NMR crystallography of molecular organics

P Hodgkinson - Progress in Nuclear Magnetic Resonance …, 2020 - Elsevier
Developments of NMR methodology to characterise the structures of molecular organic
structures are reviewed, concentrating on the previous decade of research in which density …

β-Sheet nanocrystalline domains formed from phosphorylated serine-rich motifs in caddisfly larval silk: a solid state NMR and XRD study

JB Addison, NN Ashton, WS Weber… - …, 2013 - ACS Publications
Adhesive silks spun by aquatic caddisfly (order Trichoptera) larvae are used to build both
intricate protective shelters and food harvesting nets underwater. In this study, we use 13C …

Assessment of structures in phosphocaseinate dispersions by A4F, NMR and SAXS: The impact of demineralization and heat treatment on viscosity

MH Nogueira, LA Scudeler, L Humblot, B Doumert… - Food …, 2023 - Elsevier
The present work aims to better understand the relation between heat treatment (Ultra High
Temperature-UHT), partial demineralization of casein micelles (CMs) dispersions and their …

The heterogeneous substructure of casein micelles evidenced by SAXS and NMR in demineralized samples

MH Nogueira, L Humblot, RP Singh, E Dieude-Fauvel… - Food …, 2021 - Elsevier
The casein micelle (CM) have been described as a protein assembly held together by
interactions between phosphoryl groups from the protein moieties, and several internal …

Reversible assembly of β-sheet nanocrystals within caddisfly silk

JB Addison, WS Weber, Q Mou, NN Ashton… - …, 2014 - ACS Publications
Nuclear magnetic resonance (NMR) and X-ray diffraction (XRD) experiments reveal the
structural importance of divalent cation–phosphate complexes in the formation of β-sheet …

Solid-state NMR rationalizes the bone-adhesive properties of serine-and phosphoserine-bearing calcium phosphate cements by unveiling their organic/inorganic …

R Mathew, M Pujari-Palmer, H Guo, Y Yu… - The Journal of …, 2020 - ACS Publications
From a multitude of homonuclear and heteronuclear correlation magic-angle-spinning
(MAS) NMR experiments, we present thorough structural and phase-quantification analyses …

Refined Structures of O-Phospho-l-serine and Its Calcium Salt by New Multinuclear Solid-State NMR Crystallography Methods

R Mathew, B Stevensson, M Edén - The Journal of Physical …, 2021 - ACS Publications
O-phospho-l-serine (Pser) and its Ca salt, Ca [O-phospho-l-serine]· H2O (CaPser), play
important roles for bone mineralization and were recently also proposed to account for the …

Calcium interactions in amelogenin-derived peptide assembly

J Zhang, Y Bai, J Wang, B Li, S Habelitz… - Frontiers in Physiology, 2022 - frontiersin.org
Phosphorylation of serine residues has been recognized as a pivotal event in the evolution
of mineralized tissues in many biological systems. During enamel development, the …

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

D Majhi, B Stevensson, TM Nguyen… - Physical Chemistry …, 2024 - pubs.rsc.org
By using density functional theory (DFT) calculations, we refined the H atom positions in the
structures of β-caffeine (C), α-oxalic acid (OA;(COOH) 2), α-(COOH) 2· 2H2O, β-malonic acid …

How high concentrations of proteins stabilize the amorphous state of calcium orthophosphate: A solid-state nuclear magnetic resonance (NMR) study of the casein …

P De Sa Peixoto, JVC Silva, G Laurent, M Schmutz… - Langmuir, 2017 - ACS Publications
Understanding how proteins stabilize amorphous calcium ortho-phosphate (ACP) phases is
of great importance in biology and for pharmaceutical or food applications. Until now, most …