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List of works by Gerd Buntkowsky

(51)V solid-state NMR investigations and DFT studies of model compounds for vanadium haloperoxidases.

scientific article

15N and 2H NMR relaxation and kinetics of stepwise double proton and deuteron transfer in polycrystalline tetraaza[14]annulene

1H/15N NMR chemical shielding, dipolar15N,2H coupling and hydrogen bond geometry correlations in a novel series of hydrogen-bonded acid-base complexes of collidine with carboxylic acids

2H NMR Theory of Transition Metal Dihydrides: Coherent and Incoherent Quantum Dynamics

2H NMR calculations on polynuclear transition metal complexes: on the influence of local symmetry and other factors

scientific article published on 12 October 2011

2H and 19F solid-state NMR studies of the ionic liquid [C2Py][BTA]-d10 confined in mesoporous silica materials

scientific article published on 16 August 2010

2H solid-state NMR of ruthenium complexes

scientific article published in December 2008

2H-solid-state-NMR study of hydrogen adsorbed on catalytically active ruthenium coated mesoporous silica materials

scientific article published on 13 March 2009

31P-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts

scholarly article by Torsten Gutmann et al published 1 January 2017 in Zeitschrift fuer Physikalische Chemie

A Dynamic Model of Reaction Pathway Effects on Parahydrogen-Induced Nuclear Spin Polarization

scientific article published in 1996

A Mousetrap for Carbenium Ions: NMR Detectives at Work.

scientific article published on 26 June 2015

A highly versatile automatized setup for quantitative measurements of PHIP enhancements

scientific article published on 16 October 2017

A novel green template for the synthesis of mesoporous silica.

scientific article

A novel strategy for site selective spin-labeling to investigate bioactive entities by DNP and EPR spectroscopy

scientific article

A simple method for analyzing 51V solid-state NMR spectra of complex systems

scientific article published on 14 May 2011

Acetylenedicarboxylate and In Situ Generated Chlorofumarate-Based Hafnium(IV)-Metal-Organic Frameworks: Synthesis, Structure, and Sorption Properties

scientific article published on 31 July 2019

Air-Stable Gold Nanoparticles Ligated by Secondary Phosphine Oxides as Catalyst for the Chemoselective Hydrogenation of Substituted Aldehydes: a Remarkable Ligand Effect

scientific article published in 2015

Analysis of the1H NMR Line Shape Found in Animal Lenses

Bestimmung der Substratposition in der Nickel-Superoxiddismutase: eine Modellstudie

scholarly article by Daniel Tietze et al published 25 February 2011 in Angewandte Chemie

Bio-functionalization of nano channels by direct in-pore solid phase peptide synthesis

scientific article published in 2018

Biography of Prof. Dr. Hans-Heinrich Limbach

article by Gerd Buntkowsky published June 2013 in Zeitschrift fuer Physikalische Chemie

Biography of Prof. Dr. Hans-Heinrich Limbach

article by Hellmut Eckert & Gerd Buntkowsky published July 2008 in Solid State Nuclear Magnetic Resonance

Biography of Prof. Dr. Hans-Martin Vieth

article

Bioinspired Interface Engineering for Moisture Resistance in Nacre-Mimetic Cellulose Nanofibrils/Clay Nanocomposites.

scientific article published on 22 May 2017

Braces for the peptide backbone: insights into structure-activity relationships of protease inhibitor mimics with locked amide conformations

scientific article

Breakdown of the Stokes-Einstein Equation for Solutions of Water in Oil Reverse Micelles

scientific article published on 14 September 2020

Bridging the Gap between Homogeneous and Heterogeneous Catalysis: Ortho/Para H2Conversion, Hydrogen Isotope Scrambling, and Hydrogenation of Olefins by Ir(CO)Cl(PPh3)2

scientific article published on 01 July 2004

Characterization of V–Mo–W Mixed Oxide Catalyst Surface Species by 51V Solid-State Dynamic Nuclear Polarization NMR

Coherent D2 rotational tunneling and incoherent D2 dynamics in a solid non-classical RuD2 complex studied by 2H solid state NMR spectroscopy

Coherent manipulation of non-thermal spin order in optical nuclear polarization experiments

scientific article published in March 2017

Combining Freezing Point Depression and Self-Diffusion Data for Characterizing Aggregation.

scientific article published on 18 April 2018

Comparative Study of the Magnetic Field Dependent Signal Enhancement in Solid-State Dynamic Nuclear Polarization Experiments

Compensating the asymmetric probe response in broad MAS NMR spectra of quadrupolar nuclei

scientific article published on 24 June 2017

Correlations between (51)V solid-state NMR parameters and chemical structure of vanadium (V) complexes as models for related metalloproteins and catalysts

scientific article

Counting of labelled tyrosine molecules in hydrophobic yoctolitre wells filled with water.

scientific article

Covalent attachment and growth of nanocrystalline films of photocatalytic TiOF2

scientific article published on 04 November 2014

DFT 2H quadrupolar coupling constants of ruthenium complexes: a good probe of the coordination of hydrides in conjuction with experiments

scientific article published in July 2009

DFT Calculations of51V Solid-State NMR Parameters of Vanadium(V) Model Complexes

scientific article published in 2008

Design of a Heterogeneous Catalyst Based on Cellulose Nanocrystals for Cyclopropanation: Synthesis and Solid-State NMR Characterization

scientific article published on 14 July 2015

Development of a functional cis-prolyl bond biomimetic and mechanistic implications for nickel superoxide dismutase.

scientific article published on July 2010

Dipolar induced Para-Hydrogen-Induced Polarization

scientific article published on 01 September 2014

Direct NMR Evidence for the Presence of Mobile Surface Hydrides on Ruthenium Nanoparticles

article

Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst

Directly vs Indirectly Enhanced 13C in Dynamic Nuclear Polarization Magic Angle Spinning NMR Experiments of Nonionic Surfactant Systems

Dirhodium Coordination Polymers for Asymmetric Cyclopropanation of Diazooxindoles with Olefins: Synthesis and Spectroscopic Analysis

scientific article published on 01 August 2020

Distance and Scalar HH-Coupling Correlations in Transition Metal Dihydrides and Dihydrogen Complexes†

Distinct dynamic behaviors of water molecules in hydrated pores

scientific article

Editorial: Introducing the Intercontinental NMR Seminar ICONS2020

scientific article published on 12 October 2020

Effective PHIP Labeling of Bioactive Peptides Boosts the Intensity of the NMR Signal

scientific article published on 08 October 2014

Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applications

scientific article published on 13 May 2019

Efficient analysis of (51)V solid-state MAS NMR spectra using genetic algorithms.

scientific article published on 27 November 2008

Efficient, Self-Terminating Isolation of Cellulose Nanocrystals through Periodate Oxidation in Pickering Emulsions

scientific article published on 13 September 2018

Encapsulation of a Porous Organic Cage into the Pores of a Metal-Organic Framework for Enhanced CO2 Separation

scientific article published on 03 February 2020

Evidence by15N CPMAS and15N−13C REDOR NMR for Fixation of Atmospheric CO2by Amino Groups of Biopolymers in the Solid State

scientific article published in 1999

From molecular complexes to complex metallic nanostructures--2H solid-state NMR studies of ruthenium-containing hydrogenation catalysts.

scientific article published on 9 May 2013

Gas phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative exchange

scientific article published on 5 January 2018

H-Solid State NMR Studies of Tunneling Phenomena and Isotope Effects in Transition Metal Dihydrides

Heterogeneous self-supported dirhodium(ii) catalysts with high catalytic efficiency in cyclopropanation – a structural study

article published in 2016

High-resolution 2H MAS NMR applied to deuterium analogs of hydrido eta2-dihydrogen complexes

scientific article published on 20 August 2009

Hydrido-Ruthenium Cluster Complexes as Models for Reactive Surface Hydrogen Species of Ruthenium Nanoparticles. Solid-State2H NMR and Quantum Chemical Calculations

article

Hydrogen bonding of water confined in mesoporous silica MCM-41 and SBA-15 studied by 1H solid-state NMR.

scientific article

Hyperpolarized 19F-MRI: parahydrogen-induced polarization and field variation enable 19F-MRI at low spin density

scientific article published on 07 July 2010

Imidazole-Doped Cellulose as Membrane for Fuel Cells: Structural and Dynamic Insights from Solid-State NMR

Immobilization and Characterization of RuCl2(PPh3)3Mesoporous Silica SBA-3

scientific article published in 2013

Immobilization of a chiral dirhodium catalyst on SBA-15 via click-chemistry: Application in the asymmetric cyclopropanation of 3-diazooxindole with aryl alkenes

scientific article published in 2021

Indirect Detection of Short-lived Hydride Intermediates of Iridium N-Heterocyclic Carbene Complexes via Chemical Exchange Saturation Transfer (CEST) Spectroscopy

scholarly article published 24 April 2019

Influence of Nanoconfinement on the pKa of Polyelectrolyte Functionalized Silica Mesopores

scientific article from 2020

Investigation of the surface chemistry of phosphine-stabilized ruthenium nanoparticles--an advanced solid-state NMR study

scientific article published in October 2013

Investigation of water in normal and dehydrated rabbit lenses by 1H NMR and calorimetric measurements

Ionothermal synthesis of crystalline microporous aluminophosphates: Systematic study on the conditions affecting the framework type

Isotope and phase effects on the proton tautomerism in polycrystalline porphycene revealed by NMR.

scientific article published in March 2009

J-coupling nuclear magnetic resonance spectroscopy of liquids in nT fields

scientific article published in January 2006

Kinetics of Coupled Double Proton and Deuteron Transfer in Hydrogen-Bonded Ribbons of Crystalline Pyrazole-4-carboxylic Acid

scientific article published in 2012

Low-temperature NMR studies of Zn tautomerism and hindered rotations in solid zincocene derivatives

scientific article published on 27 March 2008

Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors

scientific article published on 16 October 2020

Magnetic resonance elastography and diffusion-weighted imaging of the sol/gel phase transition in agarose

scientific article published in February 2004

Mechanisms of Dipolar Ortho/Para-H2O Conversion in Ice

scientific article published in 2008

Melting of Low Molecular Weight Compounds in Confinement Observed by2H-Solid State NMR: Biphenyl, a Case Study

scientific article published in 2012

Melting of Naphthalene Confined in Mesoporous Silica MCM-41

article published in 2012

Multi-responsive cellulose nanocrystal–rhodamine conjugates: an advanced structure study by solid-state dynamic nuclear polarization (DNP) NMR

scientific article published on 04 November 2014

NMR Studies of the Reaction Path of the o-H2/p-H2 Spin Conversion Catalyzed by Vaska’s Complex in the Solid State

article published in 2012

NMR and INS Line Shapes of Transition Metal Hydrides in the Presence of Coherent and Incoherent Dihydrogen Exchange

scientific article published in 1998

NMR localization of protons in critical enzyme hydrogen bonds

scientific article published on 12 July 2007

NMR provides checklist of generic properties for atomic-scale models of periodic mesoporous silicas

scientific article published on 4 October 2007

NMR signal enhancement by effective SABRE labeling of oligopeptides.

scientific article published on 17 July 2015

NMR studies of double proton transfer in hydrogen bonded cyclic N,N'-diarylformamidine dimers: conformational control, kinetic HH/HD/DD isotope effects and tunneling

scientific article published on 25 June 2007

NMR studies of solid pentachlorophenol-4-methylpyridine complexes exhibiting strong OHN hydrogen bonds: geometric H/D isotope effects and hydrogen bond coupling cause isotopic polymorphism

scientific article published on 23 August 2012

NMR studies of ultrafast intramolecular proton tautomerism in crystalline and amorphous n,n'-diphenyl-6-aminofulvene-1-aldimine: solid-state, kinetic isotope, and tunneling effects

scientific article published in July 2008

NMR studies on the influence of silica confinements on local and diffusive dynamics in LiCl aqueous solutions approaching their glass transitions

scientific article published on 01 December 2020

NMR studies on the temperature-dependent dynamics of confined water. ⬇️

scientific article

Natural Abundance15N NMR by Dynamic Nuclear Polarization: Fast Analysis of Binding Sites of a Novel Amine-Carboxyl-Linked Immobilized Dirhodium Catalyst

scientific article published on 23 January 2015

New Insight into the Mode of Action of Nickel Superoxide Dismutase by Investigating Metallopeptide Substrate Models

article

New insights into the mechanism of nickel superoxide degradation from studies of model peptides.

scientific article published on 8 December 2017

New investigations of technical rhodium and iridium catalysts in homogeneous phase employing para-hydrogen induced polarization

scientific article published on 07 August 2011

Ni Complex Formation and Protonation States at the Active Site of a Nickel Superoxide Dismutase-Derived Metallopeptide: Implications for the Mechanism of Superoxide Degradation

scientific article published on 21 September 2018

Novel Insights into the Mechanism of the Ortho/Para Spin Conversion of Hydrogen Pairs: Implications for Catalysis and Interstellar Water

scientific article published on 01 March 2006

PHIP-label: parahydrogen-induced polarization in propargylglycine-containing synthetic oligopeptides

scientific article published on 01 September 2013

Para-hydrogen induced polarization in homogeneous phase--an example of how ionic liquids affect homogenization and thus activation of catalysts

scientific article published on 13 August 2009

Parahydrogen Allows Ultrasensitive Indirect NMR Detection of Catalytic Hydrogen Complexes

Parahydrogen induced polarization in face of keto–enol tautomerism: proof of concept with hyperpolarized ethanol

scientific article published on 21 March 2012

Parahydrogen-induced polarization of carboxylic acids: a pilot study of valproic acid and related structures

scientific article published on 9 May 2014

Parahydrogen-induced polarization transfer to 19F in perfluorocarbons for 19F NMR spectroscopy and MRI.

scientific article published on 22 March 2013

Phase separation of a hafnium alkoxide-modified polysilazane upon polymer-to-ceramic transformation—A case study

scholarly article by Emanuel Ionescu et al published July 2012 in Journal of the European Ceramic Society

Polymorphism of N,N''-diacetylbiuret studied by solid-state 13C and 15N NMR spectroscopy, DFT calculations, and X-ray diffraction

scientific article

Pyridine-15NA Mobile NMR Sensor for Surface Acidity and Surface Defects of Mesoporous Silica

article by Ilja G. Shenderovich et al published October 2003 in Journal of Physical Chemistry

Quasi-Equilibria and Polarization Transfer Between Adjacent and Remote Spins: H-C CP MAS Kinetics in Glycine

article

Reactions of olefins with ruthenium hydride nanoparticles: NMR characterization, hydride titration, and room-temperature C--C bond activation

scientific article published in January 2008

Realizing the Potential of Acetylenedicarboxylate by Functionalization to Halofumarate in ZrIV Metal-Organic Frameworks

scientific article published on 22 August 2018

Recent Advances in Solid State NMR of Small Molecules in Confinement

Reconciling Local Structure Disorder and the Relaxor State in (Bi1/2Na1/2)TiO3-BaTiO3.

scientific article published on 22 August 2016

Reorientation of Deeply Cooled Water in Mesoporous Silica: NMR Studies of the Pore-Size Dependence

scientific article published on 25 February 2019

Revealing Structure Reactivity Relationships in Heterogenized Dirhodium Catalysts by Solid-State NMR Techniques

Revealing the Position of the Substrate in Nickel Superoxide Dismutase: A Model Study

article

Revealing the configuration and crystal packing of organic compounds by solid-state NMR spectroscopy: methoxycarbonylurea, a case study

scientific article

Ruthenium nanoparticles inside porous [Zn4O(bdc)3] by hydrogenolysis of adsorbed [Ru(cod)(cot)]: a solid-state reference system for surfactant-stabilized ruthenium colloids

scientific article

Secondary phosphineoxides as pre-ligands for nanoparticle stabilization

Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange

scientific article published on 15 September 2016

Selective carbon-carbon bond cleavage of 2,2'-dibromotolane via photolysis of its appropriate (diphosphine)Pt0 complex in the solid state

scientific article published on 20 February 2008

Single-Source-Precursor Synthesis of Hafnium-Containing Ultrahigh-Temperature Ceramic Nanocomposites (UHTC-NCs)

scholarly article by Jia Yuan et al published 18 September 2014 in Inorganic Chemistry

Single-source-precursor synthesis of dense SiC/HfC(x)N(1-x)-based ultrahigh-temperature ceramic nanocomposites

Single-source-precursor synthesis of hafnium-containing ultrahigh-temperature ceramic nanocomposites (UHTC-NCs)

scholarly article by Jia Yuan et al published 6 October 2014 in Inorganic Chemistry

Singlet-contrast magnetic resonance imaging: unlocking hyperpolarization with metabolism

scientific article published on 19 December 2020

Small Molecules, Non-Covalent Interactions, and Confinement

scientific article published on 21 July 2020

Solid State and Gas Phase NMR Studies of Immobilized Catalysts and Catalytic Active Nanoparticles

Solid-State Nuclear Magnetic Resonance as a Versatile Tool To Identify the Main Chemical Components of Epoxy-Based Thermosets

scientific article published on 04 March 2020

Solid-state NMR Studies of Supported Transition Metal Catalysts and Nanoparticles

Solid-state NMR characterization of Wilkinson's catalyst immobilized in mesoporous SBA-3 silica

scientific article published in June 2010

Solid-state NMR concepts for the investigation of supported transition metal catalysts and nanoparticles

scientific article published on 2 August 2013

Solid-state NMR studies of aminocarboxylic salt bridges in L-lysine modified cellulose.

scientific article

Solid-state NMR study of the SH3 domain of ?-spectrin: application of13C-15N TEDOR and REDOR

Spin dynamics in experiments on orthodeuterium induced polarization (ODIP)

scientific article published on 01 September 2020

Static field gradient NMR studies of water diffusion in mesoporous silica

scientific article published on 18 June 2020

Structural Insights into Peptides Bound to the Surface of Silica Nanopores

scientific article published on 13 March 2019

Structural and dynamical properties of guest molecules confined in mesoporous silica materials revealed by NMR.

scientific article published on 09 July 2007

Structurally diverse μ-conotoxin PIIIA isomers block sodium channel NaV 1.4.

scientific article published on 12 March 2012

Strukturell diverse Isomere des μ-Conotoxins PIIIA blockieren den Natriumkanal NaV1.4

Surprising Differences of Alkane C‐H Activation Catalyzed by Ruthenium Nanoparticles: Complex Surface‐Substrate Recognition?

Synthesis and Solid-State NMR Characterization of a Robust, Pyridyl-Based Immobilized Wilkinson's Type Catalyst with High Catalytic Performance

Synthesis and high-temperature evolution of single-phase amorphous Si–Hf–N ceramics

Synthesis and solid state NMR characterization of novel peptide/silica hybrid materials

scientific article published on 18 September 2015

Synthesis, solid-state NMR characterization, and application for hydrogenation reactions of a novel Wilkinson's-type immobilized catalyst

scientific article published on 12 December 2013

The Interplay of Nanoconfinement and pH from the Perspective of a Dye-Reporter Molecule

scientific article from 2020

The application of novel Ir-NHC polarization transfer complexes by SABRE

scientific article published on 01 December 2019

Theoretical description of hyperpolarization formation in the SABRE-relay method

scientific article published on 01 October 2020

Thermoreversible Self-Assembly of Perfluorinated Core-Coronas Cellulose-Nanoparticles in Dry State

scientific article published on 6 October 2017

Time domain para hydrogen induced polarization.

scientific article

Topochemical Fluorination of LaNiO: Unprecedented Ordering of Oxide and Fluoride Ions in LaNiOF

Total correlation spectroscopy across all NMR-active nuclei by mixing at zero field

scientific article published on 10 August 2020

Trityl-Aryl-Nitroxide-Based Genuinely g-Engineered Biradicals, As Studied by Dynamic Nuclear Polarization, Multifrequency ESR/ENDOR, Arbitrary Wave Generator Pulse Microwave Waveform Spectroscopy, and Quantum Chemical Calculations

scientific article published on 16 August 2019

Ultrafast Single-Scan 2D NMR Spectroscopic Detection of a PHIP-Hyperpolarized Protease Inhibitor

scientific article published on 17 February 2019

Understanding the leaching properties of heterogenized catalysts: a combined solid-state and PHIP NMR study.

scientific article published on November 2010

Unusual Local Molecular Motions in the Solid State Detected by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy

Water and small organic molecules as probes for geometric confinement in well-ordered mesoporous carbon materials.

scientific article

Zinc Thiolate Complexes [ZnLn(SR)]+ with Azamacrocyclic Ligands, Part II: Mechanism of the Reaction with CS2

“Triazole Bridge”: Disulfide‐Bond Replacement by Ruthenium‐Catalyzed Formation of 1,5‐Disubstituted 1,2,3‐Triazoles ⬇️

scientific article published on 04 May 2011

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