Related publications (110)

Thermodynamics and kinetics of protonated merocyanine photoacids in water

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Daniel Maria Busiello, Euro Solari, Cristian Pezzato, Stefano Zamuner, Cesare Berton

Metastable-state photoacids (mPAHs) are chemical species whose photo-activated state is long-lived enough to allow for proton diffusion. Liao's photoacid (1) represents the archetype of mPAHs, and is being widely used on account of its unique capability to ...
2020

Systematic model reduction captures the dynamics of extrinsic noise in biochemical subnetworks

Barbara Bravi

We consider the general problem of describing the dynamics of subnetworks of larger biochemical reaction networks, e.g., protein interaction networks involving complex formation and dissociation reactions. We propose the use of model reduction strategies t ...
AMER INST PHYSICS2020

Electrochemical evaluation of iron-binding ligands along the Australian GEOTRACES southwestern Pacific section (GP13)

In this work, we performed electrochemical investigations of Fe-binding ligands in water samples collected in autumn 2011 along the Australian GEOTRACES southwestern Pacific section (GP13, between 153 degrees E and 170 degrees W longitude along the 30 degr ...
2020

Adaptation of Pseudomonas aeruginosa to constant sub-inhibitory concentrations of quaternary ammonium compounds

Urs von Gunten, Giovanni Dietler, Sandor Kasas, Florian Frédéric Vincent Breider, Leonardo Venturelli, Myriam Borgatta

Quaternary ammonium compounds (QACs) are widely used in consumer products for disinfection purposes. QACs are frequently detected in aquatic systems at sub-inhibitory concentrations and were found to affect the development of antimicrobial resistance if ba ...
2020

Epitope Mapping and Fine Specificity of Human T and B Cell Responses for Novel Candidate Blood-Stage Malaria Vaccine P27A

Bruno Emanuel Ferreira De Sousa Correia, Che Yang, Daniel Guignard

P27A is a novel synthetic malaria vaccine candidate derived from the blood stage Plasmodium falciparum protein Trophozoite Exported Protein 1 (TEX1/PFF0165c). In phase 1a/1b clinical trials in malaria unexposed adults in Switzerland and in malaria pre-expo ...
2020

On the effect of ligand shell heterogeneity on nanoparticle/protein binding thermodynamics

Francesco Stellacci, Ahmet Bekdemir, Suiyang Liao

Nonspecific protein adhesion to nanoparticle (NP) has been proven to have important implications in nanomedicine. However, there are only a few examples of careful studies relating protein binding thermodynamics to NP physicochemical features. In particula ...
2019

CHD3 Dissociation on the Kinked Pt(210) Surface: A Comparison of Experiment and Theory

Rainer Beck, Ana Gutiérrez González, Helen Jane Chadwick

To be able to simulate activated heterogeneously catalyzed reactions on the edge and corner sites of nanoparticles, a method for calculating accurate activation barriers for the reactions is required. We have recently demonstrated that a semiempirical spec ...
2019

Effect of Single-Point Mutations on Nitric Oxide Rebinding and the Thermodynamic Stability of Myoglobin

Polydefkis Diamantis

The effect of single amino acid mutations on the rebinding dynamics of nitrogen monoxide (NO) to myoglobin is investigated using reactive molecular dynamics simulations. In particular, mutations of residues surrounding the heme-active site (Leu29, His64, V ...
AMER CHEMICAL SOC2019

Photoinduced disinfection in sunlit natural waters: Measurement of the second order inactivation rate constants between E-coli and photogenerated transient species

César Pulgarin, Stefanos Giannakis, Jean Arnaud Troyon

This work uncovers the implications of the estimation of exogenous inactivation rates for E. coli after the initial lag phase, and presents a strategy for the determination of the second-order inactivation rate constants (k2nd) of these bacteria with relev ...
PERGAMON-ELSEVIER SCIENCE LTD2018

Coexistence of two distinct Sulfurospirillum populations respiring tetrachloroethene—genomic and kinetic considerations

Christof Holliger, Julien Maillard, Géraldine Florence Buttet, Alexandra Marie Murray, Mélissa Burion

Two anaerobic bacterial consortia, each harboring a distinct Sulfurospirillum population, were derived from a 10 year old consortium, SL2, previously characterized for the stepwise dechlorination of tetrachloroethene (PCE) to cis-dichloroethene (cis-DCE) v ...
FEMS Microbiology Ecology, Vol. 94, Issue 12018

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