@article { ISI:000335773800005,
	title = {Vesicle structures from bolaamphiphilic biosurfactants: experimental and molecular dynamics simulation studies on the effect of unsaturation on sophorolipid self-assemblies},
	journal = {Chemistry-A European Journal},
	volume = {20},
	number = {21},
	year = {2014},
	month = {MAY},
	pages = {6246-6250},
	publisher = {WILEY-V C H VERLAG GMBH},
	address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY},
	abstract = {<p>The formation of giant-vesicle-like structures by self-assembling linolenic acid sophorolipid (LNSL) molecules is revealed. Sophorolipids belong to the class of bolaamphiphilic glycolipid biosurfactants. Interestingly, the number of double bonds present in the hydrophobic core of sophorolipids is seen to have a great influence on the type of self-assembled structures formed. Dye encapsulation results establish the presence of an aqueous compartment inside the LNSL vesicles. Molecular dynamics simulation (MD) studies suggest the existence of two possible conformations of LNSLs inside the self-assembled structures and that LNSL molecules arrange in layered structures.</p>},
	keywords = {bolaamphiphiles, MD simulations, Self-assembly, sophorolipids, vesicles},
	issn = {0947-6539},
	doi = {10.1002/chem.201304719},
	author = {Dhasaiyan, Prabhu and Pandey, Prithvi Raj and Visaveliya, Nikunjkumar and Roy, Sudip 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 = {<p>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.</p>},
	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}
}
