Materialia

The excel file has 11 different sheets. The sheets contain the following data a. Effect of grain size distribution (Sn) on grain boundary fraction. Four different Sn values were considered. Sn of 0.2, 0.5, 0.75 and 1 b. The maximum value of grain boundary segregation Xgb as a function of solute concentration X and grain size d was determined c. The effect of Sn on Xgb and consequently its effect on gamma (specific grain boundary energy of the parent element) was determined d. The calculations for the heat of segregation is also included

Supplementary test data supporting data mentioned in research publication

This document is a supplementary material

Supplemental material for mechanical activation enhanced solid-state synthesis of NaCrO2 cathode material.

input files to in deformation simulations

Mass spektra for the Hf(NCBO) and Zr(CONB) phases.

This paper focuses on the synthesis of cationic antibacterial polymers that could be a potential for new generation antibiotics with well-defined architecture derived by Ring Opening Metathesis Polymerization (ROMP) technique. Mono and double charge bearing quaternary groups have been used to synthesize cationic homopolymers (MWs: 3000 and 10000 g/mole) and their copolymers (MWs: 5000 g/mole). Hemolytic concentration (HC50, ≥1000 µg/mL) and MTS assay results showed that the polymers are non-toxic. It has been observed the double charge bearing polymers has the highest antimicrobial activity (S. aureus= 8 µg/mL) and a high selectivity with a value of 250 against S. aureus. Percent killing efficiencies were tested on glass surface and moderate killing efficiency was observed between a ranges 40-80% in 5 minutes. Cationic charge density and zeta potential studies were used to investigate mechanism of antimicrobial efficiency of the polymer in solution during the action against S. aureus to understand structure-activity relationship.

Compression and relaxation curves of materials developed.

Research into artificial bone scaffolds has increased substantially over the past decade as current solutions have significant limitations. Inspired by mineral hydroxyapatite (HAP) in natural bone, this study developed a facile in situ HAP coating on cellulose nanocrystals (CNCs) matrix followed by a crosslinking reaction. By controlling the added amount of CNCs to a simulated body fluid (SBF), HAP content in the nanocomposite could be controlled between 0 and 40.1%, with a HAP coating thickness of approx10 nm. Moreover, CNCs/HAP was crosslinked with poly(methyl vinyl ether-alt-maleic acid) (PMVEMA) and polyethylene glycol (PEG) to enhance its water stability and mechanical properties. FTIR and NMR analysis revealed that crosslinking happened via an esterification reaction between CNCs, HAP, PMVEMA and PEG. Compression strength of the scaffolds showed a result as high as 41.8 MPa, almost 20 times of scaffold prepared by just mixing CNCs and HAP. Further investigations revealed that this scaffold was highly porous (as high as 91.0%) and lightweight (with a density around 60 mg/cm3). Interestingly, this composite showed good biocompatibility as it can stabilize BSA protein, suggesting a promising material as a bone scaffold.

Cell files used for the DFT calculations in the article.