Hydrocarbon Chain Ordering in Liquid Crystals Investigated by Means of Infrared Attenuated Total Reflection (IR-ATR) Spectroscopy

1976 ◽  
Vol 31 (9) ◽  
pp. 1098-1107 ◽  
Author(s):  
U. P. Fringeli ◽  
M. Schadt ◽  
P. Riȟak ◽  
Hs. H. Günthard
Keyword(s):  
Liquid Crystals ◽  
Hydrocarbon Chain ◽  
Attenuated Total Reflection ◽  
Absorption Bands ◽  
Schiff’S Base ◽  
Hydrocarbon Chains ◽  
The Mean ◽  
Atr Spectroscopy ◽  
Infrared Dichroism ◽  
Chain Ordering

Abstract Stationary and modulated IR-ATR spectra of Schiff's base nematic liquid crystals are reported. The mean order parameter of both, the aromatic core and the hydrocarbon chains is determined by analysis of the infrared dichroism of characteristic absorption bands. Hydrocarbon chain ordering was found to be considerably lower than predicted by Marčelja's statistical theory.

The Structure of Lipids and Proteins Studied by Attenuated Total Reflection (ATR) Infrared Spectroscopy II. Oriented Layers of a Homologous Series: Phosphatidylethanolamine to Phosphatidylcholine

1977 ◽  
Vol 32 (1-2) ◽  
pp. 20-45 ◽  
Author(s):  
U. P. Fringeli
Keyword(s):  
Structural Features ◽  
Attenuated Total Reflection ◽  
Average Deviation ◽  
Polar Head ◽  
Head Groups ◽  
Hydrocarbon Chains ◽  
Sheep Brain ◽  
The Mean ◽  
Oriented Parallel ◽  
Oriented Layers

Polarized infrared ATR spectra of dry oriented multilayers of dipalmitoylphosphatidylethanol- amine, sheep brain phosphatidylethanolamine, dipalmitoylphosphatidyl-N-methylethanolamine, dipalmitoylphosphatidyl-N-N-dimethylethanolamine, dipalmitoylphosphatidylcholine and egg phos­phatidylcholine are reported. Structural features of hydrocarbon chains and polar headgroups are discussed. The average deviation of hydrocarbon chains from the normal to the plane of the bi­layer was found to be 20-30°. However it was not possible to decide whether the chains are oriented parallel to each other. The fatty acid ester groups in β- and γ-position have different conformations. The phosphate group of dipalmitoylphosphatidylethanolamine exists probably in the I protonated and not in the ionized (>PO2- ) state. However, the latter state is ex­pected for all other phospholipids of this series. The deviation of the bisector of ∢ (OPO) of the >PO2- group from the normal to the bilayer is less than 45° and the mean orientation of all polar head groups is rather parallel than perpendicular to the plane of the bilayer. The polar headgroup of phosphatidylcholine assumes at least two different conformations of the O - C - C - N moiety, i. e. gauche and trans. A variety of conformers has to be expected also for the polar head groups of most of the other phospholipids investigated in this work.

Diffusion Measurements Using FT-IR ATR Spectroscopy: Lubricant Diffusion in Polypropylene

2002 ◽  
Vol 56 (4) ◽  
pp. 509-514 ◽  
Author(s):  
Xiaohua Yi ◽  
Karen Nerbonne ◽  
John Pellegrino
Keyword(s):  
Current Model ◽  
Mineral Oil ◽  
Attenuated Total Reflection ◽  
Lubricant Layer ◽  
Polymer Interfaces ◽  
Time Resolved ◽  
Polymer Sample ◽  
Ft Ir ◽  
Atr Spectroscopy ◽  
Poly Propylene

We present an experimental method for measuring diffusion of lubricants (or any highly viscous fluid) in polymers using Fourier transform infrared (FT-IR) attenuated total reflection (ATR) spectroscopy. Unlike the conventional FT-IR ATR diffusion measurement, in which a polymer sample is sandwiched between the penetrant and an internal reflection element (IRE), in this method, a thin layer of penetrant (for example, a lubricant) is sandwiched between the IRE and the polymer sample. This allows accurate control and measurement of the thickness of the lubricant layer, which, in turn, facilitates subsequent data analysis. The diffusion is studied by monitoring the time-resolved change in absorbance of either a unique polymer or penetrant band. A feature of this new method is that it can provide an estimate of solubility, as well as an estimate of the diffusivity of the penetrant in the polymer. Using this method, we studied the diffusion of mineral oil and a commercial fluorocarbon ether lubricant (Krytox® 143AC‡) in poly(propylene) (PP) film at room temperature. The experimental data was modeled using a Fickian model with impermeable and saturated boundary conditions applied at the IRE/lubricant and lubricant/polymer interfaces, respectively. The diffusivity and solubility of mineral oil in PP were found to be 1.34 ± 0.35 (×10−10) cm2/s and 0.77 ± 0.13 (×10−2) g/g of PP, respectively. The current model was unable to quantitatively describe the diffusion of the Krytox® 143AC in the PP, possibly due to excessive swelling.

Model Optimization and Stability of Hemoglobin Analysis in Human Soluble Blood Samples by FTIR/ATR Spectroscopy

2011 ◽  
Vol 55-57 ◽  
pp. 1168-1171
Author(s):  
Tao Pan ◽  
Ai Hong Peng ◽  
Wen Jie Huang
Keyword(s):  
Signal To Noise Ratio ◽  
Attenuated Total Reflection ◽  
Partial Least Square ◽  
Least Square ◽  
Model Optimization ◽  
Optimal Model ◽  
Blood Samples ◽  
Quantification Method ◽  
Atr Spectroscopy ◽  
Pls Method

Using Fourier transform infrared spectroscopy (FTIR), attenuated total reflection (ATR) technology and partial least square (PLS) method, the rapid quantification method of hemoglobin (HGB) in human soluble blood samples was established. Based on the distribution of samples’ HGB chemical value and absorbance on 1543 cm-1 which had the highest signal to noise ratio for HGB, all samples were divided into calibration set and prediction set for 50 times. PLS models were established for all divisions, based on the average data RMSEPAve, the stable optimal model was selected, the corresponding PLS factor, RMSEPAve and RP,Ave were 2, 6.81 g/L and 0.943 respectively.

Application Of Systems With Total Internal Reflection At Novosibirsk Free Electron Laser For Spectroscopy In The Terahertz Range

2016 ◽  
Vol 11 (3) ◽  
pp. 72-82
Author(s):  
Vasily Gerasimov ◽  
Elvira Grigorieva ◽  
Boris Knyazev ◽  
Yuliya Choporova
Keyword(s):  
Free Electron ◽  
Free Electron Laser ◽  
Quantum Cascade Lasers ◽  
Attenuated Total Reflection ◽  
Terahertz Range ◽  
Optical Systems ◽  
Early Diagnosis Of Cancer ◽  
Infrared Spectral ◽  
Atr Spectroscopy ◽  
Spectral Ranges

Attenuated total reflection (ATR) spectroscopy is widely used in the visible and infrared spectral ranges. Progress in the development of laboratory scale monochromatic sources of terahertz radiation, such as quantum cascade lasers, suggests that in the near future this kind of spectrometers will be widely spread in the terahertz range. For this reason, the development of ATR based methods and devices is highly relevant. In this paper, we discuss the features of the use of ATR spectroscopy in the terahertz range, and describe some of the optical systems, designed for experiments at the Novosibirsk free electron laser (NovoFEL). We show that in the terahertz range the ATR spectroscopy has a number of significant advantages over the absorption spectroscopy. As an example, we are discussing the possibility of using terahertz polarimetry to develop a method for early diagnosis of cancer via the detection of left-handed to right-handed polysaccharide enantiomers ratio. Spectra of selected polysaccharides were recorded with a standard Fourier spectrometer using developed by us an ATR unit. The possibility of studying the polarization characteristics of polysaccharides in aqueous solutions using spectrally selective polarimeter with the NovoFEL as a tunable radiation source was demonstrated.

scholarly journals Simultaneous Infrared Spectroscopy, Raman Spectroscopy and Luminescence Sensing: A Multi-Spectroscopic Analyti-cal Platform

2021 ◽  
Author(s):  
Sarah Klingler ◽  
Julian Hniopek ◽  
Robert Stach ◽  
Michael Schmitt ◽  
Jürgen Popp ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Environmental Chemistry ◽  
Attenuated Total Reflection ◽  
Liquid Volume ◽  
On Line ◽  
Atr Spectroscopy ◽  
Gas Tight ◽  
Scientific Questions ◽  
Minute Sample

Scientific questions in fields such as catalysis, monitoring of biological processes or environmental chemistry demand for analytical technologies combining orthogonal spectroscopies. Combined spectroscopic concepts facilitate in-situ on-line monitoring of dynamic processes providing for a better understanding of the involved reaction pathways. In the present study, a low-liquid-volume multi-spectroscopic platform was developed based on infrared attenuated total reflection (IR-ATR) spectroscopy combined with Raman spectroscopy and lumines-cence sensing. For demonstrating the measurement capabilities, exemplary analyte systems including water / heavy water and aqueous solutions of ammonium sulfate were analyzed as proof-of-principle studies. It was successfully demonstrated that three optical techniques may be integrated into a single analytical platform with-out interference providing synchronized and complementary datasets by probing the same minute sample vol-ume. In addition, the developed assembly provides a gas-tight lid sealing the headspace above the probed liq-uid for monitoring the concentration of molecular oxygen also in the gas phase via luminescence quenching. Hence, the entire assembly may be operated at inert conditions, as required for example during the analysis of photocatalytic processes.

scholarly journals Hyperspectral data compression based upon the principal component analysis

2021 ◽  
Vol 45 (2) ◽  
pp. 235-244
Author(s):  
A.S. Minkin ◽  
O.V. Nikolaeva ◽  
A.A. Russkov
Keyword(s):  
Principal Component Analysis ◽  
Data Compression ◽  
Principal Component ◽  
Component Analysis ◽  
Hyperspectral Data ◽  
Gas Absorption ◽  
Absorption Bands ◽  
Spectral Bands ◽  
The Mean ◽  
Retrieval Errors

The paper is aimed at developing an algorithm of hyperspectral data compression that combines small losses with high compression rate. The algorithm relies on a principal component analysis and a method of exhaustion. The principal components are singular vectors of an initial signal matrix, which are found by the method of exhaustion. A retrieved signal matrix is formed in parallel. The process continues until a required retrieval error is attained. The algorithm is described in detail and input and output parameters are specified. Testing is performed using AVIRIS data (Airborne Visible-Infrared Imaging Spectrometer). Three images of differently looking sky (clear sky, partly clouded sky, and overcast skies) are analyzed. For each image, testing is performed for all spectral bands and for a set of bands from which high water-vapour absorption bands are excluded. Retrieval errors versus compression rates are presented. The error formulas include the root mean square deviation, the noise-to-signal ratio, the mean structural similarity index, and the mean relative deviation. It is shown that the retrieval errors decrease by more than an order of magnitude if spectral bands with high gas absorption are disregarded. It is shown that the reason is that weak signals in the absorption bands are measured with great errors, leading to a weak dependence between the spectra in different spatial pixels. A mean cosine distance between the spectra in different spatial pixels is suggested to be used to assess the image compressibility.

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