Molecular design and engineering of biomimetic, bioinspired and biologically derived materials
Guest Editors Arthi Jayaraman and Amish Patel introduce this themed collection of papers showcasing the latest research on the molecular design and engineering of bioinspired, biological and/or biomimetic materials.
Potentiating anti-cancer chemotherapeutics and antimicrobials via sugar-mediated strategies
This article reviews the design considerations behind sugar-mediated strategies for potentiating the efficacy of drugs/photosensitizers in cancer treatment, and antimicrobials.
Modeling of stimuli-responsive nanoreactors: rational rate control towards the design of colloidal enzymes
Responsive polymer-based nanoreactors exhibit complex structure-property-function relationships which require multi-scale modeling and simulation approaches for optimal design and a further development towards 'colloidal enzymes'.
Surface Forces and Stratification in Foam Films Formed with Bile Salts
Influence of immobilized cations on the thermodynamic signature of hydrophobic interactions at chemically heterogeneous surfaces
Hydrophobic interactions play a central role in bioinspired strategies for molecular self-assembly in water, yet how these interactions are encoded by chemically heterogeneous interfaces is poorly understood.
Predicting selectivity of paracellular pores for biomimetic applications
Systematic approach to predicting selectivity of paracellular pores for biomimetic applications.
Development of transferable coarse-grained models of amino acids
We have developed transferable coarse-grained (CG) models of the twenty standard amino acids, which can be used to perform molecular dynamics (MD) simulations of peptide amphiphiles (PAs) in the presence of explicit solvent.
Effect of polymer–nanoparticle interactions on solvent-driven infiltration of polymer (SIP) into nanoparticle packings: a molecular dynamics study
Dynamics of polymer motion into solvent-filled interstices of nanoparticle packings can be controlled by tuning the polymer–nanoparticle interactions, whose effect on the rate of infiltration is non-monotonic as shown by MD simulations.
Impact of glutamate carboxylation in the adsorption of the α-1 domain of osteocalcin to hydroxyapatite and titania
Post-translational glutamate carboxylation in osteocalcin leads to changes in structural and thermodynamic behavior on titania and hydroxyapatite.
Emergence of non-monotonic deep cavity cavitand assembly with increasing portal methylation
Using molecular simulations, we examine the emergence of non-monotonic deep-cavity cavitand assembly patterns into monomeric and dimeric complexes with alkanes of increasing length.
Kinetically controlled morphology in copolymer-based hydrogels crosslinked by crystalline nanodomains determines efficacy of ice inhibition
Zone annealing crystalline cross-linked hydrogels manipulates the nanostructure that controls anti-icing performance.
Sequence-dependent self-coacervation in high charge-density polyampholytes
Experiment and theory show how charge monomer sequence can be used to control self-coacervation in blocky polyampholytes.
About this collection
Guest Editors: Professor Arthi Jayaraman (University of Delaware) and Professor Amish Patel (University of Pennsylvania)
This collection of papers showcases recent innovative, creative and cutting edge work using experimental, theoretical and/or computational techniques aimed at molecular design and engineering of bioinspired, biological and/or biomimetic materials. This includes understanding molecular-level interactions and phase behaviour to inspire the design of new biomaterials, and engineering of functional biomedical/biological devices based on molecular design principles.