Publications related to Steady state (chemistry)

Characterization of intralaminar mode I fracture of AS4/PPS composite using inverse identification and micromechanics

John Botsis, Georgios Pappas, Luis Pablo Canal Casado

A detailed experimental-numerical study of large scale bridging during intralaminar fracture of AS4/PPS uniaxial thermoplastic composite is reported. Identification of bridging tractions is carried out using: (a) An inverse identification method based on q ...

Elsevier2016

Using Separable Nonnegative Matrix Factorization Techniques for the Analysis of Time-Resolved Raman Spectra

Robert Gerhard Jérôme Luce

The key challenge of time-resolved Raman spectroscopy is the identification of the constituent species and the analysis of the kinetics of the underlying reaction network. In this work we present an integral approach that allows for determining both the co ...

Sage Publications Inc2016

MATHICSE Technical Report : Using separable non-negative matrix factorization techniques for the analysis of time-resolved Raman spectra

Robert Gerhard Jérôme Luce

The key challenge of time-resolved Raman spectroscopy is the identification of the constituent species and the analysis of the kinetics of the underlying reaction network. In this work we present an integral approach that allows for determining both the co ...

MATHICSE2016

Infrared Plasmonic Biosensor for Real-Time and Label-Free Monitoring of Lipid Membranes

Hatice Altug, Dordaneh Etezadi, Daniel Rodrigo Lopez, Odeta Limaj

In this work, we present an infrared plasmonic biosensor for chemical-specific detection and monitoring of biomimetic lipid membranes in a label-free and real-time fashion. Lipid membranes constitute the primary biological interface mediating cell signalin ...

American Chemical Society2016

Anandamide Hydrolysis in FAAH Reveals a Dual Strategy for Efficient Enzyme-Assisted Amide Bond Cleavage via Nitrogen Inversion

Ursula Röthlisberger, Andrea Cavalli, Pablo Campomanes Ramos, Giulia Palermo

Herein, we combined classical molecular dynamics (MD) and quantum mechanical/molecular mechanics (QM/MM) simulations to unravel the whole catalytic cycle of fatty acid amide hydrolase (FAAH) in complex with anandamide, the main neurotransmitters involved i ...

2015

Delamination in cross-ply laminates: Identification of traction-separation relations and cohesive zone modeling

John Botsis, Joël Cugnoni, Ebrahim Farmand Ashtiani, David Enrique Alanis Rojas

Identification of traction separation relations is at the forefront of damage and fracture mechanics of composite laminates. Such relations are of particular interest in fracture of laminates consisting of layers of different fiber orientations. In this st ...

Elsevier2015

Description of the capacity degradation mechanism in LaNi5-based alloy electrodes

Philippe Mauron, Mariana Spodaryk, Marco Roman Holzer

The mechanism of the capacity degradation of LaNi5-based alloy electrodes was investigated with a special focus on the influence of the alloy and surface composition, as well as the unique structure obtained by gas atomisation. The electrochemical properti ...

Elsevier Science Sa2015

Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations

Jiri Vanicek, Marcin Rafal Buchowiecki, Jing Huang

The primary H/D kinetic isotope effect on the intramolecular proton transfer in malonaldehyde is determined from quantum instanton path integral Monte Carlo simulations on a fully dimensional and validated potential energy surface for temperatures between ...

Royal Society of Chemistry2014

Reactivity enhancement of oxide skins in reversible Ti-doped NaAlH4

The reversibility of hydrogen sorption in complex hydrides has only been shown unambiguously for NaAlH4 doped with transition metal compounds. Despite a multitude of investigations of the effect of the added catalyst on the hydrogen sorption kinetics of Na ...

Amer Inst Physics2014

Real Time Determination of the Electronic Structure of Unstable Reaction Intermediates during Au2O3 Reduction

Chemical reactions are always associated with electronic structure changes of the involved chemical species. Determining the electronic configuration of an atom allows probing its chemical state and gives understanding of the reaction pathways. However, of ...

Amer Chemical Soc2014

Steady state (chemistry)

Characterization of intralaminar mode I fracture of AS4/PPS composite using inverse identification and micromechanics

Using Separable Nonnegative Matrix Factorization Techniques for the Analysis of Time-Resolved Raman Spectra

MATHICSE Technical Report : Using separable non-negative matrix factorization techniques for the analysis of time-resolved Raman spectra

Infrared Plasmonic Biosensor for Real-Time and Label-Free Monitoring of Lipid Membranes

Anandamide Hydrolysis in FAAH Reveals a Dual Strategy for Efficient Enzyme-Assisted Amide Bond Cleavage via Nitrogen Inversion

Delamination in cross-ply laminates: Identification of traction-separation relations and cohesive zone modeling

Description of the capacity degradation mechanism in LaNi5-based alloy electrodes

Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations

Reactivity enhancement of oxide skins in reversible Ti-doped NaAlH4

Real Time Determination of the Electronic Structure of Unstable Reaction Intermediates during Au2O3 Reduction

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Description of the capacity degradation mechanism in LaNi5-based alloy electrodes

Anandamide Hydrolysis in FAAH Reveals a Dual Strategy for Efficient Enzyme-Assisted Amide Bond Cleavage via Nitrogen Inversion

Characterization of intralaminar mode I fracture of AS4/PPS composite using inverse identification and micromechanics

Reactivity enhancement of oxide skins in reversible Ti-doped NaAlH4

MATHICSE Technical Report : Using separable non-negative matrix factorization techniques for the analysis of time-resolved Raman spectra

Real Time Determination of the Electronic Structure of Unstable Reaction Intermediates during Au2O3 Reduction

Infrared Plasmonic Biosensor for Real-Time and Label-Free Monitoring of Lipid Membranes

Using Separable Nonnegative Matrix Factorization Techniques for the Analysis of Time-Resolved Raman Spectra

Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations

Delamination in cross-ply laminates: Identification of traction-separation relations and cohesive zone modeling