Evaluation of poly (aspartic acid sodium salt) as a draw solute for forward osmosis

G Gwak, B Jung, S Han, S Hong - Water research, 2015 - Elsevier
Poly (aspartic acid sodium salt)(PAspNa) was evaluated for its potential as a novel draw
solute in forward osmosis (FO). The inherent advantages of PAspNa, such as good water …

All-atom molecular dynamics simulations of weak polyionic brushes: influence of charge density on the properties of polyelectrolyte chains, brush-supported …

HS Sachar, TH Pial, BS Chava, S Das - Soft Matter, 2020 - pubs.rsc.org
All atom molecular dynamics (MD) simulations of planar Na+-counterion-neutralized
polyacrylic acid (PAA) brushes are performed for varying degrees of ionization (and thereby …

Role of concentration and hydrophobic nature of weak polyelectrolytes on adsorption structure and thermodynamics at oil-water interface: Study of several carboxylate …

R Kurapati, U Natarajan - Polymer, 2023 - Elsevier
Intermolecular structure, conformations, solvation and adsorption characteristics of four
partially ionized polycarboxylic acids syndiotactic-poly (acrylic acid)(s-PAA), syndiotactic …

Screening lengths and osmotic compressibility of flexible polyelectrolytes in excess salt solutions

CG Lopez, F Horkay, M Mussel, RL Jones… - Soft matter, 2020 - pubs.rsc.org
We report results of small angle neutron scattering measurements made on sodium
polystyrene sulfonate in aqueous salt solutions. The correlation length (ξ) and osmotic …

Atomistic molecular dynamic simulation of dilute poly (acrylic acid) solution: Effects of simulation size sensitivity and ionic strength

G Yao, J Zhao, SB Ramisetti, D Wen - Industrial & Engineering …, 2018 - ACS Publications
Physical properties of polyelectrolytes have been shown to be significantly related to their
chain conformations. Atomistic simulation has been used as an effective method for studying …

Enhancing cell cryopreservation with acidic polyamino acids integrated liquid marbles

M Liu, L Liang, C Yu, B Guo, H Zhang, F Yao… - Colloids and Surfaces B …, 2024 - Elsevier
Cryopreservation is highly desired for long-term maintenance of the viability of living
biosamples, while effective cell cryopreservation still relies heavily on the addition of …

Coulomb repulsion in short polypeptides

A Norouzy, KI Assaf, S Zhang, MH Jacob… - The Journal of …, 2015 - ACS Publications
Coulomb repulsion between like-charged side chains is presently viewed as a major force
that impacts the biological activity of intrinsically disordered polypeptides (IDPs) by …

Complex role of chemical nature and tacticity in the adsorption free energy of carboxylic acid polymers at the oil–water interface: molecular dynamics simulations

R Kurapati, U Natarajan - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Scientific understanding of the molecular structure and adsorption of polymers at oil–water
liquid interfaces is very limited. In this study the adsorption free energy at the oil (CCl4) …

Factors responsible for the aggregation of poly (vinyl alcohol) in aqueous solution as revealed by molecular dynamics simulations

R Kurapati, U Natarajan - Industrial & Engineering Chemistry …, 2020 - ACS Publications
Molecular dynamics simulations are used to study the structure and dynamics of poly (vinyl
alcohol) and water in aqueous solution as a function of concentration at different …

Molecular Simulation Study of the Kinetics and Mechanism of Micellization of Charged and Uncharged Block Copolymer in Aqueous Solution: Polystyrene-Block-Poly …

R Chockalingam, U Natarajan - Journal of Macromolecular …, 2024 - Taylor & Francis
The micellization kinetics, dynamics, and diffusional properties of poly (styrene)-block-poly
(acrylic acid) copolymer chains in salt-free aqueous solution have been investigated as a …