Modeling chromium sulfate complexes in relation to chromium tannage in leather technology: a computational study

Imer, Sinan; Varnali, Tereza

doi:10.1002/1099-0739(200010)14:10<660::aid-aoc55>3.0.co;2-p

Cited by 11 publications

(5 citation statements)

References 5 publications

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“…low-molecular weight chromium binding substance 'LMWCr', or as recently termed 'chromodulin', isolated from mammals [22][23][24][25] and iii. the collagen-binding chromium species in the tanning process [26][27][28].…”

Section: Introductionmentioning

confidence: 99%

Structural and magnetic studies on mono- and polynuclear chromium ascorbate complexes

Zümreoǧlu‐Karan

Ünaleroğlu

et al. 2005

Transition Met Chem

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Polynuclear chromium ascorbate complexes were isolated and physicochemically analyzed in a comparative manner with their mononuclear analog (1). Characterization by elemental analysis, electronic, vibrational, 13 C-n.m.r and mass spectroscopies, and variable temperature magnetic susceptibility studies, allowed structural proposals for the binuclear, [Cr 2 (l-OH) 2 (H 2 O)(C 6 H 7 O 6 ) 3 (OH)] AE 4H 2 O (2), and trinuclear, [Cr 3 (l-O) 3 (H 2 O) 6 (C 6 H 7 O 6 ) 3 ] AE 4 H 2 O (3) complexes. The pseudo-octahedral Cr III centers were suggested to be connected through hydroxo bridges in (2) and in (3) by oxo bridges forming a hexocyclic ring.

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Section: Introductionmentioning

confidence: 99%

Structural and magnetic studies on mono- and polynuclear chromium ascorbate complexes

Zümreoǧlu‐Karan

Ünaleroğlu

et al. 2005

Transition Met Chem

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“…The temperature was maintained at 303 K. Chloride ions (Cl − ) were added to neutralize the systems. Generally, the proposed chrome-tanning process includes three steps [26,27]: (i) trivalent chromium(III) salts were first dissolved into water to form the hexaaquachromium(III) cationic complex, [Cr(H 2 O) 6 ] 3+ ; (ii) these cationic complexes underwent an olation process to form polynuclear compounds,…”

Section: Polychromiummentioning

confidence: 99%

Application of molecular simulation to investigate chrome(III)-crosslinked collagen problems

Ding

Chen

et al. 2014

Modelling Simul. Mater. Sci. Eng.

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Molecular dynamics simulation with a modified CHARMM (Chemistry at Harvard Macromolecular Mechanics) force field was carried out to investigate the properties of chrome-tanned collagen in comparison with chrome-free collagen under hydrated and dehydrated conditions. An attempt has been made to explain the microcosmic origins of the various properties of the chromium(III)-crosslinked collagen. The present simulation describes the clear crosslinking topology of polychromiums to peptide chains, identifies the linking site and the capacity of the linkage, explains why the efficiency is not 100% in a practical tanning process and provides a new viewpoint on the crosslinking of the polychromium with the side chains of the collagen.

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“…increasing attention. Considerable data (5) from previous studies has been directed toward the explanation of chromium-tanning mechanisms, which lays a foundation for future research. Since Bjerrum (6) put forward the hydroxyl-bridge mode of chrome salts in tanning liquor, the chromium-olation model has been widely accepted.…”

Section: Introductionmentioning

confidence: 99%

Effects of Chromium-olation Length on Crosslinking Effects Investigated by Molecular Dynamics Simulation

Ding

Chen

et al. 2015

Soft Materials

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In this article, the attempt has been made to study the effect of chromium-olation length on the properties of the chrome-cross-linked collagen by molecular dynamics simulation with modified CHARMM force field. The results indicated that the advantage of the chromium tanning agents depend not only on their unique olation structures, but also on their various olation lengths coexisting in the tanning environment. Short chromium-olation complexes predominantly strengthen the conformation stability within the triple helix. Medium chromium-olation complexes may stabilize the cross-linked systems by an effective optimization of the nonbonding interaction. Long chromium-olation length favors the cross-linking between the collagen bundles far from each other, but is easy to cause the divorce of the individual peptide chain from its parent triple helix. Accordingly, the application of mixed cross-linking agents suggests variations in size within a reasonable range should provide greater effects than single-length ones.

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Modeling chromium sulfate complexes in relation to chromium tannage in leather technology: a computational study

Abstract: Structures that may lead to polynuclear chromium complexes to cross-link the collagen fibrils in chromium tanning processes are modeled. Pathways are suggested to the olation reaction. The role of sulfate as a facilitator has been demonstrated.

Cited by 11 publications

References 5 publications

Structural and magnetic studies on mono- and polynuclear chromium ascorbate complexes

Structural and magnetic studies on mono- and polynuclear chromium ascorbate complexes

Application of molecular simulation to investigate chrome(III)-crosslinked collagen problems

Effects of Chromium-olation Length on Crosslinking Effects Investigated by Molecular Dynamics Simulation

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