Molecular interaction and partitioning in α-keratin using H NMR spin-lattice () relaxation times.

J R Soc Interface

Institute of Chemical Biology, Department of Chemistry, MSRH, Imperial College London, White City Campus, 80-92 Wood Lane, London W12 0BZ, UK.

Published: December 2021

The interactions between small molecules and keratins are poorly understood. In this paper, a nuclear magnetic resonance method is presented to measure changes in the H relaxation times of small molecules in human hair keratin to quantify their interaction with the fibre. Two populations of small-molecule compounds were identified with distinct relaxation times, demonstrating the partitioning of the compounds into different keratin environments. The changes in relaxation time for solvent in hair compared with bulk solvent were shown to be related to the molecular weight (MW) and the partition coefficient, LogP, of the solvent investigated. Compounds with low MWs and high hydrophilicities had greater reductions in their relaxation times and therefore experienced increased interactions with the hair fibre. The relative population sizes were also calculated. This is a significant step towards modelling the behaviour of small molecules in keratinous materials and other large insoluble fibrous proteins.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8652266PMC
http://dx.doi.org/10.1098/rsif.2021.0698DOI Listing

Publication Analysis

Top Keywords

relaxation times
16
small molecules
12
changes relaxation
8
relaxation
5
molecular interaction
4
interaction partitioning
4
partitioning α-keratin
4
α-keratin nmr
4
nmr spin-lattice
4
spin-lattice relaxation
4

Similar Publications

Baseline and Follow-Up Cardiac Magnetic Resonance Imaging Findings in Children with Acute Myocarditis and Factors Associated with Late Gadolinium Enhancement.

J Clin Med

December 2024

Department of Pediatric Cardiology, Istanbul Mehmet Akif Ersoy Thoracic and Cardiovascular Surgery Training and Research Hospital, University of Health Sciences, Istanbul 34303, Turkey.

: Cardiac magnetic resonance (CMR) plays a central role in the diagnosis and follow-up of acute myocarditis (AM). In this study, we aimed to evaluate baseline and follow-up CMR findings and associated factors in children with AM. : A retrospective analysis of CMR in pediatric patients with clinical presentations suggestive of myocarditis was performed.

View Article and Find Full Text PDF

Mattress firmness is a critical factor influencing sleep quality. This study investigates the effects of time, mattress firmness, and anthropometric parameters on surface electromyographic (sEMG) activity during supine rest. Eleven participants were analyzed, and the values for lower back sEMG on three mattresses were measured as 8.

View Article and Find Full Text PDF

Background: There is compelling evidence of an inverse association between potassium intake and blood pressure (BP). A potential mechanism for this effect may be dietary potassium-mediated augmentation of endothelium-dependent relaxation. To date, studies have investigated potassium intake supplementation over several weeks in healthy volunteers with variable results on vascular function.

View Article and Find Full Text PDF

This research explores how varying proportions of virgin polyethylene terephthalate (vPET) and recycled polyethylene terephthalate (rPET) in vPET-rPET blends, combined with preform thermal conditions during the stretch blow molding (SBM) process, influence PET bottles' microscopic characteristics. Key metrics such as viscosity, density, crystallinity, amorphous phase relaxation, and microcavitation were assessed using response surface methodology (RSM). Statistical analysis, including Analysis of variance (ANOVA) and its power, supported the interpretation of results.

View Article and Find Full Text PDF

Carbon-fiber composites with thermoplastic matrices offer many processing and performance benefits in aerospace applications, but the long relaxation times of polymers make it difficult to predict how the structure of the matrix depends on its chemistry and how it was processed. Coarse-grained models of polymers can enable access to these long-time dynamics, but can have limited applicability outside the systems and state points that they are validated against. Here we develop and validate a minimal coarse-grained model of the aerospace thermoplastic poly(etherketoneketone) (PEKK).

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!