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Graph Dynamical Networks for Unsupervised Learning of Atomic Scale Dynamics i...
Understanding the dynamical processes that govern the performance of functional materials is essential for the design of next generation materials to tackle global energy and... -
HTA - An open-source software for assigning heads and tails to SMILES in poly...
Polymers are versatile materials with a wide range of applications. The improvement of polymer properties rises the importance on the way that the repeating units are connected... -
HTA - An open-source software for assigning heads and tails to SMILES in poly...
Polymers are versatile materials with a wide range of applications. The improvement of polymer properties rises the importance on the way that the repeating units are connected... -
Computational optimization of a drafter for spunbonding polymeric filaments
This study presents a computational model to enhance the spunbonding drafter's performance. The existing design exhibits a significant risk of fiber breakage. To address this... -
Double helix PBDT polymer - Submitted manuscript, simulations and other sourc...
We describe a double helical conformation in the densely charged aromatic polyamide poly(2,2'- disulfonyl-4,4'-benzidine terephthalamide) or PBDT. This double helix... -
Polymer descriptor data set for machine learning prediction of specific heat
We have developed a polymer descriptor data set from the existing data. The data set has 188 descriptors which describe polymer atomic and molecular behavior. The descriptors... -
Polymer descriptor data set for machine learning prediction of specific heat
We have developed a polymer descriptor data set from the existing data. The data set has 188 descriptors which describe polymer atomic and molecular behavior. The descriptors... -
General data of full scale composting experiment
This dataset contains general information about the full scale composting experiment: coordinates of the composting site, description of the compostable materials, short... -
The effect of polymer therapeutics on the structure of mucin solutions toward...
Progress in the development of nano-sized hybrid therapeutics and nano-sized drug delivery systems - "nanomedicines" - over the last decade has been remarkable. One key... -
pH-Sensitive Dendrimers
Dendrimers are nanosized macromolecules with hyperbranched structures that are capable of loading all kinds of active agents for biodelivery. They are monodisperse in terms of... -
INS of ovel water-soluble organometallic gels
INS of ovel water-soluble organometallic gels -
Commissioning of electrochemical cell for neutron scattering: In-situ study o...
There is an urgent need for to provide energy storage solutions in order for the world to switch form it's reliance on fossil fuels to renewable energy. This will allow us to... -
Effect of terminal blocking groups on solution aggregation of short peptide f...
Short peptide sequences such as KLVFFAE form well defined beta sheet structures. Their further templating through hydrophobic interactions and hydrogen bonding is the principal... -
Determining the membrane binding structure of drug-delivery polymers
This proposal seeks to investigate a class of synthetic membrane-active biopolymers which have been developed as potential drug-delivery agents. These polymers have shown pH-... -
Non-equilibrium kinetics in highly interacting polymer mixtures
We seek to investigate the non-equilibrium phenomena of a model polymer mixture by time-solved SANS and temperature jump experiments within (a) one-phase region and (b) one to... -
QENS study of proton conducting coordination polymer
This dataset has no description
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Conformational Evaluation of Biodegradable Model Polymer-Drug Conjugates
Previous SANS studies of anti-cancer polymer-drug conjugates (PDCs) (HPMA-Doxorubicin) identified a correlation between conjugate solution conformation and clinical results. The... -
Compatibilisation of polymer blends using electrospinning
This proposal seachs time to establish the conditions under which electrospinning can be used to provide (non-equilibrium) mixtures of immiscible polymers. Such an outcome might... -
Vibrational proton dynamics in a Ga[GaH3]4 clusterion through incoherent inel...
An unprecedented Ga[GaH3]4 clusterion, with the neopentane structure, has been found in the solid state hydrides Rb8Ga5H15 and Cs8Ga5H15. This is the first gallium-hydrido... -
Encapsulation of hydrophobic species in mixed micelles in polymer solutions
This proposal continues our investigations into film-forming polyelectrolyte-surfactant solutions. We have found that mixed micelle systems offer greater control over micelle...
