Polar interactions of chondroitinsulfate

Wiegel, D; Kaufmann, Jörn; Arnold, Klaus

doi:10.1016/s0927-7765(98)00115-5

Cited by 7 publications

(6 citation statements)

References 39 publications

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“…35 Specifically, the intermolecular hydrogen bonds between Ocarboxymethylchitosan (OC) and alginate has been experimentally shown in the previous study by Fan L. et al 38 Hydrogen bonding also occurs in CS-A-based materials. 39,40 On the basis of our previous study, we postulated that alginate (Figure 1c) is compatible with OC and CS-A, because they are all polysaccharides. The SWNT-reinforced hydrogel using OC and CS-A as a dispersant can not only, because of their biocompatibility, improve its mechanical and electrical properties but also could be a good candidate for biomedical applications, such as implantable electrodes and biofuel cells, where biocompatibility plays a major role in the device performance.…”

Section: Introductionmentioning

confidence: 84%

Finely Dispersed Single-Walled Carbon Nanotubes for Polysaccharide Hydrogels

Yan

Chen

Kim

et al. 2012

ACS Appl. Mater. Interfaces

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Here we demonstrate a polysaccharide hydrogel reinforced with finely dispersed single-walled carbon nanotubes (SWNTs) using biocompatible dispersants O-carboxymethylchitosan (OC) and chondroitin sulfate A (CS-A) as a structural support. Both of the dispersants can disperse SWNTs in aqueous solutions and hydrogel matrix as individual tubes or small bundles. Additionally, we have found that compressive modulus and strain of the hydrogels reinforced with SWNTs were enhanced as much as two times by the addition of a few weight percent of SWNTs. Moreover, the SWNT-incorporated hydrogels exhibited lower impedance and higher charge capacity than the alginate/dispersant hydrogel without SWNTs. The OC and the CS-A demonstrated much higher reinforcing enhancement than a commercially available dispersant, sodium dodecyl sulfate. Combined with the experimental data on the mechanical and electrical properties, the biocompatibility of OC and CS-A can provide the possibility of biomedical application of the SWNT-reinforced hydrogels.

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Section: Introductionmentioning

confidence: 84%

Finely Dispersed Single-Walled Carbon Nanotubes for Polysaccharide Hydrogels

Yan

Chen

Kim

et al. 2012

ACS Appl. Mater. Interfaces

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“…Interestingly, the orientation of CH group(s) may be the reason for forming a hydrophobic subdomain for C6S chain, which helps form helical secondary structures. 120,184 MD simulations of CS-A also showed similar results using the pair distribution function and interaction energies. 121 The average number and lifetimes of resident water molecules around the polar atoms of CS-A were measured (Figure 8j-l).…”

Section: Pair Distribution Function and Cs Studiesmentioning

confidence: 53%

“…QUANTA/CHARMM charges were assigned to atoms and input topologies were generated to perform a 4 ns MD in TIP3P water box. 120 Kaufmann et al 121 have also performed a 4 ns MD simulation of a CS-A tetrasaccharide (chondroitin-4-sulfate, which included initial structure reoptimization using the sulfate group charges from Lamba et al . 142 To understand the solvent conformational preferences of CS and DS unsulfated tetrasaccharides, an explicit water MD study has been performed.…”

Section: Simulations Involving the Charmm Force Field In Charmmmentioning

confidence: 99%

“…Wiegel et al 120 analyzed the pair distribution function for OH, OSO 3 − and CH 3 atoms towards the oxygen atom of water molecules in MD simulations of CS-C (Figure 8d-h). The results showed a characteristic sharp peak at 2.7 Å for oxygens of water around the OH group of CS-C corresponding to the intermolecular O HÁ Á ÁO W H-bond (Figure 8f ).…”

Section: Pair Distribution Function and Cs Studiesmentioning

confidence: 99%

“…(d) Shows the structured water molecule around 1-4 linked CS-C (from A-D only oxygen atom of water alone shown for better visibility). (e)-(h) shows the radial distribution of water in CS-C with respect to bulk water-water, hydroxyl groupwater, CH-water120 . (i) schematic representation of water mediated H-bond interaction.…”

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confidence: 99%

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Perspective on computational simulations of glycosaminoglycans

Nagarajan

Sankaranarayanan

Desai

2018

WIREs Comput Mol Sci

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Glycosaminoglycans (GAGs) represent a formidable frontier for chemists, biochemists, biologists, medicinal chemists, and drug delivery specialists because of massive structural complexity. GAGs are arguably the most complex, natural linear biopolymers with theoretical diversity orders of magnitude higher than proteins and nucleic acids. Yet, this diversity remains generally untapped. Computational approaches offer major routes to understand GAG structure and dynamics so as to enable novel applications of these biopolymers. In fact, computational algorithms, softwares, online tools, and techniques have reached a level of sophistication that help understand atomistic details of conformational variation and protein recognition of individual GAG sequences. This review describes current approaches and challenges in computational study of GAGs. It presents a history of major findings since the earliest mention of GAGs (the 1960s), the development of parameters and force fields specific for GAGs, and the application of these tools in understanding GAG structure–function relationship. This review also presents a section on how to perform simulation of GAGs, which is directed toward researchers interested in entering this promising field with potential to impact therapy. This article is categorized under: Structure and Mechanism > Computational Biochemistry and Biophysics Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods Structure and Mechanism > Molecular Structures

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NanoImprint Lithography

Landis¹

2013

Nano‐Lithography

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Polar interactions of chondroitinsulfate

Cited by 7 publications

References 39 publications

Finely Dispersed Single-Walled Carbon Nanotubes for Polysaccharide Hydrogels

Finely Dispersed Single-Walled Carbon Nanotubes for Polysaccharide Hydrogels

Perspective on computational simulations of glycosaminoglycans

NanoImprint Lithography

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