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An investigation of supramolecular synthons in 1,2,4-triazole-3(4H)-thione compounds. X-ray crystal structures, energetic and Hirshfeld surface analysis
(Elsevier Science, 2019-11)
A series of four closely related 1,2,4-triazole-3-thione (1-4) compounds was obtained by heterocyclization of thiosemicarbazides under basic catalytic conditions. The crystal structures of the 4-alkyl-5-(substituted-phen ...
Fast transient boundary control and steady-state operation of the dual active bridge converter using the natural switching surface
(Institute of Electrical and Electronics Engineers, 2014-02)
This paper presents a boundary control scheme for Dual Active Bridge (DAB) converters using the Natural Switching Surface (NSS). The implementation of a curved switching surface for DAB converters is a new area of ...
Experimentally Approaching the Solvent-Accessible Surface Area of a Protein: Insights into the Acid Molten Globule of Bovine α-Lactalbumin
(Academic Press Ltd - Elsevier Science Ltd, 2009-12)
Each conformational state of a protein is inextricably related to a defined extent of solvent exposure that plays a key role in protein folding and protein interactions. However, accurate measurement of the solvent-accessible ...
Spot-beam effect in grazing atom-surface collisions: From quantum to classical
(IOP Publishing, 2018-10)
Grazing incidence fast atom diffraction (GIFAD) is a sensitive tool for surface analysis, which strongly relies on the quantum coherence of the incident beam. In this article we study the spot-beam effect, due to contributions ...
Identification of key reaction intermediates during toluene combustion on a Pd/CeO2 catalyst using operando modulated DRIFT spectroscopy
(Elsevier Science, 2021-09)
Operando DRIFT spectroscopy is used to elucidate the role of key reaction intermediates during toluene oxidation on a Pd/CeO2 catalyst and bare CeO2 support. Selective identification of active surface species and their ...
Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model
(American Chemical Society, 2006-12)
Oscillations and pattern formation driven by a surface reconstruction are studied for the catalytic reduction of NO by CO on Pt(100) single-crystal surfaces through dynamic Monte Carlo simulations at low pressure and ...
Embedded beam element with interaction surface for lateral loading of piles
(John Wiley & Sons Ltd, 2016-02)
This paper presents a numerical formulation of a three-dimensional embedded beam element for the modeling of piles, which incorporates an explicit interaction surface between soil and pile. The formulation is herein ...
Phase conversions in neutron stars: Implications for stellar stability and gravitational wave astrophysics
(Multidisciplinary Digital Publishing Institute, 2021-12)
We review the properties of hybrid stars with a quark matter core and a hadronic mantle, focusing on the role of key micro-physical properties such as the quark/hadron surface and curvature tensions and the conversion speed ...
Exploring the core level shift origin of sulfur and thiolates on Pd(111) surfaces
(Royal Society Of Chemistry, 2015-10)
Thiol molecules on planar metal surfaces are widely used for building sensing and electronic devices and also as capping agents to protect and to control the size and shape of nanoparticles. In the case of Pd the thiol ...
Assessing Different Ways of Bacillus subtilis Spreading over Abiotic Surfaces
(Bio-Protocol LLC, 2019-11)
Surface-associate motility on biotic and abiotic environments is a key mechanism used by the model bacterium Bacillus subtilis and its closest relatives (i.e., B. amyloliquefaciens, B. thuringiensis, B. cereus, B. pumilus) ...