Molecular dynamics simulation was performed on sugar profile and moisture content-based mixture systems of six Indian honey samples. Comparative studies were performed to understand the interactive effects of fructose, glucose, sucrose, maltose and w...
Journal of chemical information and modeling
May 22, 2019
Traditionally, chemists have relied on years of training and accumulated experience in order to discover new molecules. But the space of possible molecules is so vast that only a limited exploration with the traditional methods can be ever possible. ...
Proceedings of the National Academy of Sciences of the United States of America
Dec 7, 2018
Antifreeze proteins (AFPs) are a diverse class of proteins that depress the kinetically observable freezing point of water. AFPs have been of scientific interest for decades, but the lack of an accurate model for predicting AFP activity has hindered ...
Langmuir : the ACS journal of surfaces and colloids
Aug 9, 2018
Crystal morphology is one of the key crystallographic characteristics that governs the macroscopic properties of crystalline materials. The identification of crystal faces, or face indexing, is an important technique that is used to get information r...
The Machine Recognition of Crystallization Outcomes (MARCO) initiative has assembled roughly half a million annotated images of macromolecular crystallization experiments from various sources and setups. Here, state-of-the-art machine learning algori...
Journal of pharmaceutical and biomedical analysis
Jun 4, 2018
The present work describes the development of an efficient, fast and accurate method for the quantification of polymer-based cocrystal formulations. Specifically, the content of carbamazepine-nicotinamide (CBZ/NIC) and ibuprofen-nicotinamide (IBU/NIC...
Neuromorphic or "brain-like" computation is a leading candidate for efficient, fault-tolerant processing of large-scale data as well as real-time sensing and transduction of complex multivariate systems and networks such as self-driving vehicles or I...
PURPOSE: The use of soluble cocrystals is a promising strategy for delivering poorly soluble drugs. However, precipitation of poorly soluble crystal form during dissolution hinders the successful tablet development of cocrystals. This work was aimed ...
The conventional process of lactose crystallization is prolonged, hardly controllable and the crystals have low quality. In this work, the effect of ultrasound on the crystallization of lactose in an aqueous system was assessed. Additionally, it was ...
In this article, we introduced an artificial neural network (ANN) based computational model to predict the output power of three types of photovoltaic cells, mono-crystalline (mono-), multi-crystalline (multi-), and amorphous (amor-) crystalline. The...
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