Conformations and vibrational properties of disulfide bridges: Potential energy distribution in the model system diethyl disulfide

Ackermann, Katrin; Koster, J.; Schlücker, Sebastian

doi:10.1016/j.chemphys.2008.11.008

Cited by 23 publications

(20 citation statements)

References 21 publications

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“…Raman spectroscopy (Figure b) provides significant structural insight into the materials, both in the pristine state and at different states of charge. The pristine disulfide powder displays a strong disulfide peak at 480 cm −1 , assigned from previous literature . Also seen is a strong aromatic C−S mode at 1050 cm −1 , as well as an aromatic C−C mode at 1450 cm −1 (Figure b).…”

Section: Methodssupporting

confidence: 62%

High Sulfur Content Material with Stable Cycling in Lithium‐Sulfur Batteries

et al. 2017

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We demonstrate a novel crosslinked disulfide system as a cathode material for Li‐S cells that is designed with the two criteria of having only a single point of S−S scission and maximizing the ratio of S−S to the electrochemically inactive framework. The material therefore maximizes theoretical capacity while inhibiting the formation of polysulfide intermediates that lead to parasitic shuttle. The material we report contains a 1:1 ratio of S:C with a theoretical capacity of 609 mAh g−1. The cell gains capacity through 100 cycles and has 98 % capacity retention thereafter through 200 cycles, demonstrating stable, long‐term cycling. Raman spectroscopy confirms the proposed mechanism of disulfide bonds breaking to form a S−Li thiolate species upon discharge and reforming upon charge. Coulombic efficiencies near 100 % for every cycle, suggesting the suppression of polysulfide shuttle through the molecular design.

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Section: Methodssupporting

confidence: 62%

High Sulfur Content Material with Stable Cycling in Lithium‐Sulfur Batteries

et al. 2017

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“…Because of its extreme simplicity, this Raman‐based conformational rule has received a great attention, not only for analyzing the disulfide markers of simple model compounds but also in the structural analysis of disulfide linkages in peptides and proteins . Meanwhile, the increasing progress in quantum chemistry calculations could bring the proof of reliability for the aforementioned simple rule by means of the Hartree–Fock and density functional theory data obtained basically from diethyl disulfide (Scheme (c)). Nevertheless, despite the fact that diethyl disulfide represents quite well the close vicinity of a disulfide bridge, simply by the presence of ‐S‐C‐ bonds, it completely fails to mimic a correct environment for the two α ‐carbon atoms included in a cystine (Cys‐Cys) unit (Scheme (a)).…”

Section: Introductionmentioning

confidence: 96%

Disulfide linkage Raman markers: a reconsideration attempt

Hernández

Pflüger

López-Tobar

et al. 2014

J Raman Spectroscopy

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During the last decades, Raman spectroscopy has been routinely used for probing the conformational features of disulfide linkages in peptides and proteins. However, the interpretation of disulfide Raman markers is currently performed by a simple rule derived from the earliest observations on dialkyl disulfides. More precisely, this rule consists of the following: (1) in analyzing the Raman bands in the 550–500 cm−1 region ascribed to disulfide bond stretch motion, namely, ν(S‐S), and (2) assigning the three types of Raman markers observed at ~500, ~520, and ~540 cm−1 to three families of rotamers defined along the three successive bonds of the ‐C‐S‐S‐C‐ moiety, referred to as ggg, ggt, and tgt. In this report, we attempt to show that an accurate analysis of disulfide vibrational features needs the use of the five torsion angles (χ1, χ2, χ3, χ2', and χ1') along the five successive bonds joining the two α‐carbon atoms in the cystine (Cys‐Cys) unit. The present work is inspired by the disulfide conformational investigations performed by a statistical scan of numerous protein crystal and nuclear magnetic resonance data, taking into account the handedness (right and left) of a disulfide bridge, its spatial shape (Staple, Hook, and Spiral), as well as the signs of the two extreme torsion angles χ1 and χ1'. It appears that the combined use of the old and recent conformational notations allows a more accurate structural and vibrational analysis of disulfide linkage. Copyright © 2014 John Wiley & Sons, Ltd.

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“…Peaks at 510 ± 5, 525 ± 5, and 540 ± 5 cm −1 were assigned to SS stretching vibrations of gauche‐gauche‐gauche (g‐g‐g), gauche‐gauche‐trans (g‐g‐t), and trans‐gauche‐trans (t‐g‐t) conformers, respectively . Among the three conformers, g‐g‐g conformer was energetically most stable . As shown in Figure , the SS region of 485–570 cm −1 for wool keratin before HTP was dominated by the most stable g‐g‐g conformer.…”

Section: Resultsmentioning

confidence: 99%

“…Table summarizes the assignments of some Raman vibration bands for wool keratin. Peaks at 510 ± 5, 525 ± 5, and 540 ± 5 cm −1 were assigned to SS stretching vibrations of gauche‐gauche‐gauche (g‐g‐g), gauche‐gauche‐trans (g‐g‐t), and trans‐gauche‐trans (t‐g‐t) conformers, respectively . Among the three conformers, g‐g‐g conformer was energetically most stable .…”

Section: Resultsmentioning

confidence: 99%

Hydrothermal pretreatment for the preparation of wool powders

Hou

Shi

et al. 2013

J of Applied Polymer Sci

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Wool powders with low solubility could be easily prepared from wool fibers by combining hydrothermal pretreatment (HTP) and grinding processes. Transforming wool fibers into powders was the first step of exploiting wool as new materials such as bio-thermoplastics. However, wool fibers were difficult to be prepared into powders only by grinding due to their toughness. This article used a chemical-free method to obtain wool powders by grinding HTP-treated wool fibers. Wool fibers after HTP at 130 C for 40 min or above were obviously easier to be broken into snippets with lengths of 25-150 lm after grinding for 1 min and shapeless super-fine powders with diameters of 3-15 lm after ball milling for 10 min. Wool fibers after HTP were brittle mainly owing to decrease of a-helices and SAS bonds. Combination of HTP and grinding could be an eco-friendly and feasible treatment to prepare wool powders on industrial scale.

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Conformations and vibrational properties of disulfide bridges: Potential energy distribution in the model system diethyl disulfide

Cited by 23 publications

References 21 publications

High Sulfur Content Material with Stable Cycling in Lithium‐Sulfur Batteries

High Sulfur Content Material with Stable Cycling in Lithium‐Sulfur Batteries

Disulfide linkage Raman markers: a reconsideration attempt

Hydrothermal pretreatment for the preparation of wool powders

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