Results 51 to 60 of about 24,900 (287)

Influence of an Argon/Silane Atmosphere on the Temperature of a Thermal Plasma

Advanced Engineering Materials, EarlyView.
The influence of a silane‐doped argon atmosphere on the chemical composition and temperature of a thermal nontransferring argon plasma is investigated using optical emission spectroscopy. As a result of the high amount of free electrons resulting from the stepwise ionization and dissociation of the silane molecule, even a silane addition of 0.01 vol ...
Lena Kreie, David Kramer, Thomas Scheithauer, Hans Jürgen Maier, Thomas Hassel   +4 more
wiley   +1 more source

Dielectric Barrier Discharge Plasma Deoxidation of Natively Oxide Layer of Copper Powders in a Fluidized Bed

Advanced Engineering Materials, EarlyView.
This paper presents a novel approach to reducing oxide layers on metal powders using low‐temperature hydrogen dielectric barrier discharge plasmas at atmospheric pressure. Unlike conventional hydrogen‐plasma reductions, the powders do not contact the plasma directly.
Shukang Zhang, Annett Wollmann, Thomas Gimpel, Alfred P. Weber   +3 more
wiley   +1 more source

Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics. [PDF]

, 2018
The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based metabolomics. We here critically discuss structured elucidation approaches and software that are designed to help during the annotation of unknown compounds.
Blaženović, Ivana, Fiehn, Oliver, Ji, Jian, Kind, Tobias   +3 more
core   +3 more sources

Deterministic Detection of Single Ion Implantation

Advanced Engineering Materials, EarlyView.
Focused ion beam implantation with high detection efficiencies will enable the rapid and scalable fabrication of advanced spin‐based technologies such as qubits. This work presents the detection efficiencies of a wide range of ions implanted into solid‐state hosts, with efficiencies of >90% recorded for ion species and substrate combinations of ...
Mason Adshead, Lok Kan Wan, Maddison Coke, Janet Jacobs, Nicholas F. L. Collins, Mark C. Rosamond, Richard J. Curry   +6 more
wiley   +1 more source

Corrosion inhibitor potential of four phenyltetrazoles derivatives using density functional theory and quantitative structure-activity relationships approach

Journal of Applied Sciences and Environmental Management, 2019
The corrosion inhibition potential of four phenyltetrazole derivatives (M1- 4) were investigated by theoretical methods. The efficiency of corrosion inhibitors depends on many quantum chemical descriptors: chemical hardness, softness, electronegativity,
B.T. Ogunyemi, I.A. Adejoro
doaj   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

DFT-QTAIM Study of Gold Nanoparticles and Cyclic Peptide as Effective Drug Nanocarriers

Orbital: The Electronic Journal of Chemistry, 2020
In this study, cyclic peptide (CP) with cyclooctaglycine model and gold nanoparticles (AuNP) with Au6 cluster model were used to examin the function of penicillamine (PCA) drug on ten different configurations of cyclic peptide-gold nanoparticles (CPAuNP).
Bahareh Khoshbayan, Ali Morsali, Safar Ali Beyramabadi, Mohammad Reza Bozorgmehr   +3 more
doaj   +3 more sources

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

Advanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger, Anna Mauri, Yang Cui, Sebastian Josef Weishäupl, Ali Deniz Özdemir, Hamad Syed, Aleksandr Ovsianikov, Wolfgang Wenzel, Alexander Pöthig, Jürgen Hauer, Mariana Kozlowska, Roland Augustinus Fischer   +11 more
wiley   +1 more source

A Multivariate QSAR Study on the Anticonvulsant Activity of Acetamido-N-Benzylacetamide Derivatives. Influence of Different Molecular Descriptors [PDF]

, 2012
A quantitative structure activity relationship analysis was applied to a library of 51 benzylacetamide derivatives with anticonvulsant activity. The molecular structures of 51 compounds were optimized with the Semiempirical Method PM6 (Parametric Method ...
Castro, Eduardo Alberto, Duchowicz, Pablo Román, Estrada, Mario Rinaldo, Garro Martinez, Juan Ceferino   +3 more
core   +1 more source

Advancing Electronic Application of Coordination Solids: Enhancing Electron Transport and Device Integration via Surface‐Mounted MOFs (SURMOFs)

Advanced Functional Materials, EarlyView.
The layer‐by‐layer (LbL) assembly of coordination solids, enabled by the surface‐mounted metal‐organic framework (SURMOF) platform, is on the cusp of generating the organic counterpart of the epitaxy of inorganics. The programmable and sequential SURMOF protocol, optimized by machine learning (ML), is suited for accessing high‐quality thin films of ...
Zhengtao Xu, Christof Wöll, Stefan Bräse   +2 more
wiley   +1 more source