HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 32,
"next": null,
"previous": "http://glycodata.org/api/gdd/self-assembly/?format=api",
"results": [
{
"id": 21,
"system": "beta-dodecyl maltoside (beta-C12G2)",
"assembly_type": "micelle",
"size": "Rg = 25.1-26.4 A; Nagg = 132",
"metric": "radius of gyration, aggregation number, semi-axis ratio",
"method": "Simulation",
"conditions": "atomistic MD, 297 K, water",
"conditions_detail": "Atomistic MD; CHARMM-K/CHARMM-Opt/GLYCAM06; preassembled micelle of 132 monomers; ellipsoidal, axis ratio ~1.38-1.43",
"doi": "10.1021/jp109545v",
"comments": "Rg values are 26.4 A, 25.4 A and 25.1 A for beta-C12G2 across the three force fields. (confidence: high)"
},
{
"id": 22,
"system": "n-octyl-beta-D-glucopyranoside (octyl glucoside)",
"assembly_type": "micelle (prolate ellipsoid)",
"size": "prolate ellipsoid micelle (nonspherical)",
"metric": "micelle shape (prolate ellipsoid)",
"method": "Simulation",
"conditions": "atomistic MD, aqueous",
"conditions_detail": "Atomistic MD of octyl glucoside micelle in water; nonspherical, average prolate ellipsoid shape",
"doi": "10.1016/j.jmgm.2005.11.008",
"comments": "the average micelle shape calculated from both simulations is a prolate ellipsoid. (confidence: high)"
},
{
"id": 23,
"system": "octyl beta-D-glucoside (varying micelle size)",
"assembly_type": "micelle",
"size": "Nagg = 1,5,10,20,27,34,50,75 studied (>=10 stable)",
"metric": "aggregation number, micelle shape/surface",
"method": "Simulation",
"conditions": "atomistic MD, ~4 ns, water",
"conditions_detail": "Atomistic MD of micelles of varying size; 5-lipid micelles unstable, >=10 intact over 4 ns; nonspherical rough surfaces",
"doi": "10.1021/jp000159y",
"comments": "micelles of 5 lipids were unstable while those of 10 or more remained intact during the 4 ns simulations. (confidence: high)"
},
{
"id": 24,
"system": "dodecyl maltoside (MALTO12)",
"assembly_type": "micelle (spherical)",
"size": "Nagg = 33 (range 32-38)",
"metric": "aggregation number",
"method": "Simulation",
"conditions": "DPD coarse-grained, 5 wt% in water",
"conditions_detail": "DPD; parameters from SSIP/DFT molecular electrostatic potential surfaces; spherical micelles at 5 wt%",
"doi": "10.1021/acs.jpcb.1c00480",
"comments": "MALTO12 forms spherical micelles; Nagg = 33. (confidence: high)"
},
{
"id": 25,
"system": "dodecyl glucoside (GLUCO12)",
"assembly_type": "micelle (elongated/oblate)",
"size": "Nagg = 252 (range 139-435)",
"metric": "aggregation number",
"method": "Simulation",
"conditions": "DPD coarse-grained, 5 wt% in water",
"conditions_detail": "DPD; GLUCO12 forms elongated micelles with an oblate form at 5 wt%",
"doi": "10.1021/acs.jpcb.1c00480",
"comments": "elongated micelles with an oblate form; Nagg = 252. (confidence: high)"
},
{
"id": 26,
"system": "dodecyl xyloside (XYL12)",
"assembly_type": "rod-like / micelle",
"size": "Nagg = 75 (range 69-76)",
"metric": "aggregation number",
"method": "Simulation",
"conditions": "DPD coarse-grained, 5 wt% in water",
"conditions_detail": "DPD; alkyl xyloside XYL12 aggregates with Nagg = 75 at 5 wt%",
"doi": "10.1021/acs.jpcb.1c00480",
"comments": "XYL12 aggregates with Nagg = 75 (range 69-76). (confidence: medium)"
},
{
"id": 27,
"system": "dodecyl glycoside (GLY12)",
"assembly_type": "bilayer fragments",
"size": "Nagg = 659 (range 318-1439)",
"metric": "aggregation number",
"method": "Simulation",
"conditions": "DPD coarse-grained, 5 wt% in water",
"conditions_detail": "DPD; GLY12 forms fragments of bilayers at 5 wt%, large polydisperse Nagg",
"doi": "10.1021/acs.jpcb.1c00480",
"comments": "GLY12 forms fragments of bilayers; Nagg = 659. (confidence: medium)"
},
{
"id": 28,
"system": "MEGA-8 and HEGA-8 (N-methylglucamide sugar surfactants)",
"assembly_type": "micelle (small spherical)",
"size": "Nagg 15 (MEGA8), 18 (HEGA8); Nagg < 20",
"metric": "aggregation number",
"method": "Simulation",
"conditions": "DPD coarse-grained, 5 wt% in water",
"conditions_detail": "DPD; short-tail / large-head N-methylglucamide surfactants form the smallest aggregates",
"doi": "10.1021/acs.jpcb.1c00480",
"comments": "MEGA8 and HEGA8 form the smallest aggregates with Nagg less than 20. (confidence: high)"
},
{
"id": 29,
"system": "di-rhamnolipid dRha-C16-C16",
"assembly_type": "vesicle (unilamellar)",
"size": "unilamellar layer thickness ~3.2 nm",
"metric": "vesicle bilayer/layer thickness",
"method": "Simulation",
"conditions": "DPD mesoscale coarse-grained, aqueous",
"conditions_detail": "DPD mesoscopic simulation; CG force field from MD, COSMOtherm and experiment",
"doi": "10.1021/acs.jpcb.1c05802",
"comments": "dRha-C16-C16 forms vesicles with a thicker unilamellar layer of 3.2 nm. (confidence: high)"
},
{
"id": 30,
"system": "amphiphilic beta-cyclodextrin (thioethyl / EG-modified)",
"assembly_type": "aggregate / pre-micellar cluster (nucleation)",
"size": "Rg 8.51-10.09 A (2 molecules); Rg 13.43 A (4 molecules)",
"metric": "radius of gyration of aggregates / cluster size",
"method": "Simulation",
"conditions": "atomistic MD, 300 K, in water and in vacuo",
"conditions_detail": "Atomistic MD; CVFF force field; nucleation stage of amphiphilic beta-CD aggregation; prefers 3+1 aggregates",
"doi": "10.3762/bjoc.11.267",
"comments": "In water Rg = 8.51-10.09 A for the 2-molecule system and 13.43 A for the 4-molecule system; preferentially forms a 3+1 aggregate. (confidence: high)"
},
{
"id": 31,
"system": "polysorbate 80 (Tween 80, sorbitan-PEG ester)",
"assembly_type": "micelle (prolate ellipsoid)",
"size": "Rg = 26.2 A; physical radius ~35 A; Nagg = 60",
"metric": "radius of gyration, micelle radius, aggregation number",
"method": "Simulation",
"conditions": "atomistic MD, water",
"conditions_detail": "Atomistic MD of a 60-molecule polysorbate 80 micelle (experimental Nagg); compact prolate ellipsoid, POE-dominated surface",
"doi": "10.1039/c0sm00965b",
"comments": "the radius of gyration of the micelle was 26.2 A and the physical radius about 35 A; micelle of 60 polysorbate molecules. (confidence: high)"
},
{
"id": 32,
"system": "galactosylceramide (GalCer) / DPPG glycolipid bilayer",
"assembly_type": "bilayer (lamellar)",
"size": "area per GalCer lipid 0.608 nm^2; bilayer thickness 4.21 nm",
"metric": "area per lipid, bilayer thickness, deuterium order parameters",
"method": "Simulation",
"conditions": "atomistic MD, GROMOS96, 1024 lipids, 10 ns",
"conditions_detail": "Atomistic MD with GROMOS96 topologies; GalCer:DPPG 9:1 and 3:1 bilayers; validated against 2H NMR",
"doi": "10.1529/biophysj.104.054601",
"comments": "the surface area per GalCer lipid was 0.608 nm^2 and the bilayer thickness (P-P distance) was 4.21 nm. (confidence: high)"
}
]
}