Towards operando computational modeling in heterogeneous catalysis

L Grajciar, CJ Heard, AA Bondarenko… - Chemical Society …, 2018 - pubs.rsc.org
An increased synergy between experimental and theoretical investigations in
heterogeneous catalysis has become apparent during the last decade. Experimental work …

The emergence of mass spectrometry for characterizing nanomaterials. Atomically precise nanoclusters and beyond

C Comby-Zerbino, X Dagany, F Chirot, P Dugourd… - Materials …, 2021 - pubs.rsc.org
Mass spectrometry (MS) is widely used in molecular science, and is now emerging as a
characterization technique for ultra-small nanoparticles. In the field of atomically precise …

Dissociation of gas phase ions of atomically precise silver clusters reflects their solution phase stability

P Chakraborty, A Baksi, E Khatun, A Nag… - The Journal of …, 2017 - ACS Publications
We report an attempt to probe into the energy demand of the fragmentation of atomically
precise silver clusters using collision induced dissociation mass spectrometry. Energy …

Tuning structural and optical properties of thiolate-protected silver clusters by formation of a silver core with confined electrons

L Gell, A Kulesza, J Petersen, MIS Röhr… - The Journal of …, 2013 - ACS Publications
We present a systematic theoretical investigation of the structural and optical properties of
thiolate-protected silver clusters with the goal to design species exhibiting strong absorption …

Facile one-pot scalable strategy to engineer biocidal silver nanocluster assembly on thiolated PVDF membranes for water purification

M Sharma, N Padmavathy, S Remanan, G Madras… - RSC …, 2016 - pubs.rsc.org
Biofouling, due to bacterial growth and colonization, is a significant obstacle in water
treatment that severely affects the membrane performance. Nanofiltration effectively …

Theoretical design of new class of optical materials based on small noble metal nanocluster-biomolecule hybrids and its potential for medical applications

V Bonačić-Koutecký - Advances in Physics: X, 2017 - Taylor & Francis
The unique linear and non-linear optical (NLO) properties of small noble metal nanoclusters
in hybrid systems formed with peptides will be overviewed. Focus is on two aspects based …

The nature of electronic excitations at the metal–bioorganic interface illustrated on histidine–silver hybrids

Ž Sanader, R Mitrić, V Bonačić-Koutecký… - Physical Chemistry …, 2014 - pubs.rsc.org
We present a joint theoretical and experimental study of the structure selective optical
properties of cationic and anionic histidine–silver complexes with Ag and Ag3 which were …

Atomically precise clusters of gold and silver: A new class of nonlinear optical nanomaterials

R Antoine - Frontier Research Today, 2018 - hal.science
Functional ligand-protected metal cluster nanomaterials with increased two-photon
absorption and two-photon excited emission might result in new technologies within the …

Optical properties of prodigiosin and obatoclax: action spectroscopy and theoretical calculations

P Dugourd, E Dumont, N Aronssohn… - Physical Chemistry …, 2015 - pubs.rsc.org
Prodiginine molecules (prodigiosin and obatoclax) are well-known pH-chromic dyes with
promising anti-tumor properties. They present multiple tautomeric and rotameric forms. The …

Pilot screening of potential matrikines resulting from collagen breakages through ionizing radiation

J Montanari, L Schwob, A Marie-Brasset… - Radiation and …, 2024 - Springer
Little is known regarding radiation-induced matrikines and the possible degradation of
extracellular matrix following therapeutic irradiation. The goal of this study was to determine …