Lista de obras - Radek Marek - Dominio Público Uruguay

(-)-Armepavine: Gradient-Enhanced 2D NMR Study and X-Ray Crystal Structure Determination

129Xe NMR chemical shift in Xe@C60 calculated at experimental conditions: essential role of the relativity, dynamics, and explicit solvent.

artículo científico publicado en 2013

13C chemical shift tensors in hypoxanthine and 6-mercaptopurine: effects of substitution, tautomerism, and intermolecular interactions

artículo científico publicado en 2010

1H,13C and15N NMR coordination shifts in gold(III), cobalt(III), rhodium(III) chloride complexes with pyridine, 2,2′-bipyridine and 1,10-phenanthroline

scholarly article by Leszek Pazderski et al published 2006 in Magnetic Resonance in Chemistry

1H-, 13C-, and 15N-NMR chemical shifts for selected glucosides and ribosides of aromatic cytokinins.

artículo científico publicado en 2010

2-(3-Acylselenoureido)benzonitriles and 2-(3-Acylselenoureido)thiophene-3-carbonitriles. Preparation, Structure Elucidation, Cyclization and Retrocyclization Reactions

A new isoflavanone from Iresine herbstii

artículo científico publicado en 2010

A relativistic DFT methodology for calculating the structures and NMR chemical shifts of octahedral platinum and iridium complexes.

artículo científico publicado en 2013

All-Metal Aromaticity: Revisiting the Ring Current Model among Transition Metal Clusters

artículo científico publicado en 2013

Anatomy of Base Pairing in DNA by Interacting Quantum Atoms

artículo científico publicado en 2020

Anion Recognition by a Bioactive Diureidodecalin Anionophore: Solid-State, Solution, and Computational Studies

artículo científico publicado en 2018

Anion-π Interactions in Flavoproteins Involve a Substantial Charge-Transfer Component

artículo científico publicado en 2017

Anti-Electrostatic CH-Ion Bonding in Decorated Graphanes.

artículo científico publicado en 2017

Antibacterial C-geranylflavonoids from Paulownia tomentosa Fruits.

artículo científico publicado en 2008

Asymmetric bifurcated halogen bonds

artículo científico publicado en 2015

Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels.

artículo científico publicado en 2012

Chemical Shift Tensors in Isomers of Adenine: Relation to Aromaticity of Purine Rings?

scientific article published on 14 December 2010

Chemoprotective and toxic potentials of synthetic and natural chalcones and dihydrochalcones in vitro.

artículo científico publicado en 2005

Comment on "Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening"

scientific article published on 30 April 2019

Cooperative Binding of Cucurbit[n]urils and β-Cyclodextrin to Heteroditopic Imidazolium-Based Guests

artículo científico publicado en 2016

Covalent bonding of azoles to quaternary protoberberine alkaloids

artículo científico publicado en 2008

Cytotoxic activities of several geranyl-substituted flavanones.

artículo científico publicado en 2010

Design of stereoelectronically promoted super lewis acids and unprecedented chemistry of their complexes.

artículo científico publicado en 2014

Designing a New Class of Bases for Nucleic Acid Quadruplexes and Quadruplex-Active Ligands.

artículo científico publicado en 2015

Differentiation between isomeric phenylglycidyl ether adducts of 2′-deoxyguanosine and 2′-deoxyguanosine-5′-monophosphate using liquid chromatography/electrospray tandem mass spectrometry

artículo científico publicado en 1999

Dracophane, a metacyclophane derivative from the resin of Dracaena cinnabari Balf

article

Electron density shift in imidazolium derivatives upon complexation with cucurbit[6]uril.

artículo científico publicado en 2009

Electron-Spin Structure and Metal–Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts

scientific article published on 14 December 2018

Experimental and quantum-chemical studies of 15N NMR coordination shifts in palladium and platinum chloride complexes with pyridine, 2,2'-bipyridine and 1,10-phenanthroline.

artículo científico publicado en 2006

Exploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach

artículo científico publicado en 2014

Extractions of isoquinoline alkaloids with butanol and octanol.

artículo científico publicado en 2010

Frontispiece: Anion-π Interactions in Flavoproteins Involve a Substantial Charge-Transfer Component

Gradient-Enhanced Inverse-Detected NMR Techniquesfor Determination of 1H-15N Coupling Constants in 2,2-Dimethylpenta-3,4-dienal Derivatives

Heads or Tails? Sandwich-Type Metallo Complexes of Hexakis(2,3-di-O-methyl)-α-cyclodextrin

artículo científico publicado en 2020

High-Frequency (13)C and (29)Si NMR Chemical Shifts in Diamagnetic Low-Valence Compounds of Tl(I) and Pb(II): Decisive Role of Relativistic Effects

artículo científico publicado en 2016

How Does a Container Affect Acidity of its Content? Charge-Depletion Bonding Inside Fullerenes.

artículo científico publicado en 2018

Hyperfine Effects in Ligand NMR: Paramagnetic Ru(III) Complexes with 3-Substituted Pyridines.

artículo científico publicado en 2017

In Silico Study of (Mn, Fe, Co, Ni, Zn)-BTC Metal–Organic Frameworks for Recovering Xenon from Exhaled Anesthetic Gas

scholarly article by Pezhman Zarabadi-Poor & Radek Marek published 5 October 2018 in ACS Sustainable Chemistry & Engineering

Intermolecular Interactions in Crystalline Theobromine as Reflected in Electron Deformation Density and (13)C NMR Chemical Shift Tensors

artículo científico publicado en 2013

Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) Complexes

scientific article published on 13 July 2018

Interpretation of indirect nuclear spin-spin couplings in isomers of adenine: novel approach to analyze coupling electron deformation density using localized molecular orbitals

artículo científico publicado en 2010

Interpretation of substituent effects on 13C and 15N NMR chemical shifts in 6-substituted purines

artículo científico publicado en 2011

Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations

artículo científico publicado en 2016

Isoquinoline alkaloids: a15N NMR and x-ray study. Part 2

Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling.

artículo científico publicado en 2017

Locked and Loaded: Ruthenium(II)-Capped Cucurbit[n]uril-Based Rotaxanes with Antimetastatic Properties

scientific article published on 29 July 2019

Lone-pair-π interactions: analysis of the physical origin and biological implications.

artículo científico publicado en 2016

Loss of loop adenines alters human telomere d[AG3(TTAG3)3] quadruplex folding

artículo científico publicado en 2014

Mechanism of Spin–Orbit Effects on the Ligand NMR Chemical Shift in Transition-Metal Complexes: Linking NMR to EPR

article

Modified Guanines as Constituents of Smart Ligands for Nucleic Acid Quadruplexes

artículo científico publicado en 2016

Modulating Electron Sharing in Ion-π-Receptors via Substitution and External Electric Field: A Route toward Bond Strengthening

artículo científico publicado en 2016

Multi-center covalency: revisiting the nature of anion–π interactions

article

N7- and N9-substituted purine derivatives: a15N NMR study

NMR determination of pKa values of indoloquinoline alkaloids

artículo científico publicado en 2009

NMR study of 5-substituted pyrazolo[3,4-c]pyridine derivatives

Natural compound cudraflavone B shows promising anti-inflammatory properties in vitro.

artículo científico publicado en 2011

Nucleic Acid Quadruplexes Based on 8-Halo-9-deazaxanthines: Energetics and Noncovalent Interactions in Quadruplex Stems

article

Nucleotides containing variously modified sugars: energetics, structure, and mechanical properties.

artículo científico publicado en 2015

On the non-classical contribution in lone-pair–π interaction: IQA perspective

artículo científico publicado en 2015

Origin of the conformational modulation of the 13C NMR chemical shift of methoxy groups in aromatic natural compounds.

artículo científico publicado en 2013

Palmatine and Berberine Isolation Artifacts ⬇️

artículo científico publicado el 1 de abril de 2003

Platinum-Modified Adenines: Unprecedented Protonation Behavior Revealed by NMR Spectroscopy and Relativistic Density-Functional Theory Calculations

artículo científico publicado en 2012

Potential energy surface and binding energy in the presence of an external electric field: modulation of anion-π interactions for graphene-based receptors

artículo científico publicado en 2014

Pyridoxine as a Substrate for Screening Synthetic Potential of Glycosidases

Quaternary protoberberine alkaloids.

artículo científico publicado en 2006

Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table

artículo científico publicado en 2020

Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained.

artículo científico publicado en 2018

Revision of the Structure of Escholidine

artículo científico publicado en 2006

Solvent effects on ion-receptor interactions in the presence of an external electric field.

artículo científico publicado en 2016

Structural Studies of Chelirubine and Chelilutine Free Bases

Structural and solvent effects on the13C and15N NMR chemical shifts of indoloquinoline alkaloids: experimental and DFT study

Structural studies of benzophenanthridine alkaloid free bases by NMR spectroscopy

Structural study of 8-azole derivatives of protoberberine alkaloids: experimental and quantum chemical approach

artículo científico publicado en 2010

Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches.

artículo científico publicado en 2015

Substituting CF2for O4′ in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic Lesions

article

Supramolecular Covalence in Bifurcated Chalcogen Bonding

artículo científico publicado en 2017

Supramolecular Shuttle Based on Inclusion Complex between Cucurbit[6]uril and Bispyridinium Ethylene

article

Synthesis and structure-activity relationship studies of theophylline analogs on population responses in the rat hippocampus in vitro

artículo científico publicado en 2008

Synthesis and tautomerism study of 7-substituted pyrazolo[3,4-c]pyridines

Tailoring the properties of quadruplex nucleobases for biological and nanomaterial applications

artículo científico publicado en 2014

The studies of tautomerism in 6-mercaptopurine derivatives by 1H–13C, 1H–15N NMR and 13C, 15N CPMAS-experimental and quantum chemical approach

Theoretical and experimental NMR study of protopine hydrochloride isomers

artículo científico publicado en 2005

Through-Space Paramagnetic NMR Effects in Host-Guest Complexes: Potential Ruthenium(III) Metallodrugs with Macrocyclic Carriers.

artículo científico publicado en 2018

Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths

artículo científico publicado en 2014

Understanding the Electronic Factors Responsible for Ligand Spin–Orbit NMR Shielding in Transition-Metal Complexes

artículo científico publicado en 2015

Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects

artículo científico publicado en 2010

Unwilling U–U bonding in U2@C80: cage-driven metal–metal bonds in di-uranium fullerenes

artículo científico publicado en 2015

Validation of Relativistic DFT Approaches to the Calculation of NMR Chemical Shifts in Square-Planar Pt2+and Au3+Complexes

scientific article published on 29 November 2011

Water-tryptophan interactions: lone-pair---pi or O-H---pi? Molecular dynamics simulations of beta-galactosidase suggest that both modes can co-exist

artículo científico publicado en 2018

Weak Supramolecular Interactions Governing Parallel and Antiparallel DNA Quadruplexes: Insights from Large-Scale Quantum Mechanics Analysis of Experimentally Derived Models

artículo científico publicado en 2017

Zwitterionic Ru(III) Complexes: Stability of Metal-Ligand Bond and Host-Guest Binding with Cucurbit[7]uril

artículo científico publicado en 2020

Lista de obras de Radek Marek

(-)-Armepavine: Gradient-Enhanced 2D NMR Study and X-Ray Crystal Structure Determination

129Xe NMR chemical shift in Xe@C60 calculated at experimental conditions: essential role of the relativity, dynamics, and explicit solvent.

13C chemical shift tensors in hypoxanthine and 6-mercaptopurine: effects of substitution, tautomerism, and intermolecular interactions

1H,13C and15N NMR coordination shifts in gold(III), cobalt(III), rhodium(III) chloride complexes with pyridine, 2,2′-bipyridine and 1,10-phenanthroline

1H-, 13C-, and 15N-NMR chemical shifts for selected glucosides and ribosides of aromatic cytokinins.

2-(3-Acylselenoureido)benzonitriles and 2-(3-Acylselenoureido)thiophene-3-carbonitriles. Preparation, Structure Elucidation, Cyclization and Retrocyclization Reactions

A new isoflavanone from Iresine herbstii

A relativistic DFT methodology for calculating the structures and NMR chemical shifts of octahedral platinum and iridium complexes.

All-Metal Aromaticity: Revisiting the Ring Current Model among Transition Metal Clusters

Anatomy of Base Pairing in DNA by Interacting Quantum Atoms

Anion Recognition by a Bioactive Diureidodecalin Anionophore: Solid-State, Solution, and Computational Studies

Anion-π Interactions in Flavoproteins Involve a Substantial Charge-Transfer Component

Anti-Electrostatic CH-Ion Bonding in Decorated Graphanes.

Antibacterial C-geranylflavonoids from Paulownia tomentosa Fruits.

Asymmetric bifurcated halogen bonds

Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels.

Chemical Shift Tensors in Isomers of Adenine: Relation to Aromaticity of Purine Rings?

Chemoprotective and toxic potentials of synthetic and natural chalcones and dihydrochalcones in vitro.

Comment on "Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening"

Cooperative Binding of Cucurbit[n]urils and β-Cyclodextrin to Heteroditopic Imidazolium-Based Guests

Covalent bonding of azoles to quaternary protoberberine alkaloids

Cytotoxic activities of several geranyl-substituted flavanones.

Design of stereoelectronically promoted super lewis acids and unprecedented chemistry of their complexes.

Designing a New Class of Bases for Nucleic Acid Quadruplexes and Quadruplex-Active Ligands.

Differentiation between isomeric phenylglycidyl ether adducts of 2′-deoxyguanosine and 2′-deoxyguanosine-5′-monophosphate using liquid chromatography/electrospray tandem mass spectrometry

Dracophane, a metacyclophane derivative from the resin of Dracaena cinnabari Balf

Electron density shift in imidazolium derivatives upon complexation with cucurbit[6]uril.

Electron-Spin Structure and Metal–Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts

Experimental and quantum-chemical studies of 15N NMR coordination shifts in palladium and platinum chloride complexes with pyridine, 2,2'-bipyridine and 1,10-phenanthroline.

Exploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach

Extractions of isoquinoline alkaloids with butanol and octanol.

Frontispiece: Anion-π Interactions in Flavoproteins Involve a Substantial Charge-Transfer Component

Gradient-Enhanced Inverse-Detected NMR Techniquesfor Determination of 1H-15N Coupling Constants in 2,2-Dimethylpenta-3,4-dienal Derivatives

Heads or Tails? Sandwich-Type Metallo Complexes of Hexakis(2,3-di-O-methyl)-α-cyclodextrin

High-Frequency (13)C and (29)Si NMR Chemical Shifts in Diamagnetic Low-Valence Compounds of Tl(I) and Pb(II): Decisive Role of Relativistic Effects

How Does a Container Affect Acidity of its Content? Charge-Depletion Bonding Inside Fullerenes.

Hyperfine Effects in Ligand NMR: Paramagnetic Ru(III) Complexes with 3-Substituted Pyridines.

In Silico Study of (Mn, Fe, Co, Ni, Zn)-BTC Metal–Organic Frameworks for Recovering Xenon from Exhaled Anesthetic Gas

Intermolecular Interactions in Crystalline Theobromine as Reflected in Electron Deformation Density and (13)C NMR Chemical Shift Tensors

Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) Complexes

Interpretation of indirect nuclear spin-spin couplings in isomers of adenine: novel approach to analyze coupling electron deformation density using localized molecular orbitals

Interpretation of substituent effects on 13C and 15N NMR chemical shifts in 6-substituted purines

Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations

Isoquinoline alkaloids: a15N NMR and x-ray study. Part 2

Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling.

Locked and Loaded: Ruthenium(II)-Capped Cucurbit[n]uril-Based Rotaxanes with Antimetastatic Properties

Lone-pair-π interactions: analysis of the physical origin and biological implications.

Loss of loop adenines alters human telomere d[AG3(TTAG3)3] quadruplex folding

Mechanism of Spin–Orbit Effects on the Ligand NMR Chemical Shift in Transition-Metal Complexes: Linking NMR to EPR

Modified Guanines as Constituents of Smart Ligands for Nucleic Acid Quadruplexes

Modulating Electron Sharing in Ion-π-Receptors via Substitution and External Electric Field: A Route toward Bond Strengthening

Multi-center covalency: revisiting the nature of anion–π interactions

N7- and N9-substituted purine derivatives: a15N NMR study

NMR determination of pKa values of indoloquinoline alkaloids

NMR study of 5-substituted pyrazolo[3,4-c]pyridine derivatives

Natural compound cudraflavone B shows promising anti-inflammatory properties in vitro.

Nucleic Acid Quadruplexes Based on 8-Halo-9-deazaxanthines: Energetics and Noncovalent Interactions in Quadruplex Stems

Nucleotides containing variously modified sugars: energetics, structure, and mechanical properties.

On the non-classical contribution in lone-pair–π interaction: IQA perspective

Origin of the conformational modulation of the 13C NMR chemical shift of methoxy groups in aromatic natural compounds.

Palmatine and Berberine Isolation Artifacts ⬇️

Platinum-Modified Adenines: Unprecedented Protonation Behavior Revealed by NMR Spectroscopy and Relativistic Density-Functional Theory Calculations

Potential energy surface and binding energy in the presence of an external electric field: modulation of anion-π interactions for graphene-based receptors

Pyridoxine as a Substrate for Screening Synthetic Potential of Glycosidases

Quaternary protoberberine alkaloids.

Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table

Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained.

Revision of the Structure of Escholidine

Solvent effects on ion-receptor interactions in the presence of an external electric field.

Structural Studies of Chelirubine and Chelilutine Free Bases

Structural and solvent effects on the13C and15N NMR chemical shifts of indoloquinoline alkaloids: experimental and DFT study

Structural studies of benzophenanthridine alkaloid free bases by NMR spectroscopy

Structural study of 8-azole derivatives of protoberberine alkaloids: experimental and quantum chemical approach

Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches.

Substituting CF2for O4′ in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic Lesions

Supramolecular Covalence in Bifurcated Chalcogen Bonding

Supramolecular Shuttle Based on Inclusion Complex between Cucurbit[6]uril and Bispyridinium Ethylene

Synthesis and structure-activity relationship studies of theophylline analogs on population responses in the rat hippocampus in vitro

Synthesis and tautomerism study of 7-substituted pyrazolo[3,4-c]pyridines