The interaction of hyaluronic acid and graphene tuned by functional groups: A density functional study

Hyaluronic Acid-Conjugated Carbon Nanomaterials for Enhanced Tumour Targeting Ability

“…Effective interactions between HA and various CNMs have been hypothesised, and phospholipid structures have been used to overcome the highly hydrophilic and hydrophobic nature of HA and CNMs, respectively. Regarding graphene, computational calculations predicted that CH–π and OH–π interactions are formed primarily between HA and unmodified graphene [ 59 ]. On the other hand, there are a large number of OH–O and NH–O interactions between HA and GO, as HA is a hydrophilic molecule.…”

“…For biomedical applications where a moderate interaction strength could be required, tailoring interactions between biomolecules and graphene is the best option [ 60 , 61 ]. Wang et al [ 59 ] detailed various possibilities and strengths of interactions and suggested that graphene functionalised with OH, COOH, O-containing, N-containing, or NO-containing groups would be appropriate for a moderate interaction strength. Such modifications could be implemented to improve the biomedical application of GO-conjugated HA.…”

Unveiling the organic acids with auxiliary functional groups effect on α‐hemihydrate gypsum: Ab initio calculations

“…Mulliken charge population analysis is used to examine the charge transfer of organic acid additive molecules between the α-HH surface. 45 Negative values represent electron gain, while positive values represent electron loss.…”

“…In the formula, where $${\rho _{OA/surface}}$$ is the total charge density of the α‐HH surface after organic acid adsorption, $${\rho _{surface}}$$ is the charge density of the α‐HH surface, and $${\rho _{OA}}$$ is the charge density of the isolated organic acid molecule. Mulliken charge population analysis is used to examine the charge transfer of organic acid additive molecules between the α‐HH surface 45 . Negative values represent electron gain, while positive values represent electron loss.…”

Looking beyond biology: glycosaminoglycans as attractive platforms for energy devices and flexible electronics

“…[270][271][272]316,408,412 Computational work performed on HA/graphene interactions indicates that these functions seem to depend on C-HÁ Á Áp and O-HÁ Á Áp interactions between HA and graphene moieties, while interactions with GO rely mostly on the functional groups present on the graphene surface. 413 As far as conductivity studies are concerned, GO 316,408 and rGO, [270][271][272]331,412,414 have been the most popular choices, notwithstanding reports with graphene 408 and sulphonated graphene 415 also being known. The available conductivity data in the literature for these systems points to values in the range of 10 À3 to 10 1 mS cm À1 (Tables 9, 10 and Fig.…”