scholarly journals QM calculations predict the energetics and infrared spectra of transient glutamine isomers in LOV photoreceptors

2021 ◽  
Author(s):  
Prokopis C. Andrikopoulos ◽  
Aditya S. Chaudhari ◽  
Yingliang Liu ◽  
Patrick E. Konold ◽  
John T. M. Kennis ◽  
...  
Keyword(s):  
Infrared Spectra ◽  
Time Resolved ◽  
Spectral Shifts ◽  
Glutamine Residue

The isomerisation of a conserved glutamine residue along the early photocycle of 3 LOV domains is explored by QM calculations, revealing IR spectral shifts upon rotation in agreement with time-resolved experiments.

Characterization and Application of an Infrared Linear Array Spectrometer for Time-Resolved Infrared Spectroscopy

1993 ◽  
Vol 47 (10) ◽  
pp. 1626-1630 ◽  
Author(s):  
Sadiq M. Alawi ◽  
Teresa Krug ◽  
Hugh H. Richardson
Keyword(s):  
Infrared Spectra ◽  
Linear Array ◽  
Signal To Noise Ratio ◽  
Spectral Width ◽  
Array Detector ◽  
Time Resolved ◽  
Infrared Spectrometer ◽  
Instrumental Line ◽  
Time Resolved Infrared Spectroscopy ◽  
193 Nm

An infrared spectrometer is described which uses a 32-element InSb linear array detector. The infrared linear array (IRLA) spectrometer collects infrared spectra with a spectral width of 0.50 µm every 16 µs. The performance of the IRLA spectrometer is characterized with respect to signal-to-noise ratio, spectral resolution, time resolution, and instrumental line shape. The IRLA spectrometer is used to collect the time-resolved infrared spectra following 193-nm irradiation of a solution of Mo(CO)6 in hexane.

Infrared Photoacoustic Spectroscopy of Conducting Polymers. I. Undoped and n-Doped Polyacetylene

1981 ◽  
Vol 35 (6) ◽  
pp. 557-559 ◽  
Author(s):  
Stephen M. Riseman ◽  
Stuart I. Yaniger ◽  
Edward M. Eyring ◽  
David Macinnes ◽  
Alan Graham Macdiarmid ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Infrared Spectrum ◽  
Conducting Polymers ◽  
Infrared Spectra ◽  
Photoacoustic Spectroscopy ◽  
Fourier Transform Infrared ◽  
Spectral Shifts ◽  
Ft Ir ◽  
Infrared Photoacoustic Spectroscopy

Fourier transform infrared photoacoustic (FT-IR-PA) spectroscopy has been used to obtain the first published infrared spectrum of a heavily n-doped polyacetylene. Comparisons are made with the FT-IR-PA spectrum of undoped polyacetylene. All the infrared peaks in the FT-IR-PA spectrum of undoped polyacetylene agree in wavelength to ±10 cm−1 with transmission infrared peaks previously assigned by Shirakawa and Ikeda. Spectral shifts and intensity differences between the n-doped and undoped polyacetylene are similar to changes noted previously in the infrared spectra of p-doped polyacetylenes.

Picosecond time-resolved infrared spectra of photo-excited phenol–(NH3)3 cluster

2001 ◽  
Vol 347 (1-3) ◽  
pp. 87-92 ◽  
Author(s):  
Shun-ichi Ishiuchi ◽  
Makoto Sakai ◽  
Kota Daigoku ◽  
Tadashi Ueda ◽  
Takaya Yamanaka ◽  
...  
Keyword(s):  
Infrared Spectra ◽  
Time Resolved

scholarly journals Vibrational Mode Coupling to Reverse Electron Transfer in (CN)5FeCNRu(NH3)5− in Solution

1999 ◽  
Vol 19 (1-4) ◽  
pp. 385-387
Author(s):  
Chengfei Wang ◽  
Boris Akhremitchev ◽  
Gilbert C. Walker
Keyword(s):  
Electron Transfer ◽  
Charge Transfer ◽  
Spectral Data ◽  
Infrared Spectra ◽  
High Frequency ◽  
Mode Coupling ◽  
Vibrational Mode ◽  
Time Resolved ◽  
Reverse Electron Transfer ◽  
Infrared Spectral

We present charge transfer absorption, resonance Raman and time-resolved infrared spectral data for (CN)5FeCNRu(NH3)5− in various solvents. The transient infrared spectra and anisotropies reveal both non-equilibrium vibrational populations of high frequency modes and local solvent heating.

Probing Ethanol-Induced Phospholipid Phase Transitions by the Polarity Sensitive Fluorescence Probes Prodan and Patman

2002 ◽  
Vol 216 (3) ◽  
Author(s):  
R. Hutterer ◽  
M. Hof
Keyword(s):  
Phase Transition ◽  
Emission Spectra ◽  
Fluorescence Probes ◽  
Lipid Phase ◽  
Time Resolved ◽  
Pronounced Increase ◽  
Spectral Shifts ◽  
Gel Phase ◽  
Polarity Sensitive ◽  
Specific Lipid

The emission behaviour of the two polarity sensitive probes Prodan and Patman in phospholipid vesicles was studied as a function of the concentration of ethanol. Comparing the spectral shifts in both the symmetric lipid 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) showing a phase transition from a normal to a fully interdigitated gel phase and the strongly asymmetric lipid 1-stearoyl-2-lauroyl-sn-glycero-3-phosphatidylcholine (C(18):C(12)-PC) favouring a mixed interdigitated gel phase we show that the huge red shifts of Prodan in presence of higher ethanol concentrations cannot be easily attributed to a specific lipid phase transition. Rather, probe relocation and a pronounced increase in solvent relaxation (SR) as monitored by time-resolved emission spectra (TRES) in presence of ethanol contribute to the large shifts observable in both lipid systems in case of Prodan. While Patman exhibits a red shift caused by increased SR due to the ethanol induced formation of a fully interdigitated phase in DPPC, hardly any shift occurs in C(18):C(12)-PC, which is supposed not to undergo an ethanol-induced phase transition.

Phase Angle Description of Perturbation Correlation Analysis and its Application to Time-Resolved Infrared Spectra

2007 ◽  
Vol 61 (8) ◽  
pp. 867-872 ◽  
Author(s):  
Shigeaki Morita ◽  
Masaru Tanaka ◽  
Isao Noda ◽  
Yukihiro Ozaki
Keyword(s):  
Correlation Analysis ◽  
Phase Angle ◽  
Infrared Spectra ◽  
Water Sorption ◽  
Time Lag ◽  
Relaxation Times ◽  
Correlation Spectroscopy ◽  
Data Set ◽  
Time Resolved ◽  
2D Correlation Spectroscopy

A method of spectral analysis, phase angle description of perturbation correlation analysis, is proposed. This method is based on global phase angle description of generalized two-dimensional (2D) correlation spectroscopy, proposed by Shin-ichi Morita et al., and perturbation-correlation moving-window 2D (PCMW2D) correlation spectroscopy, proposed by Shigeaki Morita et al. For a spectral data set collected under an external perturbation, such as time-resolved infrared spectra, this method provides only one phase angle spectrum. A phase angle of the Fourier frequency domain correlation between a spectral intensity (e.g., absorbance) variation and a perturbation variation (e.g., scores of the first principle component) as a function of spectral variable (e.g., wavenumber) is plotted. Therefore, a degree of time lag of each band variation with respect to the perturbation variation is directly visualized in the phase angle spectrum. This method is applied to time-resolved infrared spectra in the O–H stretching region of the water sorption process into a poly(2-methoxyethyl acrylate) (PMEA) film. The time-resolved infrared (IR) spectra show three broad and overlapping bands in the region. Each band increases toward saturated water sorption with different relaxation times. In comparison to conventional methods of generalized 2D correlation spectroscopy and global phase angle mapping, the method proposed in the present study enables the easier visualization of the sequence as a degree of phase angle in the spectrum.

Time-Resolved Infrared Spectroelectrochemistry

1986 ◽  
Vol 40 (4) ◽  
pp. 489-491 ◽  
Author(s):  
John Daschbach ◽  
Dale Heisler ◽  
Stanley Pons
Keyword(s):  
Time Evolution ◽  
Infrared Spectra ◽  
Electrode Surface ◽  
Vibrational Structure ◽  
Time Resolved ◽  
Solution Interface ◽  
Data Points ◽  
Time Periods ◽  
Post Coupling

The generation of time-resolved infrared spectra of species formed at the electrode-solution interface is reported. The methodology involves electronic pre- or post-coupling of the electrochemical experiment to the interferometer retardation timing. By the sorting of the data points in each of the resulting sets of interferograms, which are accumulated over finite intervals of time after initiation of the electrochemical experiment, spectra representing very short integrated time periods are obtained. These time discretized spectra represent the time evolution of the vibrational structure at the electrode surface.

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