@article {42665, title = {Self- assembly of isomannide-based monoesters of C18-fatty acids and their cellular uptake studies}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {JUL}, pages = { 72074-72079}, type = {Article}, abstract = {

The self-assembling behavior of oleic, elaidic and stearic acid-isomannide glycolipids is revealed. Amongst these, oleic and elaidic acid-based isomannide lipids self-assembled to form microspheres which were efficiently taken up by cancer cell lines enabling their usage for drug delivery applications.

}, issn = {2046-2069}, doi = {10.1039/C6RA05608C}, author = {Dhasaiyan, Prabhu and Parekh, Nimisha and Reddy, T. Vijai Kumar and Rani, G. Sandhya and Devi, B. L. A. Prabhavathi and Bhagavatula L. V. Prasad} } @article { ISI:000375723900014, title = {Structural insight into self assembly of sophorolipids: a molecular dynamics simulation study}, journal = {Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry \& Chemical Physics}, volume = {230}, number = {5-7, SI}, year = {2016}, month = {MAY}, pages = {819-836}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

Sophorolipids contain hydrophilic head groups at the ends of a long hydrophobic tail. As a result, sophorolipids can self assemble into variety of structures in water. Atomistic self assembly simulations of sophorolipids are performed in water. Two sophorolipids, oleic acid sophorolipid and linolenic acid sophorolipid, differing in number of double bonds in the hydrophobic tail are considered for this study. Long time self assembly simulations are performed considering 1 :3 lipid to water ratio by weight for both oleic and linolenic acid sophorolipids. In addition to 1 : 3 ratio, long time self assembly simulations are also performed with 1 : 1 and 1 : 2 ratios for linolenic acid sophorolipids. Distinctions in structural arrangements of sophorolipid molecules in the self assembled configuration for all the systems are investigated. The present study aims to provide structural insight into the different self assembled configurations of sophorolipids in water.

}, keywords = {MD Simulation, self assembly, sophorolipids, United Atom Force Field}, issn = {0942-9352}, doi = {10.1515/zpch-2015-0719}, author = {Pandey, Prithvi Raj and Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad and Roy, Sudip} } @article {42660, title = {Self - assemblies of bolaamphiphilic molecules}, journal = {Chemical Record}, volume = {17}, year = {2017}, month = {NOV}, pages = {1-15}, type = {Article}, chapter = {597-610}, abstract = {

The current buzzword in science and technology is self-assembly and molecular self-assembly is one of the most prominent fields as far as research in chemical and biological sciences is concerned. Generally, self-assembly of molecules occurs through weak non-covalent interactions like hydrogen bonding, π{\textendash}π stacking, hydrophobic effects, etc. Inspired by many natural systems consisting of self-assembled structures, scientists have been trying to understand their formation and mimic such processes in the laboratory to create functional {\textquotedblleft}smart{\textquotedblright} materials, which respond to temperature, light, pH, electromagnetic field, mechanical stress, and/or chemical stimuli. These responses are usually manifested as remarkable changes from the molecular (e. g., conformational state, hierarchical order) to the macroscopic level (e. g., shape, surface properties). Many molecules such as peptides, viruses, and surfactants are known to self-assemble into different structures. Among them, glycolipids are the new entries in the area of molecules that are being investigated for their self-assembly characteristics. Among the different classes of glycolipids like rhamnolipids and trehalose lipids, owing to their biological preparations and their structural novelty, sophorolipids (SLs) are evoking greater interest among researchers. Sophorolipids are a class of asymmetric bolas bearing COOH groups at one end and sophorose (dimeric glucose linked by an unusual β(1{\textrightarrow}2) linkage). The extreme membrane stability of Archaea, attributed to the membrane-spanning bolas (tetraether glycolipids), has inspired chemists to unravel the molecular designs that underpin the self-assembly of bolaamphiphilic molecules. Apart from these self-assembled structures, bolaamphiphiles find applications in many fields such as drug delivery, membrane mimicking, siRNA therapies, etc. The first part of this Personal Account presents some possible self-assembled structures of bolaamphiphiles and their mechanism of formation. The later part covers our work on one of the typical bolaamphiphiles known as sophorolipids.

}, keywords = {Bolaamphiphiles; gels; self-assembly; sophorolipids; vesicles}, issn = {1527-8999}, doi = {10.1002/tcr.201600085}, author = {Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad} }