Pregled po CROSBI profilu: David Matthew Smith (CROSBI Profil: 26953, MBZ: 260506)
Pronađeno 148 radova
-
1.Improving the Performance of Supported Ionic Liquid Phase Catalysts for the Ultra-Low-Temperature Water Gas Shift Reaction Using Organic Salt Additives // ACS Catalysis, 12 (2022), 9; 5661-5672 doi:10.1021/acscatal.1c05979 (međunarodna recenzija, članak, znanstveni)
-
2.Mass Spectrometric Quantification of Volatile Compounds Released by Fresh Atlantic Salmon Stored at 4 °C under Modified Atmosphere Packaging and Vacuum Packaging for up to 16 Days // ACS Food Science and Technology, 2 (2021), 3; 400-414 doi:10.1021/acsfoodscitech.1c00259 (međunarodna recenzija, članak, znanstveni)
-
3.An Exact Algorithm to Detect the Percolation Transition in Molecular Dynamics Simulations of Cross-Linking Polymer Networks // Journal of chemical theory and computation, 17 (2021), 10; 6449-6457 doi:10.1021/acs.jctc.1c00423 (međunarodna recenzija, članak, znanstveni)
-
4.Glycerol as a Substrate and Inactivator of Coenzyme B12‐Dependent Diol Dehydratase // Chemistry : a European journal, 27 (2021), 29; 7930-7941 doi:10.1002/chem.202100416 (međunarodna recenzija, članak, znanstveni)
-
5.Adsorption of Aspartate Derivatives to Calcite Surfaces in Aqueous Environment // Crystal growth & design, 20 (2020), 5; 2853-2859 doi:10.1021/acs.cgd.0c00061 (međunarodna recenzija, članak, znanstveni)
-
6.Cu carbonyls enhance the performance of Ru-based SILP water–gas shift catalysts: a combined in situ DRIFTS and DFT study // Catalysis Science & Technology, 10 (2020), 1; 252-262 doi:10.1039/c9cy01852b (međunarodna recenzija, članak, znanstveni)
-
7.Structural Characterization of an Ionic Liquid in bulk and in nano-confined environment using data from MD simulations // Data in brief, 28 (2020), 104794, 11 doi:10.1016/j.dib.2019.104794 (međunarodna recenzija, članak, znanstveni)
-
8.Improving the performance of supported ionic liquid phase (SILP) catalysts for the ultra-low-temperature water-gas shift reaction using metal salt additives // Green chemistry, 21 (2019), 18; 5008-5018 doi:10.1039/c9gc02153a (međunarodna recenzija, članak, znanstveni)
-
9.Analysis of glycerol binding within the active site of B12‐dependent diol dehydratase; implications for catalysis and inhibition // 26th Croatian meeting of chemists & chemical engineers (HSKIKI)
Šibenik, Hrvatska, 2019. (predavanje, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
10.The Role of Enzyme Dynamics in Understanding of Suicidal Inactivation of B12-dependent Diol Dehydratase // 2nd Mini symposium on radical enzymes
Zagreb, Hrvatska, 2019. (predavanje, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
11.Computational study of glycerol binding within the active site of coenzyme B12-dependent diol dehydratase // Computational Chemistry Day2019
Zagreb, Hrvatska, 2019. (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
12.The Influence of Chemical Change on Protein Dynamics: A Case Study with Pyruvate Formate‐Lyase // Chemistry : a European journal, 25 (2019), 37; 8741-8753 doi:10.1002/chem.201900663 (međunarodna recenzija, članak, znanstveni)
-
13.Exploring reactive conformations of coenzyme a during binding and unbinding to pyruvate formate–lyase // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 123 (2019), 43; 9345-9356 doi:10.1021/acs.jpca.9b06913 (međunarodna recenzija, članak, znanstveni)
-
14.Insights from molecular dynamics simulations on static and dynamic properties of [C2MIM][NTf2] ionic liquids // 4th Grandmaster Early-Career Workshop in Physics
Split, Hrvatska, 2019. (poster, podatak o recenziji nije dostupan, ostalo, znanstveni) -
15.Resolution of protein hydrogen/deuterium exchange by fitting amide exchange probabilities to the peptide isotopic envelopes // RCM. Rapid communications in mass spectrometry, 33 (2019), 15; 1248-1257 doi:10.1002/rcm.8460 (međunarodna recenzija, članak, znanstveni)
-
16.Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol Dehydratase // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 123 (2019), 29; 6178-6187 doi:10.1021/acs.jpcb.9b04071 (međunarodna recenzija, članak, znanstveni)
-
17.Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces // Journal of colloid and interface science, 553 (2019), 350-363 doi:10.1016/j.jcis.2019.06.017 (međunarodna recenzija, članak, znanstveni)
-
18.Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium-Based Catalysts: A Computational and Experimental Study // Angewandte Chemie. International edition, 58 (2019), 3; 741-745 doi:10.1002/anie.201811627 (međunarodna recenzija, članak, znanstveni)
-
19.Water in an electric field does not dance alone: The relation between equilibrium structure, time dependent viscosity and molecular motions // Journal of molecular liquids, 282 (2019), 303-315 doi:10.1016/j.molliq.2019.02.055 (međunarodna recenzija, članak, znanstveni)
-
20.MD and DFT study of glycerol binding in B12-dependent diol dehydratase // Computational Chemistry Day 2018 / Babić, Darko ; Barić, Danijela ; Cvitaš, Marko ; Despotović, Ines ; Došlić, Nađa ; Hanževački, Marko ; Hrenar, Tomica ; Kovačević, Borislav ; Ljubić, Ivan ; Mihalić, Zlatko ; Vianello, Robert (ur.).
Zagreb: Prirodoslovno-matematički fakultet Sveučilišta u Zagrebu, 2018. str. 25-25 (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
21.Application of a Jump-Diffusion Model to Solid-Liquid Interfaces in Ionic Liquids // DPG-Frühjahrstagung (DPG Spring Meeting) and EPS-CMD27
Berlin, Njemačka, 2018. (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
22.Static and Dynamic Properties of [C2Mim][NTf2] - Ionic Liquid on Neutral Sapphire Surface // 27th EuChemS Conference on Molten Salts and Ionic Liquids - EuCheMSIL 2018 : Book of Abstracts and Program / Santos, Fernando ; Lourenço, Maria José ; Nieto de Castro, Carlos (ur.).
Lisabon: Faculdade de Ciências da Universidade de Lisboa, 2018. (poster, podatak o recenziji nije dostupan, ostalo, znanstveni) -
23.Modeling the Reactions Catalyzed by Coenzyme B12 Dependent Enzymes: Accuracy and Cost- Quality Balance // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 122 (2018), 6; 1747-1755 doi:10.1021/acs.jpca.7b11798 (međunarodna recenzija, članak, znanstveni)
-
24.The Ruđer Bošković Institute: food for thought // Abstracts of the 2nd International Congress on Food Safety and Quality “Food Life Cycle”, Arhiv za higijenu rada i toksikologiju, Vol. 69 No. Supplement / Šostar, Zvonimir ; Šikić, Sandra ; Krivohlavek, Adela (ur.).
Zagreb: Institut za medicinska istraživanja i medicinu rada, 2018. str. 10-10 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
25.Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12 // Journal of the American Chemical Society, 140 (2018), 27; 8487-8496 doi:10.1021/jacs.8b03109 (međunarodna recenzija, članak, znanstveni)
