about
Formation versus hydrolysis of the peptide bond from a quantum-mechanical viewpoint: The role of mineral surfaces and implications for the origin of life.Physisorption of aromatic organic contaminants at the surface of hydrophobic/hydrophilic silica geosorbents: a B3LYP-D modeling study.Deep-space glycine formation via Strecker-type reactions activated by ice water dust mantles. A computational approach.Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level.Ab initio modeling of protein/biomaterial interactions: competitive adsorption between glycine and water onto hydroxyapatite surfaces.A quantum mechanical study of the reactivity of (SiO)2-defective silica surfaces.Physisorption vs. chemisorption of probe molecules on boron nitride nanomaterials: the effect of surface curvature.Coordination of (glycyl)(n)glycine (n = 1-3) to Co+ and Co2+.Neutral vs zwitterionic glycine forms at the water/silica interface: structure, energies, and vibrational features from B3LYP periodic simulations.The role of defective silica surfaces in exogenous delivery of prebiotic compounds: clues from first principles calculations.Design, selection, and characterization of thioflavin-based intercalation compounds with metal chelating properties for application in Alzheimer's disease.Ab initio modeling of protein/biomaterial interactions: glycine adsorption at hydroxyapatite surfaces.Radical recombination in interstellar ices, a not so simple mechanism.Binding properties of Cu(+/2+)-(glycyl)n glycine complexes (n = 1-3).Formaldehyde chemistry in cometary ices: the case of HOCH2OH formation.Does silica surface catalyse peptide bond formation? New insights from first-principles calculations.Interstellar H adsorption and H₂ formation on the crystalline (010) forsterite surface: a B3LYP-D2* periodic study.Reactivity of Metal Carbenes with Olefins: Theoretical Insights on the Carbene Electronic Structure and Cyclopropanation Reaction Mechanism.The mechanism of hexamethylenetetramine (HMT) formation in the solid state at low temperature.Insights on the binding of Thioflavin derivative markers to amyloid-like fibril models from quantum chemical calculations.Ab initio modelling of protein-biomaterial interactions: influence of amino acid polar side chains on adsorption at hydroxyapatite surfaces.Interaction of organic compounds with chondritic silicate surfaces. Atomistic insights from quantum chemical periodic simulations.Ab initio design of chelating ligands relevant to Alzheimer's disease: influence of metalloaromaticity.Seeds Of Life In Space (SOLIS): The Organic Composition Diversity at 300–1000 au Scale in Solar-type Star-forming RegionsA plausible link between the asteroid 21 Lutetia and CH carbonaceous chondritesIn silico strategies for the selection of chelating compounds with potential application in metal-promoted neurodegenerative diseasesGround and Low-Lying States of Cu2+−H2O. A Difficult Case for Density Functional MethodsSilicate-mediated interstellar water formation: A theoretical study.Interaction of Glycine with Isolated Hydroxyl Groups at the Silica Surface: First Principles B3LYP Periodic SimulationRole of Mineral Surfaces in Prebiotic Chemical Evolution. In Silico Quantum Mechanical StudiesIs the peptide bond formation activated by Cu(2+) interactions? Insights from density functional calculationsAluminosilicate surfaces as promoters for peptide bond formation: an assessment of Bernal's hypothesis by ab initio methodsDoes adsorption at hydroxyapatite surfaces induce peptide folding? Insights from large-scale B3LYP calculationsFormation of hydroxyacetonitrile (HOCH2CN) and polyoxymethylene (POM)-derivatives in comets from formaldehyde (CH2O) and hydrogen cyanide (HCN) activated by waterB3LYP periodic study of the physicochemical properties of the nonpolar (010) Mg-pure and fe-containing olivine surfacesFormation of Hexamethylenetetramine - CommentDoes Fe(2+) in olivine-based interstellar grains play any role in the formation of H2? Atomistic insights from DFT periodic simulationsPrebiotic Peptide Bond Formation Through Amino Acid Phosphorylation. Insights from Quantum Chemical SimulationsWhen the Surface Matters: Prebiotic Peptide-Bond Formation on the TiO2 (101) Anatase Surface through Periodic DFT-D2 SimulationsWater Adsorption on MO2 (M = Ti, Ru, and Ir) Surfaces. Importance of Octahedral Distortion and Cooperative Effects
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Q37166288-8E78B5C7-51A5-4926-9192-DEC7E7187374Q43039753-6930F40C-6F61-4AEB-A8B3-4539BF25B4BEQ43112654-2E5193CB-C13E-4BF5-BCCD-5E363BFB711AQ43176719-B45BA35F-0C52-4054-89EA-17C793DF1AA7Q43265314-26643A66-231C-4548-9E9A-72CE54388C2EQ45064320-34928584-0F3F-4880-94FF-4D03C6951056Q45928345-FF44BCFE-9780-4BC9-B109-1C1A81513238Q45932843-45C1B841-7C40-4BB8-B834-1ABEA86A57ADQ46054027-EE7F92AB-1DCA-48C9-9BEE-975C77276F9AQ46072351-E8E5EBE4-70F8-49B6-9D52-512AC5931DF7Q46169343-B3FBAB56-18DE-4D62-864F-09834CB2DC4AQ46260123-409C49E2-85D9-4952-9784-3024FF242320Q46434676-5DF47D83-8F8A-48E1-9EEA-DBA23117CE95Q46718038-72312F14-56EA-4473-AB23-95CF111765F2Q46828438-BEA68895-D767-4FC8-8E9B-BA89746005FEQ46848456-0CC0CD42-651E-4EA7-8F7E-AD5FE1EB954EQ46899914-21B3DB97-5D6E-401D-AFBD-FB90D264AE41Q48234019-B553484A-7CB3-453F-8118-23F5EAA85884Q50505984-71234440-6715-44BB-ADA9-3317FE05B815Q51004612-99041DC8-DBF6-4938-8921-0C8BB38D3B22Q51420024-DF6B0260-C6A2-4662-98ED-FB101DE8B876Q52585502-2C1D2629-8AC7-49C2-B5B9-E09F2130338BQ53320123-2287BA41-53AE-471C-BFF9-CF7C3CE73E77Q57757229-5EB5CE27-62E5-4E7F-AC69-3AEA38198888Q59418720-597AF398-3F7C-4950-9879-E888B171D819Q61445645-31B0E62E-82F4-4DBE-AC29-27417564850FQ61857952-742A3626-0444-43E9-BB3A-F0A10F1655ADQ63377549-83F6C638-F904-42A7-BBB9-6C3BA78D7B41Q63444988-39B4ED46-8337-4554-B330-021929CDAD86Q64229097-A140E797-CF92-489C-BD1C-3270BB0D11FEQ80240422-4E386188-F812-4909-8DE3-3C3E4074F567Q80437552-C35EBA27-A19A-47F7-B80C-F8F9B1347447Q84333235-A45CA57D-E7E9-4CE5-B556-371DB49CBC01Q86672714-4BDD46B6-6F4A-4349-9197-32EFE38AAB8BQ87271973-DEF8FDE1-2512-4F23-819D-3FB4F74E4FDBQ87353056-A40D7E7D-0A99-4A08-BFE1-47A135683209Q89275558-41AD00F8-18A5-42C2-9843-5394FADFED18Q90133226-CF37C05F-4489-4056-8C8C-CFDC18432CA8Q91428846-E35CFA4A-0B9F-457F-8C7A-DB09FD8F7EDDQ92942221-C9AF7C81-5C97-4D27-A29E-FA0C5EEF4A3C
P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
ricercatore
@it
հետազոտող
@hy
name
Albert Rimola
@ast
Albert Rimola
@en
Albert Rimola
@es
Albert Rimola
@nl
type
label
Albert Rimola
@ast
Albert Rimola
@en
Albert Rimola
@es
Albert Rimola
@nl
prefLabel
Albert Rimola
@ast
Albert Rimola
@en
Albert Rimola
@es
Albert Rimola
@nl
P214
P1053
K-1813-2014
P106
P1153
56962709600
57188739323
P21
P214
P31
P3829
P496
0000-0002-9637-4554
P735
P7859
viaf-305880524