Molecular structure of dextran sulphate sodium in aqueous environment

Abstract

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Amylase-Sensitive Polymeric Nanoparticles Based on Dextran Sulfate and Doxorubicin with Anticoagulant Activity

“…Dextran-sulphate and similar polysaccharides are quite water soluble. In a study by Yu et al [45], data on a theoretical study of the molecular structure of sodium dextran sulfate in aqueous solutions, using the Merck Molecular Force Field method, were published. The authors found that various dextran sulfate oligomers in aqueous solutions were strongly solvated and existed in the form of spirals.…”

Formulation and Efficacy of Catalase-Loaded Nanoparticles for the Treatment of Neonatal Hypoxic-Ischemic Encephalopathy

“…GLYCAM-06j-1 forcefield [ 30 ] was used for DS topological parameters and the general amber forcefield (GAFF) [ 31 , 32 ] was used for SDS and TA topological parameters. An α-1,6 linked dodecamer was simulated for the BSA/DS simulations, due to its experimental molecular weight and high percentage of α-1,6 linkages [ 33 ]. Partial atomic charges for each IP agent were ascertained through the residual electrostatic potential fitting method [ 34 ], using the Hartree–Fock level with the 6–31G* basis set in Gaussian 0 9 [ 35 ].…”

Nanoparticles Incorporating a Fluorescence Turn-on Reporter for Real-Time Drug Release Monitoring, a Chemoenhancer and a Stealth Agent: Poseidon’s Trident against Cancer?

“…95%) with occasional branching occurring as 1,2-, 1,3-, and 1,4-linkages. The glucose residues are mainly disulfated: 2,3-disulfonation is most common, while 3,4- and 2,4-disulfonation occur relatively at lower proportions. , DS was modeled using Glycan Reader and Modeler. − DS was modeled as a linear decamer of α-1,6-linked d -glucose , with 2,3-disulfonation at all residues except 2,4-disulfonation at residue 3 and 3,4-disulfonation at residue 6.…”

“…72,73 DS was modeled using Glycan Reader and Modeler. 74−76 DS was modeled as a linear decamer of α-1,6linked D-glucose 72,73 with 2,3-disulfonation at all residues except 2,4-disulfonation at residue 3 and 3,4-disulfonation at residue 6.…”