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Direct Experimental Evidence for Abundant BO4–BO4 Motifs in Borosilicate Glasses From Double-Quantum 11B NMR Spectroscopy

The journal of physical chemistry letters, 2018-11, Vol.9 (21), p.6372-6376

2018

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Metadynamics Simulations of the pH-Dependent Adsorption of Phosphoserine and Citrate on Disordered Apatite Surfaces: What Interactions Govern the Molecular Binding?

Journal of physical chemistry. C, 2021-06, Vol.125 (22), p.11987-12003

2021

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Sub-Nanometer-Range Structural Effects From Mg2+ Incorporation in Na-Based Borosilicate Glasses Revealed by Heteronuclear NMR and MD Simulations

The journal of physical chemistry. B, 2024-07, Vol.128 (28), p.6922-6939

2024

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Structure-composition trends in multicomponent borosilicate-based glasses deduced from molecular dynamics simulations with improved B-O and P-O force fields

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (12), p.8192-8209

2018

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Assessing the Phosphate Distribution in Bioactive Phosphosilicate Glasses by 31P Solid-State NMR and Molecular Dynamics Simulations

The journal of physical chemistry. B, 2014-07, Vol.118 (29), p.8863-8876

2014

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BO3/BO4 Intermixing in Borosilicate Glass Networks Probed by Double-Quantum 11B NMR: What Factors Govern BO4–BO4 Formation?

Journal of physical chemistry. C, 2023-10, Vol.127 (40), p.20026-20040

2023

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Scandium and Yttrium Environments in Aluminosilicate Glasses Unveiled by Sc-45/Y-89 NMR Spectroscopy and DFT Calculations: What Structural Factors Dictate the Chemical Shifts?

Journal of physical chemistry. C, 2017-08, Vol.121 (34), p.18815

2017

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Toward a Rational Design of Bioactive Glasses with Optimal Structural Features: Composition–Structure Correlations Unveiled by Solid-State NMR and MD Simulations

The journal of physical chemistry. B, 2014-01, Vol.118 (3), p.833-844

2014

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The Carbonate and Sodium Environments in Precipitated and Biomimetic Calcium Hydroxy-Carbonate Apatite Contrasted with Bone Mineral: Structural Insights from Solid-State NMR

Journal of physical chemistry. C, 2021-05, Vol.125 (19), p.10572-10592

2021

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A unified Na-23 NMR chemical shift correlation with structural parameters in multicomponent silicate-based glasses

Journal of the American Ceramic Society, 2020-02, Vol.103 (2), p.762

2020

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1H and 13C chemical shift–structure effects in anhydrous β-caffeine and four caffeine–diacid cocrystals probed by solid-state NMR experiments and DFT calculations

Physical chemistry chemical physics : PCCP, 2024-05, Vol.26 (19), p.14345-14363

2024

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The Bearings from Rare-Earth (RE = La, Lu, Sc, Y) Cations on the Oxygen Environments in Aluminosilicate Glasses: A Study by Solid State O-17 NMR, Molecular Dynamics Simulations, and DFT Calculations

Journal of physical chemistry. C, 2016-06, Vol.120 (24), p.13181

2016

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Direct ¹⁷O NMR experimental evidence for Al-NBO bonds in Si-rich and highly polymerized aluminosilicate glasses

Physical chemistry chemical physics : PCCP, 2015-07, Vol.17 (28), p.18269-18272

2015

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Cation field‐strength effects on ion irradiation‐induced mechanical property changes of borosilicate glass structures

Journal of the American Ceramic Society, 2023-10, Vol.106 (10), p.5766-5780

2023

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Proto-Calcite and Proto-Vaterite in Amorphous Calcium Carbonates

Angewandte Chemie (International ed.), 2010-11, Vol.49 (47), p.8889-8891

2010

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Multicolor Fluorescent Labeling of Cellulose Nanofibrils by Click Chemistry

Biomacromolecules, 2015-04, Vol.16 (4), p.1293-1300

2015

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Structure and formation of amorphous calcium phosphate and its role as surface layer of nanocrystalline apatite: Implications for bone mineralization

Materialia, 2021-06, Vol.17, p.101107, Article 101107

Edén, Mattias

2021

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Direct Probing of the Phosphate-Ion Distribution in Bioactive Silicate Glasses by Solid-State NMR: Evidence for Transitions between Random/Clustered Scenarios

Chemistry of materials, 2013-05, Vol.25 (9), p.1877-1885

2013

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Medium-Range Structural Organization of Phosphorus-Bearing Borosilicate Glasses Revealed by Advanced Solid-State NMR Experiments and MD Simulations: Consequences of B/Si Substitutions

The journal of physical chemistry. B, 2017-10, Vol.121 (41), p.9737-9752

2017

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Surface Reactions of Mesoporous Bioactive Glasses Monitored by Solid-State NMR: Concentration Effects in Simulated Body Fluid

Journal of physical chemistry. C, 2016-03, Vol.120 (9), p.4961-4974

2016

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Structural Role of Sodium in Borosilicate, Phosphosilicate, and Borophosphosilicate Glasses Unveiled by Solid-State NMR and MD Simulations

Journal of physical chemistry. C, 2019-10, Vol.123 (42), p.25816-25832

2019

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Nuclear Magnetic Resonance and Metadynamics Simulations Reveal the Atomistic Binding of l‑Serine and O‑Phospho‑l‑Serine at Disordered Calcium Phosphate Surfaces of Biocements

Chemistry of materials, 2022-10, Vol.34 (19), p.8815-8830

2022

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Biomimetic Apatite Mineralization Mechanisms of Mesoporous Bioactive Glasses as Probed by Multinuclear 31P, 29Si, 23Na and 13C Solid-State NMR

Journal of physical chemistry. C, 2010-11, Vol.114 (45), p.19345-19356

2010

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Advanced solid-state H-1/P-31 NMR characterization of pyrophosphate-doped calcium phosphate cements for biomedical applications: The structural role of pyrophosphate

Ceramics international, 2019, Vol.45 (16), p.20642

2019

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Solid-State 31P and 1H NMR Investigations of Amorphous and Crystalline Calcium Phosphates Grown Biomimetically From a Mesoporous Bioactive Glass

Journal of physical chemistry. C, 2011-10, Vol.115 (42), p.20572-20582

2011

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Direct Experimental Evidence for Abundant BO4–BO4 Motifs in Borosilicate Glasses From Double-Quantum 11B NMR Spectroscopy

Metadynamics Simulations of the pH-Dependent Adsorption of Phosphoserine and Citrate on Disordered Apatite Surfaces: What Interactions Govern the Molecular Binding?

Sub-Nanometer-Range Structural Effects From Mg2+ Incorporation in Na-Based Borosilicate Glasses Revealed by Heteronuclear NMR and MD Simulations

Structure-composition trends in multicomponent borosilicate-based glasses deduced from molecular dynamics simulations with improved B-O and P-O force fields

Assessing the Phosphate Distribution in Bioactive Phosphosilicate Glasses by 31P Solid-State NMR and Molecular Dynamics Simulations

BO3/BO4 Intermixing in Borosilicate Glass Networks Probed by Double-Quantum 11B NMR: What Factors Govern BO4–BO4 Formation?

Scandium and Yttrium Environments in Aluminosilicate Glasses Unveiled by Sc-45/Y-89 NMR Spectroscopy and DFT Calculations: What Structural Factors Dictate the Chemical Shifts?

Toward a Rational Design of Bioactive Glasses with Optimal Structural Features: Composition–Structure Correlations Unveiled by Solid-State NMR and MD Simulations

The Carbonate and Sodium Environments in Precipitated and Biomimetic Calcium Hydroxy-Carbonate Apatite Contrasted with Bone Mineral: Structural Insights from Solid-State NMR

A unified Na-23 NMR chemical shift correlation with structural parameters in multicomponent silicate-based glasses

1H and 13C chemical shift–structure effects in anhydrous β-caffeine and four caffeine–diacid cocrystals probed by solid-state NMR experiments and DFT calculations

The Bearings from Rare-Earth (RE = La, Lu, Sc, Y) Cations on the Oxygen Environments in Aluminosilicate Glasses: A Study by Solid State O-17 NMR, Molecular Dynamics Simulations, and DFT Calculations

Direct ¹⁷O NMR experimental evidence for Al-NBO bonds in Si-rich and highly polymerized aluminosilicate glasses

Cation field‐strength effects on ion irradiation‐induced mechanical property changes of borosilicate glass structures

Proto-Calcite and Proto-Vaterite in Amorphous Calcium Carbonates

Multicolor Fluorescent Labeling of Cellulose Nanofibrils by Click Chemistry

Structure and formation of amorphous calcium phosphate and its role as surface layer of nanocrystalline apatite: Implications for bone mineralization

Direct Probing of the Phosphate-Ion Distribution in Bioactive Silicate Glasses by Solid-State NMR: Evidence for Transitions between Random/Clustered Scenarios

Medium-Range Structural Organization of Phosphorus-Bearing Borosilicate Glasses Revealed by Advanced Solid-State NMR Experiments and MD Simulations: Consequences of B/Si Substitutions

Surface Reactions of Mesoporous Bioactive Glasses Monitored by Solid-State NMR: Concentration Effects in Simulated Body Fluid

Structural Role of Sodium in Borosilicate, Phosphosilicate, and Borophosphosilicate Glasses Unveiled by Solid-State NMR and MD Simulations

Nuclear Magnetic Resonance and Metadynamics Simulations Reveal the Atomistic Binding of l‑Serine and O‑Phospho‑l‑Serine at Disordered Calcium Phosphate Surfaces of Biocements

Biomimetic Apatite Mineralization Mechanisms of Mesoporous Bioactive Glasses as Probed by Multinuclear 31P, 29Si, 23Na and 13C Solid-State NMR

Advanced solid-state H-1/P-31 NMR characterization of pyrophosphate-doped calcium phosphate cements for biomedical applications: The structural role of pyrophosphate

Solid-State 31P and 1H NMR Investigations of Amorphous and Crystalline Calcium Phosphates Grown Biomimetically From a Mesoporous Bioactive Glass

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