Results 31 to 40 of about 526,180 (352)
Self-assembling prodrugs [PDF]
Covalent modification of therapeutic compounds is a clinically proven strategy to devise prodrugs with enhanced treatment efficacies. Self-assembly of prodrugs expands the functional space of conventional prodrug design, providing a possible pathway to more effective therapies.
Andrew G. Cheetham+3 more
openaire +3 more sources
Fabrication of Blood Capillary Models for Live Imaging Microarray Analysis
Conventional microarray analysis usually deals with the monolayer or two-dimensional (2D) assays for the high-throughput screening applications. Even though these cell-based assays are effective for preliminary screening at least to have information on ...
Muhammad Asri Abdul Sisak+4 more
doaj +1 more source
Crystallization of granular assemblies has broad implications for rapid and scalable creation of architected materials with applications ranging from structural materials to microarchitected battery electrodes.
Ivan Grega+3 more
doaj +1 more source
Modeling capsid self-assembly: Design and analysis [PDF]
A series of simulations aimed at elucidating the self-assembly dynamics of spherical virus capsids is described. This little-understood phenomenon is a fascinating example of the complex processes that occur in the simplest of organisms. The fact that different viruses adopt similar structural forms is an indication of a common underlying design ...
arxiv +1 more source
Coarse-grained simulation of amphiphilic self-assembly [PDF]
We present a computer simulation study of amphiphilic self assembly performed using a computationally efficient single-site model based on Gay-Berne and Lennard-Jones particles. Molecular dynamics simulations of these systems show that free self-assembly
Allen M. P.+5 more
core +1 more source
The atomic structure of heterogeneous catalysts is usually a blackbox. Here the authors demonstrate large-scale machine learning atomic simulations help to resolve the catalyst structure and reaction mechanism of encapsulated PtSnO x clusters in zeolite ...
Sicong Ma, Zhi-Pan Liu
doaj +1 more source
Optimized Interactions for Targeted Self-Assembly: Application to Honeycomb Lattice [PDF]
We devise an inverse statistical-mechanical methodology to find optimized interaction potentials that lead spontaneously to a target many-particle configuration. Target structures can possess varying degrees of disorder, thus extending the traditional idea of self-assembly to incorporate both amorphous and crystalline structures as well as ...
arxiv +1 more source
The Statistical Mechanics of Dynamic Pathways to Self-assembly
We describe some of the important physical characteristics of the `pathways', i.e. dynamical processes, by which molecular, nanoscale and micron-scale self-assembly occurs.
Jack, Robert L., Whitelam, Stephen
core +1 more source
Freezing-induced self-assembly of amphiphilic molecules [PDF]
The self-assembly of amphiphilic molecules usually takes place in a liquid phase, near room temperature. Here, using small angle X-ray scattering (SAXS) experiments performed in real time, we show that freezing of aqueous solutions of copolymer ...
Albouy, P. A.+8 more
core +1 more source
Self-assembly of self-assembled molecular triangles
A rare variety of self-assembled molecular triangle [Pd3(bpy)3(imidazolate)3](NO3)3, 1 is prepared by the combination of Pd(bpy)(NO3)2 with imidazole, at 1:1 ratio, in acetonitrile-water. Deprotonation of imidazole happened during the course of the complexation reaction where upon the metallomacrocycle is formed. The bowl-shaped trinuclear architecture
Venkatachalam Ramkumar+2 more
openaire +3 more sources