Computational IR Spectroscopy of Insulin Dimer Structure and Conformational Heterogeneity

2021 ◽  
Author(s):  
Chi-Jui Feng ◽  
Anton Sinitskiy ◽  
Vijay Pande ◽  
Andrei Tokmakoff
Keyword(s):  
Ir Spectroscopy ◽  
Conformational Heterogeneity ◽  
Dimer Structure

scholarly journals Site-specific 2D IR spectroscopy: a general approach for the characterization of protein dynamics with high spatial and temporal resolution

2019 ◽  
Vol 21 (2) ◽  
pp. 780-788 ◽  
Author(s):  
Sashary Ramos ◽  
Rachel E. Horness ◽  
Jessica A. Collins ◽  
David Haak ◽  
Megan C. Thielges
Keyword(s):  
Ir Spectroscopy ◽  
Spatial Heterogeneity ◽  
Protein Dynamics ◽  
Temporal Resolution ◽  
Protein Structures ◽  
Side Chains ◽  
Conformational Heterogeneity ◽  
Site Specific ◽  
2D Ir

The conformational heterogeneity and dynamics of protein side chains contribute to function, but investigating exactly how is hindered by experimental challenges arising from the fast timescales involved and the spatial heterogeneity of protein structures.

IR SPECTROSCOPY WITH SURFACE ELECTROMAGNETIC WAVES

1984 ◽  
Vol 45 (C5) ◽  
pp. C5-167-C5-178
Author(s):  
A. J. Sievers ◽  
Z. Schlesinger ◽  
Y. J. Chabal
Keyword(s):  
Ir Spectroscopy ◽  
Electromagnetic Waves ◽  
Surface Electromagnetic Waves

Determination of Hydroxy Groups in the Modified Epoxy Oligomers Using IR-Spectroscopy

2015 ◽  
Vol 9 (4) ◽  
pp. 411-416 ◽  
Author(s):  
Ostap Ivashkiv ◽  
◽  
Piotr Bruzdziak ◽  
Olena Shyshchak ◽  
Jacek Namiesnik ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Epoxy Oligomers ◽  
Hydroxy Groups ◽  
Modified Epoxy

First Nano-Infrared Spectroscopy and Imaging Measurements of Single Phospholipid Bilayers

2018 ◽  
Author(s):  
Adrian Cernescu ◽  
Michał Szuwarzyński ◽  
Urszula Kwolek ◽  
Karol Wolski ◽  
Paweł Wydro ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Ir Spectroscopy ◽  
Absorption Band ◽  
Spectral Region ◽  
Near Field ◽  
Phospholipid Bilayers ◽  
Model Systems ◽  
Absorption Bands ◽  
Protein Complement ◽  
20 Nm

<div><div>Scattering-mode Scanning Near-Field Optical Microscopy (sSNOM) allows one to obtain absorption spectra in the mid-IR region for samples as small as 20 nm in size. This configuration has made it possible to measure FTIR spectra of the protein complement of membranes. (Amenabar 2013) We now show that mid-IR sSNOM has the sensitivity required to measure spectra of phospholipids in individual bilayers in the spectral range 800 cm<sup>-1</sup>–1400 cm<sup>-1</sup>. We have observed the main absorption bands of the dipalmitoylphosphatidylcholine headgroups in this spectral region above noise level. We have also mapped the phosphate absorption band at 1070 cm<sup>-1</sup> simultaneously with the AFM topography. We have shown that we could achieve sufficient contrast to discriminate between single and multiple phospholipid bilayers and other structures, such as liposomes. This work opens the way to further research that uses nano-IR spectroscopy to describe the biochemistry of cell membranes and model systems.</div></div><div></div>

The Nature of Chemisorbed CO2 in Zeolite A

2019 ◽  
Author(s):  
Przemyslaw Rzepka ◽  
Zoltán Bacsik ◽  
Andrew J. Pell ◽  
Niklas Hedin ◽  
Aleksander Jaworski
Keyword(s):  
Solid State ◽  
Ir Spectroscopy ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Surface Coverage ◽  
Gas Mixtures ◽  
Mas Nmr ◽  
Significant Fraction ◽  
Zeolite A

Formation of CO<sub>3</sub><sup>2-</sup> and HCO<sub>3</sub><sup>-</sup> species without participation of the framework oxygen atoms upon chemisorption of CO<sub>2</sub> in zeolite |Na<sub>12</sub>|-A is revealed. The transfer of O and H atoms is very likely to have proceeded via the involvement of residual H<sub>2</sub>O or acid groups. A combined study by solid-state <sup>13</sup>C MAS NMR, quantum chemical calculations, and <i>in situ</i> IR spectroscopy showed that the chemisorption mainly occurred by the formation of HCO<sub>3</sub><sup>-</sup>. However, at a low surface coverage of physisorbed and acidic CO<sub>2</sub>, a significant fraction of the HCO<sub>3</sub><sup>-</sup> was deprotonated and transformed into CO<sub>3</sub><sup>2-</sup>. We expect that similar chemisorption of CO<sub>2</sub> would occur for low-silica zeolites and other basic silicates of interest for the capture of CO<sub>2</sub> from gas mixtures.

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