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Design of efficient Pt-based electrocatalysts through characterization by X-ray absorption spectroscopy

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Frontiers in Energy 2017年第3期11卷 236-244页

作者： Nebojsa S. MArINKoVIC Kotaro SASAKI radoslav r. ADZIC Synchrotron Catalysis Consortium and Columbia University NY 10027 USA Brookhaven National Laboratory Upton NY 11973 USA

A method is described to determine the internal structure of electrocatalyst nanoparticles by in situ X-ray absorption spectroscopy （XAS）. The nondestructive spec- troscopic technique typically utilizing synchrotron radiation as the source measures changes in the X-ray absorption coefficient as a function of energy. The bulk technique has found its use for materials characterization in all scientific areas, including nanomaterials. The analysis of the internal structure of nanoparticles reveals intera- tomic distances and coordination numbers for each element, and their values and mutual relations indicate whether the elements form a homogeneous or hetero- geneous mixture. The core-shell heterogeneous structure in which certain elements are predominantly located in the core, and others form the encapsulating shell is of particular importance in catalysis and electrocatalysis because it may reduce the amount of precious metals in nanoparticles by replacing the atoms in the core of nanoparticles with more abundant and cheaper alternatives. The examples of nanoparticle structures designed in the laboratory and the approach to model efficient catalysts through systematic analysis of XAS data in electrochemical systems consisting of two and three metals are also demonstrated.

关键词： X-ray absorption spectroscopy EXAFS XANES nanocatalysts core shell

A Kind of Lean Approach for removing Wastes From Non-Manufacturing Process With Various Facilities

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IEEE/CAA Journal of Automatica Sinica 2019年第1期6卷 307-315页

作者： Guangyu Xiong Xiuqin Shang Gang Xiong Timo r.Nyberg IEEE the Silk road Business School Sanya University the Department of Industrial Engineering and Management School of ScienceAalto University the State Key Laboratory for Management and Controlof Complex Systems Institute of AutomationChinese Academy of Sciences(CAS) Qingdao Academy of Intelligent Industries the Cloud Computing Center CAS the Beijing Engineering research Center of Intelligent Systems and Technology Institute of AutomationCAS the School of Science at Aalto University

It is important to identify and remove the wastes not only from manufacturing process, but also from nonmanufacturing process. In the last several decades, significant research achievements and practice benefits have been achieved about removing wastes from manufacturing process. Since the1990 s, some researchers and lean practitioners have paid more attention to removing waste from non-manufacturing *** on the authors' research work and industrial practice, the paper introduces a kind of lean approach for removing waste from non-manufacturing process. In its case study, the order handling process in a value chain is described with respect to a factory and its downstream distribution centers(DCs). The paper proposes a lean approach solution for creating the improved order handling process, and analyze how great improvements in performance can be achieved. As a result, the significant achievement has created a win-win scenario for both the nonmanufacturing process in a factory and non-manufacturing facilities(like DCs) across the value chain. It demonstrates that improvements have been made by removing waste from the non-manufacturing process that takes place within a factory as well as with external participants through the whole value chain. Likewise, the proposed lean approach has helped the case companies to achieve greater levels of efficiency and more benefits. Finally, some conclusions are drawn.

关键词： Lean approach non-manufacturing process optimized order handling process removing wastes value chain win-win scenario

Diffusion Monte Carlo calculations on LaB molecule

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Chinese Physics B 2018年第9期27卷 241-246页

作者： Nagat Elkahwagy Atif Ismail S M A Maizet K r Mahmoud Department of Physics Faculty of Science Kafrelsheikh University Kafr El-Sheikh Egypt Department of Physics Faculty of Applied Sciences Umm AI Qura University Makkah Saudi Arabia Department of Physics Faculty of Science Menoufia University Shebin EI-Kom Egypt

Potential energy curves for the lowest electronic states of LaB and LaB- have been calculated by ab initio *** diffusion Monte Carlo method has been employed in combination with three different trial functions. Spectroscopic constants have also been numerically derived for the neutral molecule and compared with the only available theoretical work;^（[19]） however, predictions are provided for the corresponding constants for the anionic species which have not been reported yet. our calculations suggest the high spin quintet state of LaB as the ground state with the triplet state higher in energy irrespective of the type of the functional used. This suggestion is in good accordance with the previous theoretical results calculated at B3LYP/LANL2DZ level of theory, whereas it contradicts with the prediction based upon B3LYP/SDD calculations in the same study. Moreover, variations of the permanent dipole moments as a function of the internuclear separations for the two electronic states of the neutral molecule have been studied and analyzed.

关键词： potential energy curve lanthanum boride diffusion Monte Carlo dipole moment

Speaker and Hearer in Neo-Gricean Pragmatics

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外国语 2006年第4期29卷 2-26页

作者： Laurence r.Horn Yale University

现代词汇语用学研究可追溯到JimMcCawley1978年发表的“会话含义与词汇”一文。该文深入探讨了格莱斯含意推导机制对于词项结构和用法的制约作用及其具体方式。然而早在一个世纪之前,HermannPaul(1880)通过对一系列结构的分析指出,这些... 详细信息

现代词汇语用学研究可追溯到JimMcCawley1978年发表的“会话含义与词汇”一文。该文深入探讨了格莱斯含意推导机制对于词项结构和用法的制约作用及其具体方式。然而早在一个世纪之前,HermannPaul(1880)通过对一系列结构的分析指出,这些结构的形式和分布特点反映了两种操控会话的功能原则的阴阳互动,一种是(以言者需求为基础的)精减表达的倾向——后来成为Zipf最少努力原则的语言表达体现,而另一种则是(以听者需求为基础的)提供足够信息的交际需求。这种功能原则的辩证对立后来发展成为Zipf和Martinet的言者经济和听者经济的阴阳对立,以及Grice合作原则下数量准则的两个次准则(使言语表达尽可能提供所要求的信息/不要提供超出需求之外的信息)的对立互动。而从两个次准则又衍生了荷恩(1984)的数量原则和关联原则(基本上等于“说的足够多”/“不要说太多”)的对立互动,以及关联理论中努力和效果间的阴阳互动(Sperber&Wilson1986;Carston2002)。Paul和Grice所主张的语用原则间的阴阳互动渗透到整个语言系统中的各个层次,比如在功能语音学中,发声“懒惰”和听觉清晰两方面的动态平衡就突出表现了这种阴阳互动关系,而该文所要重点探讨的就是这种阴阳互动对心理词汇所形成的影响。自从McCawley的开创性论文发表以来,词汇化在很大程度上受到语用原则的导引这一点已逐渐成为明显的事实,如ElizabethTraugott等人的研究就说明了新格莱斯推导机制在语义变化中的作用。除了说明词汇化的语用限制(以数量原则为基础)以外,该文还探讨了言者经济原则(数量原则)和听者经济原则(关联原则)的阴阳互动在横组合缩减、词义扩展/缩小、委婉、加强否定,以及词汇复制结构及其跨语言的对应结构等语言现象中的体现。最后,在(以言者需求为基础的)“避免同义词”原则和(以听者需求为基础的)“避免同形异义词”原则的互补互动研究的基础上,作者提出,词汇语用学的共时、历时和习得研究为自然语言语义的新格莱斯二元图景提供了有力的支持。

关键词：语用负荷的分担新格莱斯语用学数量原则关联原则避免同义词避免同形异义词

A Novel Synthesis of Malic Acid Capped Silver Nanoparticles using Solanum lycopersicums Fruit Extract

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Journal of Materials Science & Technology 2013年第4期29卷 317-322页

作者： M.Umadevi M.r.Bindhu V.Sathe Department of Physics Mother Teresa Women's UniversityKodaikanal 624 102Tamil NaduIndia UGC-DAE Consortium for Scientific research University CampusKhandwa RoadIndore 452 017India

Integration of green chemistry principles to nanotechnology is one of the key issues in nanoscience research. The development of the concept of green nanoparticle preparation has been growingly needed for environmentally benign metal nanoparticle synthesis protocols to avoid adverse effects in medical applications. Keep this in mind, in the present study, silver nanoparticles were synthesized using Solanum lycopersicums fruit extract. The prepared silver nanoparticles were characterized by UV-visible spectroscopy, Fourier transform infrared spectroscopy, raman spectroscopy, scanning electron microscopy and transmission electron microscopy techniques. The surface plasmon resonance peak was found at 445 nm. The synthesized silver nanoparticles were spherical in shape with the average size of 10 nm. The citric acid present in S. lycopersicums fruit extract acted as reducing agent and malic acid was responsible for capping of the bioreduced silver nanoparticles.

关键词： Silver nanoparticles Solanum lycopersicums UV--visible spectroscopy Fourier transform infrared spectroscopy ramanspectroscopy

Development of a warning score for early detection of colorectal anastomotic leakage:Hype or hope?

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World Journal of Gastrointestinal Surgery 2022年第11期14卷 1297-1309页

作者： Nuno J G rama Óscar Lourenço Patrícia C Motta Lima Maria Pedro S Guarino Diana Parente ricardo Castro Ana Bento Anabela rocha Fernando Castro-Poças João Pimentel Division of Colorectal Surgical Leiria Hospital CentreLeiria 2410-021Portugal Abel Salazar Biomedical Institute University of OportoOporto 4099-002Portugal Center for Innovative Care and Health Technology(ciTechCare) Polytechnic of LeiriaLeiria 2410-541Portugal Faculty of Economics CeBERUniversity of CoimbraCoimbra 3000-137Portugal Division of Clinical Pathology Leiria Hospital CentreLeiria 2410-541Portugal Division of Surgical Oporto Hospital CentreOporto 4099-001Portugal Department of Gastroenterology Santo António HospitalPorto Hospital CenterOporto 4099-001Portugal Institute of Biomedical Sciences Abel Salazar University of OPortoOporto 4099-001Portugal Faculty of Medicine University of CoimbraCoimbra 3004-531Portugal Division of Surgical Montes Claros HospitalCoimbra 3030-320Portugal

BACKGroUND Colorectal anastomotic leakage(CAL),a severe postoperative complication,is associated with high morbidity,hospital readmission,and overall healthcare *** detection of CAL remains a challenge in clinical ***,some decision models have been developed to increase the diagnostic accuracy of this *** To develop a score based on easily accessible variables to detect CAL *** Based on the least absolute shrinkage and selection operator method,a predictive classification system was developed[Early ColorectAL Leakage(E-CrALL)score]from a prospective observational,single center cohort,carried out in a colorectal division from a non-academic *** score performance and CAL threshold from postoperative day(PoD)3 to PoD5 were *** on a precise analytical decision model,the standard clinical practice was compared with the E-CrALL adoption on PoD3,PoD4,or PoD5.A cost-minimization analysis was conducted,on the assumption that all alternatives delivered similar health-related *** In this study,396 patients who underwent colorectal resection surgery with anastomosis,and 6.3%(n=25)developed *** of the patients who developed CAL(n=23;92%)were diagnosed during the first hospital admission,with a median time of diagnosis of 9.0±6.8 *** PoD3 to PoD5,the area under the receiver operating characteristic curve of the E-CrALL score was 0.82,0.84,and 0.95,*** PoD5,if a threshold of 8.29 was chosen,87.4%of anastomotic failures were identified with E-CrALL ***,score usage could anticipate CAL diagnosis in an average of 5.2 d and 4.1 d,if used on PoD3 and PoD5,*** of score adoption,episode comprehensive costs were markedly greater(up to four times)in patients who developed CAL in comparison with patients who did not develop ***,the use of the E-CrALL warning score was associated with cost savings of€421442.20,with most(92.9%)of the savings from patients

关键词： Anastomotic leakage Colorectal Surgery Biomarkers Score Costs

Metachronal propulsion of non-Newtonian viscoelastic mucus in an axisymmetric tube with ciliated walls

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Communications in Theoretical Physics 2021年第3期73卷 43-54页

作者： S Shaheen K Maqbool r Ellahi Sadiq M Sait Department of Mathematics and Statistics International Islamic UniversityIslamabadPakistan Fulbright Fellow Department of Mechanical EngineeringUniversity of California RiversideCAUnited States of America Center for Communications and IT research Research InstituteKing Fahd University of Petroleum&MineralsDhahran-31261Saudi Arabia

Cilia-induced flow of viscoelastic mucus through an idealized two-dimensional model of the human trachea is *** cilia motion is simulated by a metachronal wave pattern which enables the mobilization of highly viscous mucus even at nonzero reynolds *** viscoelastic mucus is analyzed with the upper convected Maxwell viscoelastic formulation which features a relaxation time and accurately captures normal stress generation in shear *** governing equations are transformed from fixed to wave(laboratory)frame with appropriate variables and resulting differential equations are perturbed about wave *** trachea is treated as an axisymmetric ciliated *** and axial distributions in axial velocity are calculated via the regular perturbation method and pressure rise is computed with numerical integration using symbolic software MATHEMATICA^(‘TM’).The influence of selected parameters which is cilia length,and Maxwell viscoelastic material parameter *** time for prescribed values of wave number are visualized *** rise is observed to increase considerably with elevation in both cilia length and relaxation time whereas the axial velocity is markedly *** simulations provide some insight into viscous-dominated cilia propulsion of rheological mucus and also serve as a benchmark for more advanced modeling.

关键词： viscoelastic mucus ciliated surface trachea inertial flow axisymmetric tube rheology flow

CDC7 inhibition impairs neuroendocrine transformation in lung and prostate tumors through MYC degradation

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Signal Transduction and Targeted Therapy 2024年第8期9卷 3519-3532页

作者： Alvaro Quintanal-Villalonga Kenta Kawasaki Esther redin Fathema Uddin Swanand rakhade Vidushi Durani Amin Sabet Moniquetta Shafer Wouter r.Karthaus Samir Zaidi Yingqian A.Zhan Parvathy Manoj Harsha Sridhar Dennis Kinyua Hong Zhong Barbara P.Mello Metamia Ciampricotti Umesh K.Bhanot Irina Linkov Juan Qiu radhika A.Patel Colm Morrsey Sanjoy Mehta Jesse Barnes Michael C.Haffner Nichlas D.Socci richard P.Koche Elisa de Stanchina Sonia Molina-Pinelo Sohrab Salehi Helena A.Yu Joseph M.Chan Charles M.rudin Department of Medicine Thoracic Oncology ServiceMemorial Sloan Kettering Cancer CenterNew YorkNYUSA Cancer Biology and Genetics Program Sloan Kettering InstituteMemorial Sloan Kettering Cancer CenterNew YorkNYUSA Vagelos College of Physicians and Surgeons Columbia UniversityNew YorkNYUSA Weill Cornell Graduate School of Medical Sciences Weill Cornell MedicineNew YorkNYUA Human oncology and Pathogenesis Program Memorial Sloan Kettering Cancer CenterNew YorkNYUSA Center for Epigenetics research Memorial Sloan Kettering Cancer CenterNew YorkNYUSA Pathology Core Facilty Department of Pathology and Laboratory MedicineMSKCCNew YorkNYUSA Antitumor Assessment Core Memorial Sloan Kettering Cancer CenterNew YorkNYUSA Divisionsof Human Biology and Clinical research Fred Hutchinon Cancer CenterSeattleWAUSA Deparmentof Urology University of WashingtonSeattleWAUSA Gene Editing&Screening Core Facility Memorial Sloan Kettering Cancer Center New YorkNYUSA Department of Laboratory Medicine and Pathology University of WashingtonSeattleWAUSA Bioinfomatics CoreFacility Memorial Soan Kettering Cancer CenterNew YorkNYUSA Institute of Biomedicine of Seille(Bis) HURCSCUniversidad de SevillaSevilleSpain Computational oncology Department of Epidemiology and BiostatisticsMemorial Sloan Kettering Cancer CenterNew YorkNYUSA Well Cornell Medical College New York NYUSA Present address:Swiss Institute for Experimental Cancer research(ISrEC) School of Life SciencesEPFLLausanneSwitzerland

Neuroendocrine(NE)transformation is a mechanism of resistance to targeted therapy in lung and prostate adenocarcinomas leading to poor *** to date,even if patients at high risk of transformation can be identified by the occurrence of Tumor Protein P53(TP53)and retinoblastoma Transcriptional Corepressor 1(rB1)mutations in their tumors,no therapeutic strategies are available to prevent or delay histological *** of the cell cycle kinase Cell Division Cycle 7(CDC7)occurred in tumors during the initial steps of NE transformation,already after TP53/rB1 co-inactivation,leading to induced sensitivity to the CDC7 inhibitor ***7 inhibition suppressed NE transdifferentiation and extended response to targeted therapy in in vivo models of NE transformation by inducing the proteasome-mediated degradation of the MYC Proto-oncogen(MYC),implicated in stemness and histological *** overexpression of a degradation-resistant MYC isoform reestablished the NE transformation phenotype observed on targeted therapy,even in the presence of ***7 inhibition also markedly extended response to standard cytotoxics(cisplatin,irinotecan)in lung and prostate small cell carcinoma *** results nominate CDC7 inhibition as a therapeutic strategy to constrain lineage plasticity,as well as to effectively treat NE tumors de novo or after *** simurosertib clinical efficacy trials are ongoing,this concept could be readily translated for patients at risk oftransformation.

关键词： tumors markedly transformation

Band structure,Fermi surface,elastic,thermodynamic,and optical properties of AlZr3,AlCu3,and AlCu2Zr:First-principles study

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Chinese Physics B 2016年第8期25卷 103-112页

作者： Parvin r Parvin F Ali M S Islam A K M A Department of Physics Rajshahi University Rajshahi-6205 Bangladesh Department of Physics Pabna University of Science and Technology Pabna 6600 Bangladesh International Islamic University Chittagong 154/A College Road Chittagong-4203 Bangladesh

The electronic properties（Fermi surface,band structure,and density of states（DoS）） of Al-based alloys AlM3（M=Zr and Cu） and AlCu2Zr are investigated using the first-principles pseudopotential plane wave method within the generalized gradient approximation（GGA）.The structural parameters and elastic constants are evaluated and compared with other available ***,the pressure dependences of mechanical properties of the compounds are *** temperature dependence of adiabatic bulk modulus,Debye temperature,specific heat,thermal expansion coefficient,entropy,and internal energy are all obtained for the first time through quasi-harmonic Debye model with phononic effects for T = 0 K-100 *** parameters of optical properties（dielectric functions,refractive index,extinction coefficient,absorption spectrum,conductivity,energy-loss spectrum,and reflectivity） of the compounds are calculated and discussed for the first *** reflectivities of the materials are quite high in the Ir-visible-UV region up to ~ 15 eV,showing that they promise to be good coating materials to avoid solar *** of the properties are also compared with those of the Al-based Ni3 Al compound.

关键词： first principle calculations Fermi surface elastic moduli entropy and internal energy optical properties