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Rational Design of Artificial Metalloproteins and Metalloenzymes with Metal Clusters

Ying‐Wu Lin2019-07-29Molecules

Metalloproteins and metalloenzymes play important roles in biological systems by using the limited metal ions, complexes, and clusters that are associated with the protein matrix. The design of artificial metalloproteins and metalloenzymes not only reveals the structure and function relationship of natural proteins, b…

Advanced biosensing and bioanalysis techniquesAdvanced Nanomaterials in CatalysisPeptidase Inhibition and Analysis

Chemisorption of NO2 on V-Based SCR Catalysts: A Fundamental Study toward the Mechanism of “Fast SCR” Reaction

Xiangmin Wang、Xuesen Du、Guangpeng Yang 等 6 位作者2019-07-29The Journal of Physical Chemistry C

The “fast selective catalytic reduction (SCR)” process, with its superior efficiency, is promising for removing NO x from flue gas with low temperature and high gas velocity. Chemisorption of NO 2 is a crucial step in this heterogeneous catalysis process. In this study, density functional theory calculations and exper…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsIndustrial Gas Emission Control

High-Aspect-Ratio Semiconducting Polymer Pillars for 3D Cell Cultures

Gabriele Tullii、Federica Giona、Francesco Lodola 等 13 位作者2019-07-29ACS Applied Materials & Interfaces

Hybrid interfaces between living cells and nano/microstructured scaffolds have huge application potential in biotechnology, spanning from regenerative medicine and stem cell therapies to localized drug delivery and from biosensing and tissue engineering to neural computing. However, 3D architectures based on semicondu…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsNeuroscience and Neural Engineering

Investigation of unintentional Fe incorporation in (010) β-Ga2O3 films grown by plasma-assisted molecular beam epitaxy

Akhil Mauze、Yuewei Zhang、Tom Mates 等 5 位作者2019-07-29Applied Physics Letters

Transition metals, such as Fe, are commonly used in either layers or substrates to serve as deep intentional acceptors to realize semi-insulating substrates, regrowth interfaces, or buffer layers. The unintentional incorporation of the compensating acceptor in subsequent layers is a major concern in epitaxial growth.…

ZnO doping and propertiesGa2O3 and related materialsElectronic and Structural Properties of Oxides

Mesoscale Transformation of Amorphous Calcium Carbonate to Porous Vaterite Microparticles with Morphology Control

Rui Sun、Tom Willhammar、Erik Svensson Grape 等 5 位作者2019-07-29Crystal Growth & Design

The morphology controlled synthesis of porous vaterite microparticles from amorphous calcium carbonate (ACC) nanoparticles via mesoscale transformation and self-assembly is presented. The morphology of vaterite microparticles ranging from ellipsoidal to spherical can be controlled by adjusting the amount of adipic aci…

Bone Tissue Engineering MaterialsCalcium Carbonate Crystallization and InhibitionBuilding materials and conservation

Efficient band gap prediction of semiconductors and insulators from a semilocal exchange-correlation functional

Bikash Patra、Subrata Jana、Lucian A. Constantin 等 4 位作者2019-07-29Physical review. B./Physical review. B

A semilocal exchange-correlation functional is proposed with the efficient prediction of the solid-state band gap. The underlying construction of the exchange functional is based on the modeling of the exchange hole and constructing the exchange energy functional. Being a meta-generalized gradient approximation (meta-…

2D Materials and ApplicationsMultiferroics and related materialsHeusler alloys: electronic and magnetic properties

Recovery of proteins and lipids from dairy wastewater using food grade sodium lignosulphonate

Geethu Gopinatha Kurup、Benu Adhikari、Bogdan Zisu2019-07-29Water Resources and Industry

Dairy manufacturing sector generates large quantity of nutrient-rich wastewater which requires treatment before it can be released into the environment. This study aimed to use a low-cost food grade sodium lignosulphonate (Na-lignosulphonate) to recover proteins and lipids from dairy wastewater and reduce the BOD. The…

Proteins in Food SystemsAdvanced Cellulose Research StudiesCoagulation and Flocculation Studies

Gold Cluster Coverage Effect on H2 Production over Rutile TiO2(110)

Khabiboulakh Katsiev、George T. Harrison、Y. Al-Salik 等 5 位作者2019-07-29ACS Catalysis

Unlike catalytic reactions thermally driven by metal nanoparticles, reaction rates in photocatalysis do not scale with either the density of nanoparticles or their size. Because of the complexity of multicomponent photocatalysts in powder form, this lack of correlation, routinely observed for decades, is still not und…

Catalytic Processes in Materials ScienceCopper-based nanomaterials and applicationsNanomaterials for catalytic reactions

Nonlocal Buckling Analysis of Composite Curved Beams Reinforced with Functionally Graded Carbon Nanotubes

Behrouz Karami、Maziar Janghorban、Davood Shahsavari 等 5 位作者2019-07-29Molecules

This work deals with the size-dependent buckling response of functionally graded carbon nanotube-reinforced composite (FG-CNTRC) (FG-CNTRC) curved beams based on a higher-order shear deformation beam theory in conjunction with the Eringen Nonlocal Differential Model (ENDM). The material properties were estimated using…

Composite Structure Analysis and OptimizationNumerical methods in engineeringNonlocal and gradient elasticity in micro/nano structures

Insights into functional polymer-based organic-inorganic nanocomposites as leather finishes

Qianqian Fan、Jianzhong Ma、Qunna Xu2019-07-29Journal of Leather Science and Engineering

Abstract Nowadays, the increasing demands from consumer challenges the traditional leather products. Traditional polymer leather finishes gradually lose their dominant position in the market. To address this issue, recent research effort has been devoted to developing polymer-based organic-inorganic nanocomposite leat…

biodegradable polymer synthesis and propertiesPolymer composites and self-healingCollagen: Extraction and Characterization

Effect of External Electric Field on Methane Conversion on IrO2(110) Surface: A Density Functional Theory Study

Chen‐Hao Yeh、Thong Le Minh Pham、Santhanamoorthi Nachimuthu 等 4 位作者2019-07-29ACS Catalysis

Catalytic conversion of methane to value-added chemicals is a promising application for gas versatility. In this work, we have investigated the methane oxidation over oxygen-rich IrO 2 (110) surface by DFT calculations, as IrO 2 is reported to be an effective catalyst for activating the C–H bond of methane. Compared t…

Catalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions

Flax, Basalt, E-Glass FRP and Their Hybrid FRP Strengthened Wood Beams: An Experimental Study

Bo Wang、Erik Valentine Bachtiar、Libo Yan 等 5 位作者2019-07-29Polymers

In this study, the structural behavior of small-scale wood beams externally strengthened with various fiber strengthened polymer (FRP) composites (i.e., flax FRP (FFRP), basalt FRP (BFRP), E-glass FRP ("E" stands for electrical resistance, GFRP) and their hybrid FRP composites (HFRP) with different fiber configuration…

Structural Behavior of Reinforced ConcreteWood Treatment and PropertiesNatural Fiber Reinforced Composites

Kinetic Control of [AuCl4]− Photochemical Reduction and Gold Nanoparticle Size with Hydroxyl Radical Scavengers

Laysa M. Frias Batista、Victoria Kathryn Meader、Katherine Romero 等 7 位作者2019-07-29The Journal of Physical Chemistry B

Laser-induced photochemical reduction of aqueous [AuCl 4 ] − is a green synthesis approach requiring no chemical reducing agents or stabilizers; but size control over the resulting gold nanoparticles remains a challenge. Under optical breakdown conditions producing hydrated electrons (e aq – ) and hydroxyl radicals (O…

Gold and Silver Nanoparticles Synthesis and ApplicationsNanomaterials for catalytic reactionsPigment Synthesis and Properties

Multistimuli Responsive Nanocomposite Tectons for Pathway Dependent Self-Assembly and Acceleration of Covalent Bond Formation

Yuping Wang、Peter J. Santos、Joshua M. Kubiak 等 6 位作者2019-07-29Journal of the American Chemical Society

Nanocomposite tectons (NCTs) are a recently developed building block for polymer-nanoparticle composite synthesis, consisting of nanoparticle cores functionalized with dense monolayers of polymer chains that terminate in supramolecular recognition groups capable of linking NCTs into hierarchical structures. In princip…

Supramolecular Self-Assembly in MaterialsPhotochromic and Fluorescence ChemistryPolydiacetylene-based materials and applications

Orange peels: from by‐product to resource through lactic acid fermentation

Annalisa Ricci、Ana Belén Díaz、Ildefonso Caro 等 7 位作者2019-07-29Journal of the Science of Food and Agriculture

Abstract BACKGROUND Considering the large amounts of by‐products derived from orange processing, which are generally discarded, the present study aimed to explore the feasibility of using orange peel for lactic acid production in solid state fermentation. RESULTS Different species of lactic acid bacteria were employed…

Biofuel production and bioconversionEnzyme Catalysis and Immobilizationbiodegradable polymer synthesis and properties

Flexible Films for Smart Thermal Management: Influence of Structure Construction of a Two-Dimensional Graphene Network on Active Heat Dissipation Response Behavior

Siqi Cui、Fang Jiang、Na Song 等 5 位作者2019-07-29ACS Applied Materials & Interfaces

In recent years, the development and wide application of micro-electronic technology brings forward high demands for active thermal management systems. However, such systems are not only costly, but also usually tethered, and need constant power to operate. To avoid such a limitation, smart thermal management systems…

Advanced Sensor and Energy Harvesting MaterialsThermal properties of materialsThermal Radiation and Cooling Technologies

Microtensile characterization of titanium 5111 alloy mechanical properties and comparison of failure mechanisms at two microstructural length scales

Salahudin Nimer、Richard K. Everett、Marc Zupan2019-07-29Materials & Design

Micro-scale mechanical characterization of materials is a useful technique for understanding local material behavior, particularly where inhomogeneous materials or microstructures are present. In this work, a custom microsample testing system that utilizes digital image correlation (DIC) is used to measure the respons…

Advanced Welding Techniques AnalysisWelding Techniques and Residual StressesTitanium Alloys Microstructure and Properties

Extraordinarily large kinetic isotope effect on alkene hydrogenation over Rh-based intermetallic compounds

Shinya Furukawa、Pingping Yi、Yuji Kunisada 等 4 位作者2019-07-29Science and Technology of Advanced Materials

A series of Rh-based intermetallic compounds supported on silica was prepared and tested in alkene hydrogenation at room temperature. H2 and D2 were used as the hydrogen sources and the kinetic isotope effect (KIE) in hydrogenation was studied. In styrene hydrogenation, the KIE values differed strongly depending on th…

Advanced Chemical Physics StudiesHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen Reduction

Porous Carbon derived from Pine Nut Shell prepared by Steam Activation for Supercapacitor Electrode Material

Liyuan Qin、Zhiwei Hou、Shuang Lü 等 6 位作者2019-07-29International Journal of Electrochemical Science

Porous activated carbon (AC) is prepared by the steam activation of biochar prepared from pyrolyzed pine nut shell as a precursor. The effects of various activation temperatures, activation times and steam flow rates on the structure and properties of the obtained ACs are compared and analyzed. The cyclic voltammetry,…

Supercapacitor Materials and FabricationBiodiesel Production and ApplicationsAerogels and thermal insulation

CO Oxidation over Au/ZnO: Unprecedented Change of the Reaction Mechanism at Low Temperature Caused by a Different O2 Activation Process

Takeshi Fujita、Tamao Ishida、Kohei Shibamoto 等 7 位作者2019-07-29ACS Catalysis

Au/ZnO prepared by coprecipitation exhibited extremely high catalytic activity for low-temperature CO oxidation below room temperature. The catalytic activity was influenced by the reduction atmosphere in the preparation and the heat treatment in air before the reaction. Reduction of Au III by H 2 not only gave smalle…

ZnO doping and propertiesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions