorim Miguel Soares Conceição Rodrigo Menezes Jales Patrick Nunes Pereira Luis Otávio Sarian Glauco Baiocchi Sophie Derchain Agnaldo Lopes da Silva Filho Department of Gynecology and Obstetrics Botucatu Medical School S&#227o Paulo State University UNESP S&#227o Paulo Brazil Department of Health Sciences University of Sao Francisco S&#227o Paulo Brazil Department of Obstetrics and Gynecology School of Medical Science State University of Campinas (UNICAMP) Campinas Brazil Department of Gynecologic Oncology AC Camargo Cancer Center Sao Paulo Brazil Department of Gynecology and Obstetrics School of Medicine of the Federal University of Minas Gerais Belo Horizonte Brazil

Objective: Evaluate pretreatment sarcopenia and anemia as prognostic factors in women undergoing treatment for cervical cancer (CC) with concurrent chemoradiotherapy (CCRT). Methods: 151 women with CC were analysed in this cohort study. Pretreatment computed tomography (CT) images were analysed to assess skeletal muscle index (SMI). Hazard ratios (HR) and multivariate Cox proportional HR were used to analyse association between low SMI, age, body mass index (BMI), haemoglobin levels, histological type, and International Federation of Gynaecology and Obstetrics (FIGO) stage with PFS and OS. Results: A total of 151 patients were included, 53 (35.1%) presented pretreatment sarcopenia;51 (34%) stage I/II and 100 (66%) stage III/IV. Among those patients in advanced stage (III/IV) 37 (70%) (p = 0.28) were sarcopenic at the beginning of treatment. Sarcopenia was associated with worse progression-free survival (PFS) and overall survival (OS) in our cohort [HR 0.97 (p = 0.01)] [HR 0.73 (p = 0.001)], as well as anemia [HR 0.73 (p = 0.001)] [HR 0.78 (p = 0.001)]. Linear regression models indicated that despite showing no association with age, neutrophil or platelet counts, sarcopenia was associated with pretreatment anemia levels (p = 0.01). After a multivariate analysis, only haemoglobin (anemia) and complete CCRT remained associated with PFS and OS. Sarcopenia and anemia were associated with worse PFS and OS in FIGO stage I/II. Conclusion: Pretreatment sarcopenia was significantly associated with low haemoglobin levels. Anemia and incomplete CCRT were independently associated with poor prognosis in women with CC. Pretreatment sarcopenia, as low SMI, was a predictor of poor prognostic in early stages of CC.

关键词： Cervical Cancer Sarcopenia Anemia Chemoradiotherapy

In Silico and in Vitro Analysis of Pyrazolone Derivatives against Zika Virus and Identification of Potential NS5 Methyltransferase Inhibitors by Molecular Docking

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Journal of Biosciences and Medicines 2024年第7期12卷 214-229页

作者： Luciene Soares Silva Tiago Soares Barbosa Maria Leonisa Sanchez-Nuñez Aldenise Mont Serrat Rosa da Silva Vitor Won-Held Rabelo Leonardo dos Santos Corrêa amorim Leonardo Alves Miceli Percilene Fazolin Vegi Alice Bernardino Helena Carla Castro Izabel Christina Nunes de Palmer Paixão Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niteri Brazil Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Antibiotics Biochemistry Teaching and Molecular Modeling Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Organic Chemistry at the Institute of Chemistry Institute of Biology Fluminense Federal University Niterói Brazil

Zika virus (ZIKV), a mosquito-borne flavivirus, has been associated with benign infections for decades. However, it has become a public health concern due to its association with severe fetal and neurological complications. Although many efforts have been made to control ZIKV infection, approved vaccines or antiviral drugs are still lacking. Consequently, the development of new effective anti-ZIKV agents is urgently needed. In this context, we investigated the antiviral potential of pyrazolone derivatives against ZIKV replication using in silico and in vitro methods. The four pyrazolone derivatives evaluated (1a, 1b, 1c, and 1d) inhibited over 50% of ZIKV replication with low cytotoxicity. Among them, compound 1b exhibited the most potent activity (EC50 = 4.3 μM) and the highest selectivity (SI = 342). Mechanism of action studies indicated that these compounds act at early stages of virus replication, and compound 1b can also directly inactivate ZIKV particles. Molecular docking studies suggested that these compounds can bind to and block the activity of ZIKV NS5 methyltransferase. Finally, pharmacokinetic and toxicological predictions have reinforced the safety and drug-like profiles of these derivatives. In conclusion, the pyrazolone scaffold proved to be valuable for anti-ZIKV drug development, and the derivatives studied deserve further investigation.

关键词： Zika Pyrazolone NS5 Methyltransferase Antivirals

Integration of machine learning with phase field method to model the electromigration induced Cu_(6)Sn_(5) IMC growth at anode side Cu/Sn interface

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Journal of Materials Science & Technology 2020年第24期59卷 203-219页

作者： Anil Kunwar Yuri amorim Coutinho Johan Hektor Haitao Ma Nele Moelans Department of Materials Engineering KU LeuvenKasteelpark Arenberg 44LeuvenB-3001Belgium LUNARC-Centre for Scientific and Technical Computing at Lund University Lund UniversityP.O.Box 118SE-22100LundSweden Deutsches Elektronen-Synchrotron(DESY) Notkestrasse 85Hamburg22607Germany School of Materials Science and Engineering Dalian University of TechnologyDalian116024China

Currently,in the era of big data and 5G communication technology,electromigration has become a serious reliability issue for the miniaturized solder joints used in microelectronic *** the effective charge number(Z*)is considered as the driving force for electromigration,the lack of accurate experimental values for Z* poses severe challenges for the simulation-aided design of electronic *** this work,a data-driven framework is developed to predict the Z* values of Cu and Sn species at the anode based LIQUID,Cu_(6)Sn_(5) intermetallic compound(IMC)and FCC phases for the binary Cu-Sn system undergoing electromigration at 523.15 *** growth rate constants(kem)of the anode IMC at several magnitudes of applied low current density(j=1×10^6 to 10×10^6A/m^2)are extracted from simulations based on a 1D multi-phase field model.A neural network employing Z* and j as input features,whereas utilizing these computed kemdata as the expected output is *** results of the neural network analysis are optimized with experimental growth rate constants to estimate the effective charge *** a negligible increase in temperature at low j values,effective charge numbers of all phases are found to increase with current density and the increase is much more pronounced for the IMC *** predicted values of effective charge numbers Z* are then utilized in a 2D simulation to observe the anode IMC grain growth and electrical resistance changes in the multi-phase *** the work consists of the aspects of experiments,theory,computation,and machine learning,it can be called the four paradigms approach for the study of electromigration in Pb-free *** a combination of multiple paradigms of materials design can be problem-solving for any future research scenario that is marked by uncertainties regarding the determination of material properties.

关键词： Phase field method Artificial neural network Intemetallic compound Current density Synchrotron radiation

Single-molecule DNA sequencing using two-dimensionalTi2C(OH)2 MXene nanopores: A first-principles investigation

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Nano Research 2022年第11期15卷 9843-9849页

作者： Jariyanee Prasongkit Sirichok Jungthawan Rodrigo G.amorim Ralph H.Scheicher Division of Physics Faculty of ScienceNakhon Phanom UniversityNakhon Phanom 48000Thailand School of Physics Institute of ScienceSuranaree University of Technology111 University AveNakhon Ratchasima 30000Thailand Center of Excellence in Advanced Functional Materials Suranaree University of TechnologyNakhon Ratchasima 30000Thailand Thailand Center of Excellence in Physics Ministry of Higher EducationScienceResearch and Innovation328 Si Ayutthaya RoadBangkok 10400Thailand Departamento de Física ICExUniversidade Federal Fluminense-UFFVolta Redonda/RJ 27213-145Brazil Division of Materials Theory Department of Physics and AstronomyUppsala UniversityUppsala SE-75120Sweden

Nanopore-based devices have provided exciting opportunities to develop affordable label-free DNA sequencing *** a decade ago,graphene has been proposed as a two-dimensional(2D)nanopore membrane in order to achieve single-base ***,it was experimentally revealed that clogging of the graphene nanopore can occur due to the hydrophobic nature of graphene,thus hindering the translocation of *** overcome this problem,the exploration of alternative 2D materials has gained considerable interest over the last *** we show that a Ti_(2)C-based MXene nanopore functionalized by hydroxyl groups(–OH)exhibits transverse conductance properties that allow for the distinction between all four naturally occurring DNA *** have used a combination of density functional theory and non-equilibrium Green’s function method to sample over multiple orientations of the nucleotides in the nanopore,as generated from molecular dynamics *** conductance variation resulting from sweeping an applied gate voltage demonstrates that the Ti_(2)C-based MXene nanopore possesses high potential to rapidly and reliably sequence *** findings open the door to further theoretical and experimental explorations of MXene nanopores as a promising 2D material for nanopore-based DNA sensing.

关键词： nanopore DNA sequencing MXenes first-principles quantum transport

Combining thermodynamics with tensor completion techniques to enable multicomponent microstructure prediction

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npj Computational Materials 2020年第1期6卷 1643-1653页

作者： Yuri amorim Coutinho Nico Vervliet Lieven De Lathauwer Nele Moelans Department of Materials Engineering(MTM) KU LeuvenB-3001 LeuvenBelgium Department of Electrical Engineering(ESAT) KU LeuvenB-3001 LeuvenBelgium Group Science Engineering and TechnologyKU Leuven KulakB-8500 KortrijkBelgium

Multicomponent alloys show intricate microstructure evolution,providing materials engineers with a nearly inexhaustible variety of solutions to enhance material *** microstructure evolution simulations are indispensable to exploit these *** simulations,however,require the handling of high-dimensional and prohibitively large data sets of thermodynamic quantities,of which the size grows exponentially with the number of elements in the alloy,making it virtually impossible to handle the effects of four or more *** this paper,we introduce the use of tensor completion for highdimensional data sets in materials science as a general and elegant solution to this *** show that we can obtain an accurate representation of the composition dependence of high-dimensional thermodynamic quantities,and that the decomposed tensor representation can be evaluated very efficiently in microstructure *** realization enables true multicomponent thermodynamic and microstructure modeling for alloy design.

关键词： microstructure alloy enable