{"count":25,"next":null,"previous":"http://glycodata.org/api/gdd/polymer-carbohydrate-conjugates/?format=json","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)"}]}