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{
"count": 25,
"next": null,
"previous": "http://glycodata.org/api/gdd/polymer-carbohydrate-conjugates/?format=api",
"results": [
{
"id": 21,
"conjugate": "sodium alginate-citral microcapsule",
"polymer": "citral (essential oil core)",
"carbohydrate": "sodium alginate (wall material)",
"method": "Simulation",
"shape": "spherical core-shell microcapsule",
"size": "CG bead model (2 N3 + 1 S + 1 O3 beads per Alg)",
"conditions": "DPD, aqueous",
"conditions_detail": "Dissipative particle dynamics CG model; alginate as single-wall material forming spherical core-shell encapsulating citral",
"doi": "10.3390/polym17050678",
"comments": "Alg-citral forms a spherical core-shell structure encapsulating citral in a hydrophobic inner layer. (confidence: high)"
},
{
"id": 22,
"conjugate": "butanoyl-modified chitosan hydrogel",
"polymer": "butanoyl (C4 acyl) modification",
"carbohydrate": "chitosan",
"method": "Simulation",
"shape": "micelle-like clusters / cluster-channel network",
"size": "pores 4.0-6.0 nm; hydrophobic domains ~1-1.5 nm; end-to-end 5.6 nm",
"conditions": "multiscale coarse-grained MD, aqueous",
"conditions_detail": "Multiscale coarse-graining (force matching) + Boltzmann inversion; reference all-atom GLYCAM06/TIP5P",
"doi": "10.1039/D0SM01243B",
"comments": "networks transition from homogeneous to cluster/channel morphology with dense micelle-like structures of butanoyl clusters surrounded by chitosan backbones. (confidence: high)"
},
{
"id": 23,
"conjugate": "acetyl-modified chitosan hydrogel",
"polymer": "acetyl modification",
"carbohydrate": "chitosan",
"method": "Simulation",
"shape": "uniform homogeneous network",
"size": "pores 1.0-1.5 nm; end-to-end 14.4 nm",
"conditions": "multiscale coarse-grained MD, aqueous",
"conditions_detail": "Multiscale coarse-grained (force-matching) MD; reference GLYCAM06/TIP5P; uniform network",
"doi": "10.1039/D0SM01243B",
"comments": "Acetyl-chitosan forms uniform networks where chains remain evenly distributed throughout the simulation box. (confidence: high)"
},
{
"id": 24,
"conjugate": "chitin fibril (fully acetylated chitosan)",
"polymer": "acetyl (full acetylation)",
"carbohydrate": "chitin/chitosan",
"method": "Simulation",
"shape": "aligned fibrils/bundles",
"size": "end-to-end distance 20.4 nm",
"conditions": "multiscale coarse-grained MD, aqueous",
"conditions_detail": "Multiscale coarse-grained (force-matching) MD; fully acetylated chains form aligned fibril bundles",
"doi": "10.1039/D0SM01243B",
"comments": "Chitin (full acetylation) forms thick chitin fibrils consisting of bundles of aligned single chitin chains. (confidence: high)"
},
{
"id": 25,
"conjugate": "dexamethasone-grafted chitosan (CHI_DEX)",
"polymer": "dexamethasone (grafted hydrophobe)",
"carbohydrate": "chitosan (MW 10 kDa, 90% deacetylation)",
"method": "Simulation",
"shape": "polymeric micelle with hydrophobic microdomains",
"size": "not reported numerically",
"conditions": "all-atom MD, explicit water (TIP3P)",
"conditions_detail": "AMBER 12.0; GAFF; AM1-BCC charges; TIP3P; 300 K; 50 ns",
"doi": "10.1007/s11095-015-1750-y",
"comments": "CBPMs form hydrophobic microdomains spread among the lattice of chitosan chains rather than classic core-shell structures. (confidence: high)"
}
]
}