Investigations of the functional states of dendritic cells under different conditioned microenvironments by Fourier transformed infrared spectroscopy.

PubMed

Dong, Rong; Long, Jinhua; Xu, Xiaoli; Zhang, Chunlin; Wen, Zongyao; Li, Long; Yao, Weijuan; Zeng, Zhu

2014-01-10

Dendritic cells are potent and specialized antigen presenting cells, which play a crucial role in initiating and amplifying both the innate and adaptive immune responses. The dendritic cell-based vaccination against cancer has been clinically achieved promising successes. But there are still many challenges in its clinical application, especially for how to identify the functional states. The CD14+ monocytes were isolated from human peripheral blood after plastic adherence and purified to approximately 98% with cocktail immunomagnetic beads. The immature dendritic cells and mature dendritic cells were induced by traditional protocols. The resulting dendritic cells were cocultured with normal cells and cancer cells. The functional state of dendritic cells including immature dendritic cells (imDCs) and mature dendritic cells (mDCs) under different conditioned microenvironments were investigated by Fourier transformed infrared spectroscopy (FTIR) and molecular biological methods. The results of Fourier transformed infrared spectroscopy showed that the gene transcription activity and energy states of dendritic cells were specifically suppressed by tumor cells (P < 0.05 or 0.01). The expression levels of NF-kappa B (NF-κB) in dendritic cells were also specifically inhibited by tumor-derived factors (P < 0.05 or 0.01). Moreover, the ratios of absorption intensities of Fourier transformed infrared spectroscopy at given wave numbers were closely correlated with the expression levels of NF-κB (R2:0.69 and R2:0.81, respectively). Our results confirmed that the ratios of absorption intensities of Fourier transformed infrared spectroscopy at given wave numbers were positively correlated with the expression levels of NF-κB, suggesting that Fourier transformed infrared spectroscopy technology could be clinically applied to identify the functional states of dendritic cell when performing dendritic cell-based vaccination. It's significant for the simplification and

Determination of diosmin in pharmaceutical formulations using Fourier transform infrared spectrophotometry

PubMed Central

Bunaciu, Andrei A.; Udristioiu, Gabriela Elena; Ruţă, Lavinia L.; Fleschin, Şerban; Aboul-Enein, Hassan Y.

2009-01-01

A Fourier transform infrared (FT-IR) spectrometric method was developed for the rapid, direct measurement of diosmin in different pharmaceutical drugs. Conventional KBr-spectra were compared for best determination of active substance in commercial preparations. The Beer–Lambert law and two chemometric approaches, partial least squares (PLS) and principal component regression (PCR+) methods, were tried in data processing. PMID:23960715

Development of secondary cell wall in cotton fibers as examined with Fourier transform-infrared spectroscopy

USDA-ARS?s Scientific Manuscript database

Our presentation will focus on continuing efforts to examine secondary cell wall development in cotton fibers using infrared Spectroscopy. Cotton fibers harvested at 18, 20, 24, 28, 32, 36 and 40 days after flowering were examined using attenuated total reflection Fourier transform-infrared (ATR FT-...

Fourier Transform Infrared Spectroscopy as a Tool in Analysis of Proteus mirabilis Endotoxins.

PubMed

Żarnowiec, Paulina; Czerwonka, Grzegorz; Kaca, Wiesław

2017-01-01

Fourier transform infrared spectroscopy (FT-IR) was used to scan whole bacterial cells as well as lipopolysaccharides (LPSs, endotoxins) isolated from them. Proteus mirabilis cells, with chemically defined LPSs, served as a model for the ATR FT-IR method. The paper focuses on three steps of infrared spectroscopy: (1) sample preparation, (2) IR scanning, and (3) multivariate analysis of IR data (principal component analysis, PCA).

Fourier transform infrared microspectroscopy for the analysis of the biochemical composition of C. elegans worms.

PubMed

Sheng, Ming; Gorzsás, András; Tuck, Simon

2016-01-01

Changes in intermediary metabolism have profound effects on many aspects of C. elegans biology including growth, development and behavior. However, many traditional biochemical techniques for analyzing chemical composition require relatively large amounts of starting material precluding the analysis of mutants that cannot be grown in large amounts as homozygotes. Here we describe a technique for detecting changes in the chemical compositions of C. elegans worms by Fourier transform infrared microspectroscopy. We demonstrate that the technique can be used to detect changes in the relative levels of carbohydrates, proteins and lipids in one and the same worm. We suggest that Fourier transform infrared microspectroscopy represents a useful addition to the arsenal of techniques for metabolic studies of C. elegans worms.

[Using 2-DCOS to identify the molecular spectrum peaks for the isomer in the multi-component mixture gases Fourier transform infrared analysis].

PubMed

Zhao, An-Xin; Tang, Xiao-Jun; Zhang, Zhong-Hua; Liu, Jun-Hua

2014-10-01

The generalized two-dimensional correlation spectroscopy and Fourier transform infrared were used to identify hydrocarbon isomers in the mixed gases for absorption spectra resolution enhancement. The Fourier transform infrared spectrum of n-butane and iso-butane and the two-dimensional correlation infrared spectrum of concentration perturbation were used for analysis as an example. The all band and the main absorption peak wavelengths of Fourier transform infrared spectrum for single component gas showed that the spectra are similar, and if they were mixed together, absorption peaks overlap and peak is difficult to identify. The synchronous and asynchronous spectrum of two-dimensional correlation spectrum can clearly identify the iso-butane and normal butane and their respective characteristic absorption peak intensity. Iso-butane has strong absorption characteristics spectrum lines at 2,893, 2,954 and 2,893 cm(-1), and n-butane at 2,895 and 2,965 cm(-1). The analysis result in this paper preliminary verified that the two-dimensional infrared correlation spectroscopy can be used for resolution enhancement in Fourier transform infrared spectrum quantitative analysis.

Applications of Fourier transform infrared spectroscopy to quality control of the epoxy matrix

NASA Technical Reports Server (NTRS)

Antoon, M. K.; Starkey, K. M.; Koenig, J. L.

1979-01-01

The object of the paper is to demonstrate the utility of Fourier transform infrared (FT-IR) difference spectra for investigating the composition of a neat epoxy resin, hardener, and catalysts. The composition and degree of cross-linking of the cured matrix is also considered.

Chemical fingerprinting of Arabidopsis using Fourier transform infrared (FT-IR) spectroscopic approaches.

PubMed

Gorzsás, András; Sundberg, Björn

2014-01-01

Fourier transform infrared (FT-IR) spectroscopy is a fast, sensitive, inexpensive, and nondestructive technique for chemical profiling of plant materials. In this chapter we discuss the instrumental setup, the basic principles of analysis, and the possibilities for and limitations of obtaining qualitative and semiquantitative information by FT-IR spectroscopy. We provide detailed protocols for four fully customizable techniques: (1) Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS): a sensitive and high-throughput technique for powders; (2) attenuated total reflectance (ATR) spectroscopy: a technique that requires no sample preparation and can be used for solid samples as well as for cell cultures; (3) microspectroscopy using a single element (SE) detector: a technique used for analyzing sections at low spatial resolution; and (4) microspectroscopy using a focal plane array (FPA) detector: a technique for rapid chemical profiling of plant sections at cellular resolution. Sample preparation, measurement, and data analysis steps are listed for each of the techniques to help the user collect the best quality spectra and prepare them for subsequent multivariate analysis.

Fourier transform infrared spectroscopic analysis of cell differentiation

NASA Astrophysics Data System (ADS)

Ishii, Katsunori; Kimura, Akinori; Kushibiki, Toshihiro; Awazu, Kunio

2007-02-01

Stem cells and its differentiations have got a lot of attentions in regenerative medicine. The process of differentiations, the formation of tissues, has become better understood by the study using a lot of cell types progressively. These studies of cells and tissue dynamics at molecular levels are carried out through various approaches like histochemical methods, application of molecular biology and immunology. However, in case of using regenerative sources (cells, tissues and biomaterials etc.) clinically, they are measured and quality-controlled by non-invasive methods from the view point of safety. Recently, the use of Fourier Transform Infrared spectroscopy (FT-IR) has been used to monitor biochemical changes in cells, and has gained considerable importance. The objective of this study is to establish the infrared spectroscopy of cell differentiation as a quality control of cell sources for regenerative medicine. In the present study, as a basic study, we examined the adipose differentiation kinetics of preadipocyte (3T3-L1) and the osteoblast differentiation kinetics of bone marrow mesenchymal stem cells (Kusa-A1) to analyze the infrared absorption spectra. As a result, we achieved to analyze the adipose differentiation kinetics using the infrared absorption peak at 1739 cm-1 derived from ester bonds of triglyceride and osteoblast differentiation kinetics using the infrared absorption peak at 1030 cm-1 derived from phosphate groups of calcium phosphate.

Physiological response of Arundo donax to cadmium stress by Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Yu, Shunhui; Sheng, Li; Zhang, Chunyan; Deng, Hongping

2018-06-01

The present paper deals with the physiological response of the changes in chemical contents of the root, stem and leaf of Arundo donax seedlings stressed by excess cadmium using Fourier transform infrared spectroscopy technique, cadmium accumulation in plant by atomic absorption spectroscopy were tested after different concentrations cadmium stress. The results showed that low cadmium concentrations (<1.0 mg/L) the root tissue of Arundo donax uses osmosis of organic substances (e.g. carbohydrates and amino acids) to improve cadmium tolerance. Organic substances (e.g. carbohydrates) that contain a lot of Osbnd H in leaf were transported to the root firstly and then could chelate cadmium, but no obvious changes in stems were noted. The cadmium in the shoots (stem and leaf) usually increased with increasing cadmium concentration. These studies demonstrate the potential of Fourier transform infrared spectroscopy technique for the non-invasive and rapid monitoring of the plants stressed with heavy metals, Arundo donax is suitable for phytoremediation of cadmium -contaminated wetland.

Metabolic fingerprinting of lichen Usnea baileyi by Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Bakar, Siti Zaharah Abu; Latip, Jalifah; bin Din, Laily; Samsuddin, Mohd Wahid

2014-09-01

The lichen Usnea baileyi collected from different environments was characterised using Fourier transform infrared spectroscopy. This preliminary study was done to determine the effects of different environment populations on U. baileyi chemical composition. Results showed that the absorbance peaks of Golf Course 2 (GCU2) are more intense compared to Taman Awana (TA), Jalan Awana (JA) and Jalan Gohtong (JG). U. baileyi contains of dibenzofurans, depsides, depsidones, xanthones and terpenoids.

Fourier-transform infrared derivative spectroscopy with an improved signal-to-noise ratio.

PubMed

Fetterman, M R

2005-09-01

Infrared derivative spectroscopy is a useful technique for finding peaks hidden in broad spectral features. A data acquisition technique is shown that will improve the signal-to-noise ratio (SNR) of Fourier-transform infrared (FTIR) derivative spectroscopy. Typically, in a FTIR measurement one samples each point for the same time interval. The effect of using a graded time interval is studied. The simulations presented show that the SNR of first-derivative FTIR spectroscopy will improve by 15% and that the SNR of second-derivative FTIR will improve by 34%.

Flow-through Fourier transform infrared sensor for total hydrocarbons determination in water.

PubMed

Pérez-Palacios, David; Armenta, Sergio; Lendl, Bernhard

2009-09-01

A new flow-through Fourier transform infrared (FT-IR) sensor for oil in water analysis based on solid-phase spectroscopy on octadecyl (C18) silica particles has been developed. The C18 non-polar sorbent is placed inside the sensor and is able to retain hydrocarbons from water samples. The system does not require the use of chlorinated solvents, reducing the environmental impact, and the minimal sample handling stages serve to ensure sample integrity whilst reducing exposure of the analyst to any toxic hydrocarbons present within the samples. Fourier transform infrared (FT-IR) spectra were recorded by co-adding 32 scans at a resolution of 4 cm(-1) and the band located at 1462 cm(-1) due to the CH(2) bending was integrated from 1475 to 1450 cm(-1) using a baseline correction established between 1485 and 1440 cm(-1) using the areas as analytical signal. The technique, which provides a limit of detection (LOD) of 22 mg L(-1) and a precision expressed as relative standard deviation (RSD) lower than 5%, is considerably rapid and allows for a high level of automation.

Characterization of ceramic matrix composite degradation using Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Henry, Christine; Criner, Amanda Keck; Imel, Megan; King, Derek

2018-04-01

Data collected with a handheld Fourier Transform Infrared (FTIR) device is analyzed and considered as a useful method for detecting and quantifying oxidation on the surface of ceramic matrix composite (CMC) materials. Experiments examine silicon carbide (SiC) coupons, looking for changes in chemical composition before and after thermal exposure. Using mathematical, physical and statistical models for FTIR reflectance data, this research seeks to quantify any detected spectral changes as an indicator of surface oxidation on the CMC coupon.

Physiological response of Arundo donax to cadmium stress by Fourier transform infrared spectroscopy.

PubMed

Yu, Shunhui; Sheng, Li; Zhang, Chunyan; Deng, Hongping

2018-06-05

The present paper deals with the physiological response of the changes in chemical contents of the root, stem and leaf of Arundo donax seedlings stressed by excess cadmium using Fourier transform infrared spectroscopy technique, cadmium accumulation in plant by atomic absorption spectroscopy were tested after different concentrations cadmium stress. The results showed that low cadmium concentrations (<1.0mg/L) the root tissue of Arundo donax uses osmosis of organic substances (e.g. carbohydrates and amino acids) to improve cadmium tolerance. Organic substances (e.g. carbohydrates) that contain a lot of OH in leaf were transported to the root firstly and then could chelate cadmium, but no obvious changes in stems were noted. The cadmium in the shoots (stem and leaf) usually increased with increasing cadmium concentration. These studies demonstrate the potential of Fourier transform infrared spectroscopy technique for the non-invasive and rapid monitoring of the plants stressed with heavy metals, Arundo donax is suitable for phytoremediation of cadmium -contaminated wetland. Copyright © 2018 Elsevier B.V. All rights reserved.

EVALUATION OF A PORTABLE FOURIER TRANSFORM INFRARED GAS ANALYZER FOR MEASUREMENTS OF AIR TOXICS IN POLLUTION PREVENTION RESEARCH

EPA Science Inventory

A portable Fourier transform infrared gas analyzer with a photoacoustic detector performed reliably during pollution prevention research at two industrial facilities. It exhibited good agreement (within approximately 6%) with other analytical instruments (dispersive infrared and ...

[Study on different extracts of Chrysanthemum indicum by Fourier transform infrared spectroscopy].

PubMed

Zhang, Yan-Ling; Xia, Yuan; Tsogt; Zhou, Qun; Sun, Su-Qin

2012-12-01

According to the macro-fingerprint characteristic of infrared spectroscopy, Fourier transform infrared spectroscopy and second-derivative infrared spectroscopy were used to analyze the extracts of chrysanthemum indicum L. by different solvents. It was speculated preliminarily that the main component of petroleum ether extract was long chain fatty acids (esters) and terpenes of small molecules, ethyl acetate extract contains terpenes and flavonoids mainly, ethanol and 95% ethanol extract was mainly composed of flavonoids and flavonoid glycosides, and deionized water extract contains polysaccharides and tannins mainly. Besides, the content of flavonoids in ethanol extract is the highest by comparison of the infrared spectroscopy of different extracts with that of buddleoside. Thus, the infrared spectroscopy can analyze directly the extracts of traditional Chinese medicines, recognize the main ingredient preliminarily, and then supply directional reference for further planning the extract scheme and detection methods.

Far-infrared Fourier Transform Spectroscopy Measurements of Mn12-acetate.

NASA Astrophysics Data System (ADS)

Tu, Jiufeng; Suzuki, Yoko; Mertes, K. M.; Sarachik, M. P.; Agladze, N. I.; Sievers, A. J.; Rumberger, E. M.; Hendrickson, D. N.; Christou, G.

2004-03-01

The transmission spectra of both powder samples and assemblies of single crystals of Mn_12-acetate were measured in the far infrared region (2.0 - 20 cm-1) using a Fourier transform technique. The energies of the observed aborption lines agree with those obtained by Mukhin et al. [1] using the backwards wave oscillator technique. The temperature dependence of the aborption lines, as well as the presence of additional absorption lines, will be discussed. [1] A. A. Mukhin, V. D. Travkin, A. K. Zvesdin, A. Caneschi, D. Gatteschi and R. Sessoli, Physica B 284-288 (2000) 1221-1222

Electro-Optical Imaging Fourier-Transform Spectrometer

NASA Technical Reports Server (NTRS)

Chao, Tien-Hsin; Zhou, Hanying

2006-01-01

An electro-optical (E-O) imaging Fourier-transform spectrometer (IFTS), now under development, is a prototype of improved imaging spectrometers to be used for hyperspectral imaging, especially in the infrared spectral region. Unlike both imaging and non-imaging traditional Fourier-transform spectrometers, the E-O IFTS does not contain any moving parts. Elimination of the moving parts and the associated actuator mechanisms and supporting structures would increase reliability while enabling reductions in size and mass, relative to traditional Fourier-transform spectrometers that offer equivalent capabilities. Elimination of moving parts would also eliminate the vibrations caused by the motions of those parts. Figure 1 schematically depicts a traditional Fourier-transform spectrometer, wherein a critical time delay is varied by translating one the mirrors of a Michelson interferometer. The time-dependent optical output is a periodic representation of the input spectrum. Data characterizing the input spectrum are generated through fast-Fourier-transform (FFT) post-processing of the output in conjunction with the varying time delay.

Limitations and potential of spectral subtractions in fourier-transform infrared (FTIR) spectroscopy of soil samples

USDA-ARS?s Scientific Manuscript database

Soil science research is increasingly applying Fourier transform infrared (FTIR) spectroscopy for analysis of soil organic matter (SOM). However, the compositional complexity of soils and the dominance of the mineral component can limit spectroscopic resolution of SOM and other minor components. The...

Chemometric Analysis of Multicomponent Biodegradable Plastics by Fourier Transform Infrared Spectrometry: The R-Matrix Method

USDA-ARS?s Scientific Manuscript database

A new chemometric method based on absorbance ratios from Fourier transform infrared spectra was devised to analyze multicomponent biodegradable plastics. The method uses the BeerLambert law to directly compute individual component concentrations and weight losses before and after biodegradation of c...

Fourier transform infrared spectroscopy techniques for the analysis of drugs of abuse

NASA Astrophysics Data System (ADS)

Kalasinsky, Kathryn S.; Levine, Barry K.; Smith, Michael L.; Magluilo, Joseph J.; Schaefer, Teresa

1994-01-01

Cryogenic deposition techniques for Gas Chromatography/Fourier Transform Infrared (GC/FT-IR) can be successfully employed in urinalysis for drugs of abuse with detection limits comparable to those of the established Gas Chromatography/Mass Spectrometry (GC/MS) technique. The additional confidence of the data that infrared analysis can offer has been helpful in identifying ambiguous results, particularly, in the case of amphetamines where drugs of abuse can be confused with over-the-counter medications or naturally occurring amines. Hair analysis has been important in drug testing when adulteration of urine samples has been a question. Functional group mapping can further assist the analysis and track drug use versus time.

Thermal stabilization of static single-mirror Fourier transform spectrometers

NASA Astrophysics Data System (ADS)

Schardt, Michael; Schwaller, Christian; Tremmel, Anton J.; Koch, Alexander W.

2017-05-01

Fourier transform spectroscopy has become a standard method for spectral analysis of infrared light. With this method, an interferogram is created by two beam interference which is subsequently Fourier-transformed. Most Fourier transform spectrometers used today provide the interferogram in the temporal domain. In contrast, static Fourier transform spectrometers generate interferograms in the spatial domain. One example of this type of spectrometer is the static single-mirror Fourier transform spectrometer which offers a high etendue in combination with a simple, miniaturized optics design. As no moving parts are required, it also features a high vibration resistance and high measurement rates. However, it is susceptible to temperature variations. In this paper, we therefore discuss the main sources for temperature-induced errors in static single-mirror Fourier transform spectrometers: changes in the refractive index of the optical components used, variations of the detector sensitivity, and thermal expansion of the housing. As these errors manifest themselves in temperature-dependent wavenumber shifts and intensity shifts, they prevent static single-mirror Fourier transform spectrometers from delivering long-term stable spectra. To eliminate these shifts, we additionally present a work concept for the thermal stabilization of the spectrometer. With this stabilization, static single-mirror Fourier transform spectrometers are made suitable for infrared process spectroscopy under harsh thermal environmental conditions. As the static single-mirror Fourier transform spectrometer uses the so-called source-doubling principle, many of the mentioned findings are transferable to other designs of static Fourier transform spectrometers based on the same principle.

PLANE-INTEGRATED OPEN-PATH FOURIER TRANSFORM INFRARED SPECTROMETRY METHODOLOGY FOR ANAEROBIC SWINE LAGOON EMISSION MEASUREMENTS

EPA Science Inventory

Emissions of ammonia and methane from an anaerobic lagoon at a swine animal feeding operation were evaluated five times over a period of two years. The plane-integrated (PI) open-path Fourier transform infrared spectrometry (OP-FTIR) methodology was used to transect the plume at ...

[Application of Fourier transform infrared spectroscopy in identification of wine spoilage].

PubMed

Zhao, Xian-De; Dong, Da-Ming; Zheng, Wen-Gang; Jiao, Lei-Zi; Lang, Yun

2014-10-01

In the present work, fresh and spoiled wine samples from three wines produced by different companies were studied u- sing Fourier transform infrared (FTIR) spectroscopy. We analyzed the physicochemical property change in the process of spoil- age, and then, gave out the attribution of some main FTIR absorption peaks. A novel determination method was explored based on the comparisons of some absorbance ratios at different wavebands although the absorbance ratios in this method were relative. Through the compare of the wine spectra before and after spoiled, the authors found that they were informative at the bands of 3,020~2,790, 1,760~1,620 and 1,550~800 cm(-1). In order to find the relation between these informative spectral bands and the wine deterioration and achieve the discriminant analysis, chemometrics methods were introduced. Principal compounds analysis (PCA) and soft independent modeling of class analogy (SIMCA) were used for classifying different-quality wines. And partial least squares discriminant analysis (PLS-DA) was applied to identify spoiled wines and good wines. Results showed that FTIR technique combined with chemometrics methods could effectively distinguish spoiled wines from fresh samples. The effect of classification at the wave band of 1 550-800 cm(-1) was the best. The recognition rate of SIMCA and PLSDA were respectively 94% and 100%. This study demonstrates that Fourier transform infrared spectroscopy is an effective tool for monitoring red wine's spoilage and provides theoretical support for developing early-warning equipments.

Colorectal Cancer and Colitis Diagnosis Using Fourier Transform Infrared Spectroscopy and an Improved K-Nearest-Neighbour Classifier.

PubMed

Li, Qingbo; Hao, Can; Kang, Xue; Zhang, Jialin; Sun, Xuejun; Wang, Wenbo; Zeng, Haishan

2017-11-27

Combining Fourier transform infrared spectroscopy (FTIR) with endoscopy, it is expected that noninvasive, rapid detection of colorectal cancer can be performed in vivo in the future. In this study, Fourier transform infrared spectra were collected from 88 endoscopic biopsy colorectal tissue samples (41 colitis and 47 cancers). A new method, viz., entropy weight local-hyperplane k-nearest-neighbor (EWHK), which is an improved version of K-local hyperplane distance nearest-neighbor (HKNN), is proposed for tissue classification. In order to avoid limiting high dimensions and small values of the nearest neighbor, the new EWHK method calculates feature weights based on information entropy. The average results of the random classification showed that the EWHK classifier for differentiating cancer from colitis samples produced a sensitivity of 81.38% and a specificity of 92.69%.

A prototype stationary Fourier transform spectrometer for near-infrared absorption spectroscopy.

PubMed

Li, Jinyang; Lu, Dan-feng; Qi, Zhi-mei

2015-09-01

A prototype stationary Fourier transform spectrometer (FTS) was constructed with a fiber-coupled lithium niobate (LiNbO3) waveguide Mach-Zehnder interferometer (MZI) for the purpose of rapid on-site spectroscopy of biological and chemical measurands. The MZI contains push-pull electrodes for electro-optic modulation, and its interferogram as a plot of intensity against voltage was obtained by scanning the modulating voltage from -60 to +60 V in 50 ms. The power spectrum of input signal was retrieved by Fourier transform processing of the interferogram combined with the wavelength dispersion of half-wave voltage determined for the MZI used. The prototype FTS operates in the single-mode wavelength range from 1200 to 1700 nm and allows for reproducible spectroscopy. A linear concentration dependence of the absorbance at λmax = 1451 nm for water in ethanolic solution was obtained using the prototype FTS. The near-infrared spectroscopy of solid samples was also implemented, and the different spectra obtained with different materials evidenced the chemical recognition capability of the prototype FTS. To make this prototype FTS practically applicable, work on improving its spectral resolution by increasing the maximum optical path length difference is in progress.

A rheumatoid arthritis study by Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Carvalho, Carolina S.; Silva, Ana Carla A.; Santos, Tatiano J. P. S.; Martin, Airton A.; dos Santos Fernandes, Ana Célia; Andrade, Luís E.; Raniero, Leandro

2012-01-01

Rheumatoid arthritis is a systemic inflammatory disease of unknown causes and a new methods to identify it in early stages are needed. The main purpose of this work is the biochemical differentiation of sera between normal and RA patients, through the establishment of a statistical method that can be appropriately used for serological analysis. The human sera from 39 healthy donors and 39 rheumatics donors were collected and analyzed by Fourier Transform Infrared Spectroscopy. The results show significant spectral variations with p<0.05 in regions corresponding to protein, lipids and immunoglobulins. The technique of latex particles, coated with human IgG and monoclonal anti-CRP by indirect agglutination known as FR and CRP, was performed to confirm possible false-negative results within the groups, facilitating the statistical interpretation and validation of the technique.

Identification and characterization of salmonella serotypes using DNA spectral characteristics by fourier transform infrared (FT-IR) spectroscopy

USDA-ARS?s Scientific Manuscript database

Analysis of DNA samples of Salmonella serotypes (Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky) were performed using Fourier transform infrared spectroscopy (FT-IR) spectrometer by placing directly in contact with a diamond attenua...

Prepreg cure monitoring using diffuse reflectance-FTIR. [Fourier Transform Infrared Technique

NASA Technical Reports Server (NTRS)

Young, P. R.; Chang, A. C.

1984-01-01

An in situ diffuse reflectance-Fourier transform infrared technique was developed to determine infrared spectra of graphite fiber prepregs as they were being cured. A bismaleimide, an epoxy, and addition polyimide matrix resin prepregs were studied. An experimental polyimide adhesive was also examined. Samples were positioned on a small heater at the focal point of diffuse reflectance optics and programmed at 15 F/min while FTIR spectra were being scanned, averaged, and stored. An analysis of the resulting spectra provided basic insights into changes in matrix resin molecular structure which accompanied reactions such as imidization and crosslinking. An endo-exothermal isomerization involving reactive end-caps was confirmed for the addition polyimide prepregs. The results of this study contribute to a fundamental understanding of the processing of composites and adhesives. Such understanding will promote the development of more efficient cure cycles.

Detection and classification of salmonella serotypes using spectral signatures collected by fourier transform infrared (FT-IR) spectroscopy

USDA-ARS?s Scientific Manuscript database

Spectral signatures of Salmonella serotypes namely Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky were collected using Fourier transform infrared spectroscopy (FT-IR). About 5-10 µL of Salmonella suspensions with concentrations of 1...

Detailed description of oil shale organic and mineralogical heterogeneity via fourier transform infrared mircoscopy

USGS Publications Warehouse

Washburn, Kathryn E.; Birdwell, Justin E.; Foster, Michael; Gutierrez, Fernando

2015-01-01

Mineralogical and geochemical information on reservoir and source rocks is necessary to assess and produce from petroleum systems. The standard methods in the petroleum industry for obtaining these properties are bulk measurements on homogenized, generally crushed, and pulverized rock samples and can take from hours to days to perform. New methods using Fourier transform infrared (FTIR) spectroscopy have been developed to more rapidly obtain information on mineralogy and geochemistry. However, these methods are also typically performed on bulk, homogenized samples. We present a new approach to rock sample characterization incorporating multivariate analysis and FTIR microscopy to provide non-destructive, spatially resolved mineralogy and geochemistry on whole rock samples. We are able to predict bulk mineralogy and organic carbon content within the same margin of error as standard characterization techniques, including X-ray diffraction (XRD) and total organic carbon (TOC) analysis. Validation of the method was performed using two oil shale samples from the Green River Formation in the Piceance Basin with differing sedimentary structures. One sample represents laminated Green River oil shales, and the other is representative of oil shale breccia. The FTIR microscopy results on the oil shales agree with XRD and LECO TOC data from the homogenized samples but also give additional detail regarding sample heterogeneity by providing information on the distribution of mineral phases and organic content. While measurements for this study were performed on oil shales, the method could also be applied to other geological samples, such as other mudrocks, complex carbonates, and soils.

“Self-absorption” phenomenon in near-infrared Fourier transform Raman spectroscopy of cellulosic and lignocellulosic materials

Treesearch

Umesh P. Agarwal; Nancy Kawai

2005-01-01

While cellulosic and lignocellulosic materials have been studied using conventional Raman spectroscopy, availability of near-infrared (NIR) Fourier transform (FT) Raman instrumentation has made studying these materials much more convenient. This is especially true because the problem of laser-induced fluorescence can be avoided or minimized in FT- Raman (NIR Raman)...

Process control using fiber optics and Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Kemsley, E. K.; Wilson, Reginald H.

1992-03-01

A process control system has been constructed using optical fibers interfaced to a Fourier transform infrared (FT-IR) spectrometer, to achieve remote spectroscopic analysis of food samples during processing. The multichannel interface accommodates six fibers, allowing the sequential observation of up to six samples. Novel fiber-optic sampling cells have been constructed, including transmission and attenuated total reflectance (ATR) designs. Different fiber types have been evaluated; in particular, plastic clad silica (PCS) and zirconium fluoride fibers. Processes investigated have included the dilution of fruit juice concentrate, and the addition of alcohol to fruit syrup. Suitable algorithms have been written which use the results of spectroscopic measurements to control and monitor the course of each process, by actuating devices such as valves and switches.

High-definition Fourier transform infrared spectroscopic imaging of prostate tissue

NASA Astrophysics Data System (ADS)

Wrobel, Tomasz P.; Kwak, Jin Tae; Kadjacsy-Balla, Andre; Bhargava, Rohit

2016-03-01

Histopathology forms the gold standard for cancer diagnosis and therapy, and generally relies on manual examination of microscopic structural morphology within tissue. Fourier-Transform Infrared (FT-IR) imaging is an emerging vibrational spectroscopic imaging technique, especially in a High-Definition (HD) format, that provides the spatial specificity of microscopy at magnifications used in diagnostic surgical pathology. While it has been shown for standard imaging that IR absorption by tissue creates a strong signal where the spectrum at each pixel is a quantitative "fingerprint" of the molecular composition of the sample, here we show that this fingerprint also enables direct digital pathology without the need for stains or dyes for HD imaging. An assessment of the potential of HD imaging to improve diagnostic pathology accuracy is presented.

Detection and measurement of electroreflectance on quantum cascade laser device using Fourier transform infrared microscope

DOE Office of Scientific and Technical Information (OSTI.GOV)

Enobio, Eli Christopher I.; Ohtani, Keita; Ohno, Yuzo

2013-12-02

We demonstrate the use of a Fourier Transform Infrared microscope system to detect and measure electroreflectance (ER) from mid-infrared quantum cascade laser (QCL) device. To characterize intersubband transition (ISBT) energies in a functioning QCL device, a microscope is used to focus the probe on the QCL cleaved mirror. The measured ER spectra exhibit resonance features associated to ISBTs under applied electric field in agreement with the numerical calculations and comparable to observed photocurrent, and emission peaks. The method demonstrates the potential as a characterization tool for QCL devices.

Diffuse-reflectance fourier-transform mid-infrared spectroscopy as a method of characterizing changes in soil organic matter

USDA-ARS?s Scientific Manuscript database

Diffuse-Reflectance Fourier-Transform Mid-Infrared Spectroscopy (MidIR) can identify the presence of important organic functional groups in soil organic matter (SOM). Soils contain myriad organic and inorganic components that absorb in the MidIR so spectral interpretation needs to be validated in or...

Secondary cell wall development in cotton fibers as examined with attenuated total reflection Fourier transform infrared spectroscopy

USDA-ARS?s Scientific Manuscript database

Cotton fibers harvested at 18, 20, 24, 28, 32, 36 and 40 days after flowering were examined using attenuated total reflection Fourier transform-infrared (ATR FT-IR) spectroscopy. The selected harvesting points coincide with secondary cell wall (SCW) development in the fibers. Progressive but moderat...

Examinations of the matrix isolation fourier transform infrared spectra of organic compounds: Part XII

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coleman, W. M., III; Gordon, B. M.; Lawrence, B. M.

1989-02-01

Matrix isolation Fourier transform infrared spectra (MI/FT-IR), massspectra (MS), carbon-13 Nuclear Magnetic Resonance (/sup 13/C-NMR) spectra,condensed-phase infrared spectra, and vapor-phase infrared (IR)spectra are presented for a series of terpene compounds. Subtle differencesin positional and configurational isomers commonly found withterpenes could be easily detected by the MI/FT-IR spectra. The resultsare comparable in some aspects to those obtainable from /sup 13/C-NMR andthin-film IR; however, most importantly, they are acquired at the lownanogram level for MI/FT-IR, as compared to the milligram level forthe other techniques. These results represent an advance in the technologyavailable for the analysis of complex mixtures such as essential oilscontainingmore » terpene-like molecules.« less

Functional biocompatible magnetite-cellulose nanocomposite fibrous networks: Characterization by fourier transformed infrared spectroscopy, X-ray powder diffraction and field emission scanning electron microscopy analysis.

PubMed

Habibi, Neda

2015-02-05

The preparation and characterization of functional biocompatible magnetite-cellulose nano-composite fibrous material is described. Magnetite-cellulose nano-composite was prepared by a combination of the solution-based formation of magnetic nano-particles and subsequent coating with amino celluloses. Characterization was accomplished using X-ray powder diffraction (XRD), fourier transformed infrared (FTIR) and field emission scanning electron microscopy (FESEM) analysis. The peaks of Fe3O4 in the XRD pattern of nanocomposite confirm existence of the nanoparticles in the amino cellulose matrix. Magnetite-cellulose particles exhibit an average diameter of roughly 33nm as demonstrated by field emission scanning electron microscopy. Magnetite nanoparticles were irregular spheres dispersed in the cellulose matrix. The vibration corresponding to the NCH3 functional group about 2850cm(-1) is assigned in the FTIR spectra. Functionalized magnetite-cellulose nano-composite polymers have a potential range of application as targeted drug delivery system in biomedical field. Copyright © 2014 Elsevier B.V. All rights reserved.

Fourier-transform infrared spectroscopy (FTIR) analysis of triclinic and hexagonal birnessites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ling, Florence T.; Post, Jeffrey E.; Heaney, Peter J.

The characterization of birnessite structures is particularly challenging for poorly crystalline materials of biogenic origin, and a determination of the relative concentrations of triclinic and hexagonal birnessite in a mixed assemblage has typically required synchrotron-based spectroscopy and diffraction approaches. In this study, Fourier-transform infrared spectroscopy (FTIR) is demonstrated to be capable of differentiating synthetic triclinic Na-birnessite and synthetic hexagonal H-birnessite. Furthermore, IR spectral deconvolution of peaks resulting from Mnsingle bondO lattice vibrations between 400 and 750 cm - 1 yield results comparable to those obtained by linear combination fitting of synchrotron X-ray absorption fine structure (EXAFS) data when applied tomore » known mixtures of triclinic and hexagonal birnessites. Density functional theory (DFT) calculations suggest that an infrared absorbance peak at ~ 1628 cm - 1 may be related to OH vibrations near vacancy sites. The integrated intensity of this peak may show sensitivity to vacancy concentrations in the Mn octahedral sheet for different birnessites.« less

Imaging open-path Fourier transform infrared spectrometer for 3D cloud profiling

NASA Astrophysics Data System (ADS)

Rentz Dupuis, Julia; Mansur, David J.; Vaillancourt, Robert; Carlson, David; Evans, Thomas; Schundler, Elizabeth; Todd, Lori; Mottus, Kathleen

2009-05-01

OPTRA is developing an imaging open-path Fourier transform infrared (I-OP-FTIR) spectrometer for 3D profiling of chemical and biological agent simulant plumes released into test ranges and chambers. An array of I-OP-FTIR instruments positioned around the perimeter of the test site, in concert with advanced spectroscopic algorithms, enables real time tomographic reconstruction of the plume. The approach is intended as a referee measurement for test ranges and chambers. This Small Business Technology Transfer (STTR) effort combines the instrumentation and spectroscopic capabilities of OPTRA, Inc. with the computed tomographic expertise of the University of North Carolina, Chapel Hill.

Differentiation and detection of microorganisms using Fourier transform infrared photoacoustic spectroscopy

NASA Astrophysics Data System (ADS)

Irudayaraj, Joseph; Yang, Hong; Sakhamuri, Sivakesava

2002-03-01

Fourier transform infrared photoacoustic spectroscopy (FTIR-PAS) was used to differentiate and identify microorganisms on a food (apple) surface. Microorganisms considered include bacteria (Lactobacillus casei, Bacillus cereus, and Escherichia coli), yeast (Saccharomyces cerevisiae), and fungi (Aspergillus niger and Fusarium verticilliodes). Discriminant analysis was used to differentiate apples contaminated with the different microorganisms from uncontaminated apple. Mahalanobis distances were calculated to quantify the differences. The higher the value of the Mahalanobis distance metric between different microorganisms, the greater is their difference. Additionally, pathogenic (O157:H7) E. coli was successfully differentiated from non-pathogenic strains. Results demonstrate that FTIR-PAS spectroscopy has the potential to become a non-destructive analysis tool in food safety related research.

Fourier Transform Infrared Imaging analysis of dental pulp inflammatory diseases.

PubMed

Giorgini, E; Sabbatini, S; Conti, C; Rubini, C; Rocchetti, R; Fioroni, M; Memè, L; Orilisi, G

2017-05-01

Fourier Transform Infrared microspectroscopy let characterize the macromolecular composition and distribution of tissues and cells, by studying the interaction between infrared radiation and matter. Therefore, we hypothesize to exploit this analytical tool in the analysis of inflamed pulps, to detect the different biochemical features related to various degrees of inflammation. IR maps of 13 irreversible and 12 hyperplastic pulpitis, together with 10 normal pulps, were acquired, compared with histological findings and submitted to multivariate (HCA, PCA, SIMCA) and statistical (one-way ANOVA) analysis. The fit of convoluted bands let calculate meaningful band area ratios (means ± s.d., P < 0.05). The infrared imaging analysis pin-pointed higher amounts of water and lower quantities of type I collagen in all inflamed pulps. Specific vibrational markers were defined for irreversible pulpitis (Lipids/Total Biomass, PhII/Total Biomass, CH 2 /CH 3 , and Ty/AII) and hyperplastic ones (OH/Total Biomass, Collagen/Total Biomass, and CH 3 Collagen/Total Biomass). The study confirmed that FTIR microspectroscopy let discriminate tissues' biological features. The infrared imaging analysis evidenced, in inflamed pulps, alterations in tissues' structure and composition. Changes in lipid metabolism, increasing amounts of tyrosine, and the occurrence of phosphorylative processes were highlighted in irreversible pulpitis, while high amounts of water and low quantities of type I collagen were detected in hyperplastic samples. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Solubilization of spider silk proteins and its structural analysis using Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Osbin, K.; Jayan, Manuel; Bhadrakumari, S.; Predeep, P.

2017-06-01

This study investigates the presence of various amide bands present in different spider silk species, which provides extraordinary physical properties. Three different spider silks were collected from Western Ghats region. The collected spider silks samples belonging to the spider Heteropoda venatoria (species 1), Hersilia savignyi (species 2) and Pholcus phalangioides (species 3). Fourier transform infrared (FTIR) spectra reveals the protein peaks in the amide I, II, and III regions in all the three types of spider silk species.

Application of micro-Fourier transform infrared spectroscopy to the examination of paint samples

NASA Astrophysics Data System (ADS)

Zięba-Palus, J.

1999-11-01

The examination and identification of automobile paints is an important problem in road accidents investigations. Since the real sample available is very small, only sensitive microtechniques can be applied. The methods of optical microscopy and micro-Fourier transform infrared spectroscopy (MK-FTIR) supported by scanning electron microscopy together with X-ray microanalysis (SEM-EDX) allow one to carry out the examination of each paint layer without any separation procedure. In this paper an attempt is made to discriminate between different automobile paints of the same colour by the use of these methods for criminalistic investigations.

Comparison and validation of Fourier transform infrared spectroscopic methods for monitoring secondary cell wall cellulose from cotton fibers

USDA-ARS?s Scientific Manuscript database

The amount of secondary cell wall (SCW) cellulose in the fiber affects the quality and commercial value of cotton. Accurate assessments of SCW cellulose are essential for improving cotton fibers. Fourier Transform Infrared (FT-IR) spectroscopy enables distinguishing SCW from other cell wall componen...

Multipass open-path Fourier-transform infrared measurements for nonintrusive monitoring of gas turbine exhaust composition.

PubMed

Schäfer, Klaus; Brockmann, Klaus; Heland, Jörg; Wiesen, Peter; Jahn, Carsten; Legras, Olivier

2005-04-10

The detection limits for NO and NO2 in turbine exhausts by nonintrusive monitoring have to be improved. Multipass mode Fourier-transform infrared (FTIR) absorption spectrometry and use of a White mirror system were found from a sensitivity study with spectra simulations in the mid-infrared to be essential for the retrieval of NO2 abundances. A new White mirror system with a parallel infrared beam was developed and tested successfully with a commercial FTIR spectrometer in different turbine test beds. The minimum detection limits for a typical turbine plume of 50 cm in diameter are approximately 6 parts per million (ppm) for NO and 9 ppm for NO2 (as well 100 ppm for CO2 and 4 ppm for CO).

Fourier transform infrared emission spectra of MnH and MnD

NASA Astrophysics Data System (ADS)

Gordon, Iouli E.; Appadoo, Dominique R. T.; Shayesteh, Alireza; Walker, Kaley A.; Bernath, Peter F.

2005-01-01

Fourier transform infrared emission spectra of MnH and MnD were observed in the ground X7Σ + electronic state. The vibration-rotation bands from v = 1 → 0 to v = 3 → 2 for MnH and from v = 1 → 0 to v = 4 → 3 for MnD were recorded at an instrumental resolution of 0.0085 cm -1. Spectroscopic constants were determined for each vibrational level and equilibrium constants were found from a Dunham-type fit. The equilibrium vibrational constant ( ωe) for MnH was found to be 1546.84518(65) cm -1, the equilibrium rotational constant ( Be) is 5.6856789(103) cm -1 and the eqilibrium bond distance ( re) was determined to be 1.7308601(47) Å.

Analysis of Fusarium mycotoxins by gas chromatography--Fourier transform infrared spectroscopy.

PubMed

Young, J C; Games, D E

1994-03-11

The Fourier transform infrared (FTIR) spectra of selected Fusarium mycotoxins of various structure types were determined. Absorptions were observed for the following functionalities: hydroxyl at 3625-65 cm-1 and 3482 cm-1, the latter being associated with a 7 alpha-hydroxyl adjacent to an 8-carbonyl in keto trichothecenes; carbonyl at 1760-6 cm-1 for 5-membered rings and at 1695-8 cm-1 for those conjugated to a single C = C in a six-membered ring; acetate carbonyl at 1765 cm-1 and acetate C-O at 1220-9 cm-1; and C = C at 1680 cm-1. Gas chromatography combined with FTIR and mass spectrometry was applied to the identification of some mycotoxins in a F. roseum liquid culture extract.

[Identification of different Citrus sinensis (L.) Osbeck trees varieties using Fourier transform infrared spectroscopy and hierarchical cluster analysis].

PubMed

Yi, Shi-Lai; Deng, Lie; He, Shao-Lan; Shi, You-Ming; Zheng, Yong-Qiang; Lu, Qiang; Xie, Rang-Jin; Wei, Xian-Guoi; Li, Song-Wei; Jian, Shui-Xian

2012-11-01

Researched on diversity of the spring leaf samples of seven different Citrus sinensis (L.) Osbeck varieties by Fourier transform infrared (FTIR) spectroscopy technology, the results showed that the Fourier transform infrared spectra of seven varieties leaves was composited by the absorption band of cellulose and polysaccharide mainly, the wave number of characteristics absorption peaks were similar at their FTIR spectra. However, there were some differences in shape of peaks and relatively absorption intensity. The conspicuous difference was presented at the region between 1 500 and 700 cm(-1) by second derivative spectra. Through the hierarchical cluster analysis (HCA) of second derivative spectra between 1 500 and 700 cm(-1), the results showed that the clustering of the different varieties of Citrus sinensis (L.) Osbeck varieties was classification according to genetic relationship. The results showed that FTIR spectroscopy combined with hierarchical cluster analysis could be used to identify and classify of citrus varieties rapidly, it was an extension method to study on early leaves of varieties orange seedlings.

CHARACTERIZATION OF AMBIENT PM2.5 AEROSOL AT A SOUTHEASTERN US SITE: FOURIER TRANSFORM INFRARED ANALYSIS OR PARTICLE PHASE

EPA Science Inventory

During a field study in the summer of 2000 in the Research Triangle Park (RTP), aerosol samples were collected using a five stage cascade impactor and subsequently analyzed using Fourier Transform Infrared Spectroscopy (FTIR). The impaction surfaces were stainless steel disks....

Determination of Carbon Dioxide, Carbon Monoxide, and Methane Concentrations in Cigarette Smoke by Fourier Transform Infrared Spectroscopy

ERIC Educational Resources Information Center

Tan, T. L.; Lebron, G. B.

2012-01-01

The integrated absorbance areas of vibrational bands of CO[subscript 2], CO, and CH[subscript 4] gases in cigarette smoke were measured from Fourier transform infrared (FTIR) spectra to derive the partial pressures of these gases at different smoke times. The quantity of the three gas-phase components of cigarette smoke at different smoke times…

Fourier Transform Infrared Analysis of Urinary Calculi and Metabolic Studies in a Group of Sicilian Children.

PubMed

D'Alessandro, Maria Michela; Gennaro, Giuseppe; Tralongo, Pietro; Maringhini, Silvio

2017-05-01

Prevalence of urinary calculi in children has been increasing in the past years. We performed an analysis of the chemical composition of stones formers of the pediatric population in our geographical area over the years 2005 to 2013. Fourier transform infrared spectroscopy was employed for the determination of the calculus composition of a group of Sicilian children, and metabolic studies were performed to formulate the correct diagnosis and establish therapy. The prevalence of stone formation was much higher for boys than for girls, with a sex ratio of 1.9:1. The single most frequent component was found to be calcium oxalate monohydrate, and calcium oxalates (pure or mixed calculi) were the overall most frequent components. Calcium phosphates ranked 2nd for frequency, most often in mixed calculi, while urates ranked 3rd. The metabolic disorder most often associated with pure calcium oxalate monohydrate calculi was hypocitraturia, while hyperoxaluria was predominantly associated with calcium oxalate dihydrate calculi. Mixed calculi had the highest prevalence in our pediatric population. Our data showed that Fourier transform infrared spectroscopy was a useful tool for the determination of the calculi composition.

Gastric cancer differentiation using Fourier transform near-infrared spectroscopy with unsupervised pattern recognition

NASA Astrophysics Data System (ADS)

Yi, Wei-song; Cui, Dian-sheng; Li, Zhi; Wu, Lan-lan; Shen, Ai-guo; Hu, Ji-ming

2013-01-01

The manuscript has investigated the application of near-infrared (NIR) spectroscopy for differentiation gastric cancer. The 90 spectra from cancerous and normal tissues were collected from a total of 30 surgical specimens using Fourier transform near-infrared spectroscopy (FT-NIR) equipped with a fiber-optic probe. Major spectral differences were observed in the CH-stretching second overtone (9000-7000 cm-1), CH-stretching first overtone (6000-5200 cm-1), and CH-stretching combination (4500-4000 cm-1) regions. By use of unsupervised pattern recognition, such as principal component analysis (PCA) and cluster analysis (CA), all spectra were classified into cancerous and normal tissue groups with accuracy up to 81.1%. The sensitivity and specificity was 100% and 68.2%, respectively. These present results indicate that CH-stretching first, combination band and second overtone regions can serve as diagnostic markers for gastric cancer.

Fourier transform infrared spectroscopic study of intact cells of the nitrogen-fixing bacterium Azospirillum brasilense

NASA Astrophysics Data System (ADS)

Kamnev, A. A.; Ristić, M.; Antonyuk, L. P.; Chernyshev, A. V.; Ignatov, V. V.

1997-06-01

The data of Fourier transform infrared (FTIR) spectroscopic measurements performed on intact cells of the soil nitrogen-fixing bacterium Azospirillum brasilense grown in a standard medium and under the conditions of an increased metal uptake are compared and discussed. The structural FTIR information obtained is considered together with atomic absorption spectrometry (AAS) data on the content of metal cations in the bacterial cells. Some methodological aspects concerning preparation of bacterial cell samples for FTIR measurements are also discussed.

Quantitative characterization of chitosan in the skin by Fourier-transform infrared spectroscopic imaging and ninhydrin assay: application in transdermal sciences.

PubMed

Nawaz, A; Wong, T W

2016-07-01

The chitosan has been used as the primary excipient in transdermal particulate dosage form design. Its distribution pattern across the epidermis and dermis is not easily accessible through chemical assay and limited to radiolabelled molecules via quantitative autoradiography. This study explored Fourier-transform infrared spectroscopy imaging technique with built-in microscope as the means to examine chitosan molecular distribution over epidermis and dermis with the aid of histology operation. Fourier-transform infrared spectroscopy skin imaging was conducted using chitosan of varying molecular weights, deacetylation degrees, particle sizes and zeta potentials, obtained via microwave ligation of polymer chains at solution state. Both skin permeation and retention characteristics of chitosan increased with the use of smaller chitosan molecules with reduced acetyl content and size, and increased positive charge density. The ratio of epidermal to dermal chitosan content decreased with the use of these chitosan molecules as their accumulation in dermis (3.90% to 18.22%) was raised to a greater extent than epidermis (0.62% to 1.92%). A larger dermal chitosan accumulation nonetheless did not promote the transdermal polymer passage more than the epidermal chitosan. A small increase in epidermal chitosan content apparently could fluidize the stratum corneum and was more essential to dictate molecular permeation into dermis and systemic circulation. The histology technique aided Fourier-transform infrared spectroscopy imaging approach introduces a new dimension to the mechanistic aspect of chitosan in transdermal delivery. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

HIGH-RESOLUTION FOURIER TRANSFORM SPECTROSCOPY OF Nb i IN THE NEAR-INFRARED

DOE Office of Scientific and Technical Information (OSTI.GOV)

Er, A.; Güzelçimen, F.; Başar, Gö.

In this study, a Fourier Transform spectrum of Niobium (Nb) is investigated in the near-infrared spectral range from 6000 to 12,000 cm{sup −1} (830–1660 nm). The Nb spectrum is produced using a hollow cathode discharge lamp in an argon atmosphere. Both Nb and Ar spectral lines are visible in the spectrum. A total of 110 spectral lines are assigned to the element Nb. Of these lines, 90 could be classified as transitions between known levels of atomic Nb. From these classified Nb i transitions, 27 have not been listed in literature previously. Additionally, 8 lines are classified for the firstmore » time.« less

Methodological effects in Fourier transform infrared (FTIR) spectroscopy: Implications for structural analyses of biomacromolecular samples

NASA Astrophysics Data System (ADS)

Kamnev, Alexander A.; Tugarova, Anna V.; Dyatlova, Yulia A.; Tarantilis, Petros A.; Grigoryeva, Olga P.; Fainleib, Alexander M.; De Luca, Stefania

2018-03-01

A set of experimental data obtained by Fourier transform infrared (FTIR) spectroscopy (involving the use of samples ground and pressed with KBr, i.e. in a polar halide matrix) and by matrix-free transmission FTIR or diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic methodologies (involving measurements of thin films or pure powdered samples, respectively) were compared for several different biomacromolecular substances. The samples under study included poly-3-hydroxybutyrate (PHB) isolated from cell biomass of the rhizobacterium Azospirillum brasilense; dry PHB-containing A. brasilense biomass; pectin (natural carboxylated heteropolysaccharide of plant origin; obtained from apple peel) as well as its chemically modified derivatives obtained by partial esterification of its galacturonide-chain hydroxyl moieties with palmitic, oleic and linoleic acids. Significant shifts of some FTIR vibrational bands related to polar functional groups of all the biomacromolecules under study, induced by the halide matrix used for preparing the samples for spectroscopic measurements, were shown and discussed. A polar halide matrix used for preparing samples for FTIR measurements was shown to be likely to affect band positions not only per se, by affecting band energies or via ion exchange (e.g., with carboxylate moieties), but also by inducing crystallisation of metastable amorphous biopolymers (e.g., PHB of microbial origin). The results obtained have important implications for correct structural analyses of polar, H-bonded and/or amphiphilic biomacromolecular systems using different methodologies of FTIR spectroscopy.

[Apply fourier transform infrared spectra coupled with two-dimensional correlation analysis to study the evolution of humic acids during composting].

PubMed

Bu, Gui-jun; Yu, Jing; Di, Hui-hui; Luo, Shi-jia; Zhou, Da-zhai; Xiao, Qiang

2015-02-01

The composition and structure of humic acids formed during composting play an important influence on the quality and mature of compost. In order to explore the composition and evolution mechanism, municipal solid wastes were collected to compost and humic and fulvic acids were obtained from these composted municipal solid wastes. Furthermore, fourier transform infrared spectra and two-dimensional correlation analysis were applied to study the composition and transformation of humic and fulvic acids during composting. The results from fourier transform infrared spectra showed that, the composition of humic acids was complex, and several absorbance peaks were observed at 2917-2924, 2844-2852, 2549, 1662, 1622, 1566, 1454, 1398, 1351, 990-1063, 839 and 711 cm(-1). Compared to humic acids, the composition of fulvci acids was simple, and only three peaks were detected at 1725, 1637 and 990 cm(-1). The appearance of these peaks showed that both humic and fulvic acids comprised the benzene originated from lignin and the polysaccharide. In addition, humic acids comprised a large number of aliphatic and protein which were hardly detected in fulvic acids. Aliphatic, polysaccharide, protein and lignin all were degraded during composting, however, the order of degradation was different between humic and fulvci acids. The result from two-dimensional correlation analysis showed that, organic compounds in humic acids were degraded in the following sequence: aliphatic> protein> polysaccharide and lignin, while that in fulvic acids was as following: protein> polysaccharide and aliphatic. A large number of carboxyl, alcohols and ethers were formed during the degradation process, and the carboxyl was transformed into carbonates. It can be concluded that, fourier transform infrared spectra coupled with two-dimensional correlation analysis not only can analyze the function group composition of humic substances, but also can characterize effectively the degradation sequence of these

Kinetics of lisinopril intramolecular cyclization in solid phase monitored by Fourier transform infrared microscopy.

PubMed

Widjaja, Effendi; Tan, Wei Jian

2008-08-01

The solid-state intramolecular cyclization of lisinopril to diketopiperazine was investigated by in situ Fourier transform infrared (FT-IR) microscopy. Using a controllable heating cell, the isothermal transformation was monitored in situ at 147.5, 150, 152.5, 155, and 157.5 degrees C. The collected time-dependent FT-IR spectra at each isothermal temperature were preprocessed and analyzed using a multivariate chemometric approach. The pure component spectra of the observable component (lisinopril and diketopiperazine) were resolved and their time-dependent relative contributions were also determined. Model-free and various model fitting methods were implemented in the kinetic analysis to estimate the activation energy of the intramolecular cyclization reaction. Arrhenius plots indicate that the activation energy is circa 327 kJ/mol.

Analysis of bacteria on steel surfaces using reflectance micro-Fourier transform infrared spectroscopy.

PubMed

Ojeda, Jesús J; Romero-González, María E; Banwart, Steven A

2009-08-01

Reflectance micro-Fourier transform infrared (FT-IR) analysis has been applied to characterize biofilm formation of Aquabacterium commune, a common microorganism present on drinking water distribution systems, onto the increasingly popular pipe material stainless steel EN1.4307. The applicability of the reflectance micro-FT-IR technique for analyzing the bacterial functional groups is discussed, and the results are compared to spectra obtained using more conventional FT-IR techniques: transmission micro-FT-IR, attenuated transmitted reflectance (ATR), and KBr pellets. The differences between the infrared spectra of wet and dried bacteria, as well as free versus attached bacteria, are also discussed. The spectra obtained using reflectance micro-FT-IR spectroscopy were comparable to those obtained using other FT-IR techniques. The absence of sample preparation, the potential to analyze intact samples, and the ability to characterize opaque and thick samples without the need to transfer the bacterial samples to an infrared transparent medium or produce a pure culture were the main advantages of reflectance micro-FT-IR spectroscopy.

Fourier transform infrared and Raman spectroscopic characterization of homogeneous solution concentration gradients near a container wall at different temperatures

NASA Technical Reports Server (NTRS)

Loo, B. H.; Burns, D. H.; Lee, Y. G. L.; Emerson, M. T.

1991-01-01

Fourier transform infrared (FTIR) and Raman spectroscopic techniques were used to study the solution concentration gradient in succino nitrile-rich and water-rich homogeneous solutions. The spectroscopic data shows significant concentration dependency. Although FTIR-attenuated total reflectance could not yield surface spectra since the evanescent infrared wave penetrated deep into the bulk solution, it showed that water-rich clusters were decreased at higher temperatures. This result is consistent with the calorimetric results reported earlier.

Supercritical Fluid Chromatography/Fourier Transform Infrared Spectroscopy Of Food Components

NASA Astrophysics Data System (ADS)

Calvey, Elizabeth M.; Page, Samuel W.; Taylor, Larry T.

1989-12-01

Supercritical fluid (SF) technologies are being investigated extensively for applications in food processing. The number of SF-related patents issued testifies to the level of interest. Among the properties of materials at temperatures and pressures above their critical points (supercritical fluids) is density-dependent solvating power. Supercritical CO2 is of particular interest to the food industry because of its low critical temperature (31.3°C) and low toxicity. Many of the components in food matrices react or degrade at elevated temperatures and may be adversely affected by high temperature extractions. Likewise, these components may not be amenable to GC analyses. Our SF research has been in the development of methods employing supercritical fluid chromatography (SFC) and extraction (SFE) coupled to a Fourier transform infrared (FT-IR) spectrometer to investigate food composition. The effects of processing techniques on the isomeric fatty acid content of edible oils and the analysis of lipid oxidation products using SFC/FT-IR with a flow-cell interface are described.

Electro-optic imaging Fourier transform spectrometer

NASA Technical Reports Server (NTRS)

Chao, Tien-Hsin (Inventor); Znod, Hanying (Inventor)

2009-01-01

An Electro-Optic Imaging Fourier Transform Spectrometer (EOIFTS) for Hyperspectral Imaging is described. The EOIFTS includes an input polarizer, an output polarizer, and a plurality of birefringent phase elements. The relative orientations of the polarizers and birefringent phase elements can be changed mechanically or via a controller, using ferroelectric liquid crystals, to substantially measure the spectral Fourier components of light propagating through the EIOFTS. When achromatic switches are used as an integral part of the birefringent phase elements, the EIOFTS becomes suitable for broadband applications, with over 1 micron infrared bandwidth.

Quantification of DNA in simple eukaryotic cells using Fourier transform infrared spectroscopy.

PubMed

Whelan, Donna R; Bambery, Keith R; Puskar, Ljiljana; McNaughton, Don; Wood, Bayden R

2013-10-01

A technique capable of detecting and monitoring nucleic acid concentration offers potential in diagnosing cancer and further developing an understanding of the biochemistry of disease. The application of Fourier transform infrared (FTIR) spectroscopy has previously been hindered by the supposed non-Beer-Lambert absorption behavior of DNA in intact cells making elucidation of the DNA bands difficult. We use known composition DNA/hemoglobin standards to successfully estimate the DNA content in avian erythrocyte nuclei (44.2%) and intact erythrocytes (12.8%). Furthermore we demonstrate that the absorption of cellular DNA does follow the Beer-Lambert Law and highlights the role of conformation and hydration in FTIR spectroscopy of biological samples. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterization of southern yellow pine bark layers by Attenuated Total Reflectance (ATR) and Fourier Transform Infrared (FT-IR) Spectroscopy

Treesearch

Thomas L. Eberhardt

2009-01-01

The outer bark (rhytidome) of the southern yellow pines is a complex structure comprised of alternating layers of obliterated phloem and periderm tissues, with the latter comprised of three layers, those being phellem, phellogen, and phelloderm. An attenuated total reflectance (ATR) sampling accessory, coupled with a Fourier transform infrared (FTIR) spectrometer,...

Identification of geographical origin of Lignosus samples using Fourier transform infrared and two-dimensional infrared correlation spectroscopy

NASA Astrophysics Data System (ADS)

Choong, Yew-Keong; Xu, Chang-Hua; Lan, Jin; Chen, Xiang-Dong; Jamal, Jamia Azdina

2014-07-01

Lignosus spp. is a medicinal mushroom that has been used as a folk remedy for 'clearing heat', eliminating phlegm, 'moistening the lungs' and as an anti-breast cancer agent. The objective of this study was to identify the active chemical constituents of the mushroom limited number of sample by using Fourier transform infrared (FTIR) and two-dimensional correlation Fourier transform infrared spectroscopy (2DIR). The sample M26/08 was purchased from a Chinese medicine shop in Kuala Lumpur, while M49/07 and M23/08 were collected from Semenyih and Kuala Lipis respectively. The three samples have strong absorption peaks corresponding to the stretching vibration of conjugated carbonyl Cdbnd O group. Both fresh sample M49/07 and M23/08 showed an identical peak of 1655 cm-1, whereby M26/08 contained stretching vibration of 1648 cm-1. The peaks from 1260 cm-1 onwards were assignation of carbohydrate content including saccharides. Spectrum of M26/08 showed region from 1260 cm-1 to 950 cm-1 which was 99.4% similar to M23/08. The chemical constitutes of M26/08 and M23/08 were closely correlated (r = 0.97), whereas the correlation coefficient of M26/08 and M49/07 was 0.94. The use of second derivative and 2DIR spectroscopy enhanced the distinct differences to a more significant level. Although the geographical origin of M26/08 was unknown, its origin was determined by comparing with M49/07 and M23/08. The visual and colorful 2DIR spectra provided dynamic structural information of the chemical components analyzed and demonstrated a powerful and useful approach using the spectroscopy of different samples.

APPLICATION OF STANDARDIZED QUALITY CONTROL PROCEDURES TO OPEN-PATH FOURIER TRANSFORM INFRARED DATA COLLECTED AT A CONCENTRATED SWINE PRODUCTION FACILITY

EPA Science Inventory

Open-path Fourier transform infrared (OP/FT-IR) spectrometry was used to measure the concentrations of ammonia, methane, and other atmospheric eases at a concentrated swine production facility. A total of 2200 OP/FT-IR spectra were acquired along nine different monitoring paths d...

Corroded surface roughness of copper analyzed by Fourier transform infrared mapping microscopy and optical profilometric study.

PubMed

Kasperek, J; Lefez, B; Beucher, E

2004-02-01

This study shows the effects of roughness on infrared spectra shapes of thin corrosion products on metallic substrates. The calculated spectra show that the baseline is mainly affected by increasing roughness and that such effects do not shift the position of the absorption bands. The model obtained has been used to extract data of artificial patina on a copper surface. Surface defects of copper substrates can be distinguished on the whole surface, from the morphological and chemical points of view, using optical profilometry and infrared microspectroscopy. An homogeneous layer of cuprite covers the surface except in the linear defects. Fourier transform infrared (FT-IR) analysis indicates that a mixture of atacamite and clinoatacamite is mainly located in these scratches. The width of these particular areas is in good agreement with profilometric observations.

[Application of Fourier transform attenuated total reflection infrared spectroscopy in analysis of pulp and paper industry].

PubMed

Zhang, Yong; Cao, Chun-yu; Feng, Wen-ying; Xu, Ming; Su, Zhen-hua; Liu, Xiao-meng; Lü, Wei-jun

2011-03-01

As one of the most powerful tools to investigate the compositions of raw materials and the property of pulp and paper, infrared spectroscopy has played an important role in pulp and paper industry. However, the traditional transmission infrared spectroscopy has not met the requirements of the producing processes because of its disadvantages of time consuming and sample destruction. New technique would be needed to be found. Fourier transform attenuated total reflection infrared spectroscopy (ATR-FTIR) is an advanced spectroscopic tool for nondestructive evaluation and could rapidly, accurately estimate the production properties of each process in pulp and paper industry. The present review describes the application of ATR-FTIR in analysis of pulp and paper industry. The analysis processes will include: pulping, papermaking, environmental protecting, special processing and paper identifying.

Monitoring light-induced structural changes of Channelrhodopsin-2 by UV-visible and Fourier transform infrared spectroscopy.

PubMed

Ritter, Eglof; Stehfest, Katja; Berndt, Andre; Hegemann, Peter; Bartl, Franz J

2008-12-12

Channelrhodopsin-2 (ChR2) is a microbial type rhodopsin and a light-gated cation channel that controls phototaxis in Chlamydomonas. We expressed ChR2 in COS-cells, purified it, and subsequently investigated this unusual photoreceptor by flash photolysis and UV-visible and Fourier transform infrared difference spectroscopy. Several transient photoproducts of the wild type ChR2 were identified, and their kinetics and molecular properties were compared with those of the ChR2 mutant E90Q. Based on the spectroscopic data we developed a model of the photocycle comprising six distinguishable intermediates. This photocycle shows similarities to the photocycle of the ChR2-related Channelrhodopsin of Volvox but also displays significant differences. We show that molecular changes include retinal isomerization, changes in hydrogen bonding of carboxylic acids, and large alterations of the protein backbone structure. These alterations are stronger than those observed in the photocycle of other microbial rhodopsins like bacteriorhodopsin and are related to those occurring in animal rhodopsins. UV-visible and Fourier transform infrared difference spectroscopy revealed two late intermediates with different time constants of tau = 6 and 40 s that exist during the recovery of the dark state. The carboxylic side chain of Glu(90) is involved in the slow transition. The molecular changes during the ChR2 photocycle are discussed with respect to other members of the rhodopsin family.

Monitoring Light-induced Structural Changes of Channelrhodopsin-2 by UV-visible and Fourier Transform Infrared Spectroscopy*

PubMed Central

Ritter, Eglof; Stehfest, Katja; Berndt, Andre; Hegemann, Peter; Bartl, Franz J.

2008-01-01

Channelrhodopsin-2 (ChR2) is a microbial type rhodopsin and a light-gated cation channel that controls phototaxis in Chlamydomonas. We expressed ChR2 in COS-cells, purified it, and subsequently investigated this unusual photoreceptor by flash photolysis and UV-visible and Fourier transform infrared difference spectroscopy. Several transient photoproducts of the wild type ChR2 were identified, and their kinetics and molecular properties were compared with those of the ChR2 mutant E90Q. Based on the spectroscopic data we developed a model of the photocycle comprising six distinguishable intermediates. This photocycle shows similarities to the photocycle of the ChR2-related Channelrhodopsin of Volvox but also displays significant differences. We show that molecular changes include retinal isomerization, changes in hydrogen bonding of carboxylic acids, and large alterations of the protein backbone structure. These alterations are stronger than those observed in the photocycle of other microbial rhodopsins like bacteriorhodopsin and are related to those occurring in animal rhodopsins. UV-visible and Fourier transform infrared difference spectroscopy revealed two late intermediates with different time constants of τ = 6 and 40 s that exist during the recovery of the dark state. The carboxylic side chain of Glu90 is involved in the slow transition. The molecular changes during the ChR2 photocycle are discussed with respect to other members of the rhodopsin family. PMID:18927082

Fourier transform infrared spectroscopy of 2'-deoxycytidine aggregates in CDCl3 solutions

NASA Astrophysics Data System (ADS)

Biemann, Lars; Häber, Thomas; Maydt, Daniela; Schaper, Klaus; Kleinermanns, Karl

2011-03-01

We investigated the self-aggregation of 2'-deoxy-3',5'-bis(tert-butyldimethylsilyl)-cytidine dC(TBDMS)2 in CDCl3 solutions by Fourier transform infrared (FT-IR) spectroscopy and report the formation of larger aggregates than dimers in this solvent for the first time. The hydrogen bonding patterns in these complexes, which occur with increasing concentration may serve as a model for DNA super-structures such as triplexes. From the IR spectra, wavelength dependent absolute extinction coefficients of the monomer, dimer as well as a contribution from larger clusters which are supposedly trimers are deduced on the basis of a simple deconvolution method. Our results are supported by RI-B3LYP/TZVP calculations within the conductorlike screening model framework, to account for solvent effects in the ab initio calculations.

Fractional finite Fourier transform.

PubMed

Khare, Kedar; George, Nicholas

2004-07-01

We show that a fractional version of the finite Fourier transform may be defined by using prolate spheroidal wave functions of order zero. The transform is linear and additive in its index and asymptotically goes over to Namias's definition of the fractional Fourier transform. As a special case of this definition, it is shown that the finite Fourier transform may be inverted by using information over a finite range of frequencies in Fourier space, the inversion being sensitive to noise. Numerical illustrations for both forward (fractional) and inverse finite transforms are provided.

Fourier transform infrared spectroscopy for Kona coffee authentication.

PubMed

Wang, Jun; Jun, Soojin; Bittenbender, H C; Gautz, Loren; Li, Qing X

2009-06-01

Kona coffee, the variety of "Kona typica" grown in the north and south districts of Kona-Island, carries a unique stamp of the region of Big Island of Hawaii, U.S.A. The excellent quality of Kona coffee makes it among the best coffee products in the world. Fourier transform infrared (FTIR) spectroscopy integrated with an attenuated total reflectance (ATR) accessory and multivariate analysis was used for qualitative and quantitative analysis of ground and brewed Kona coffee and blends made with Kona coffee. The calibration set of Kona coffee consisted of 10 different blends of Kona-grown original coffee mixture from 14 different farms in Hawaii and a non-Kona-grown original coffee mixture from 3 different sampling sites in Hawaii. Derivative transformations (1st and 2nd), mathematical enhancements such as mean centering and variance scaling, multivariate regressions by partial least square (PLS), and principal components regression (PCR) were implemented to develop and enhance the calibration model. The calibration model was successfully validated using 9 synthetic blend sets of 100% Kona coffee mixture and its adulterant, 100% non-Kona coffee mixture. There were distinct peak variations of ground and brewed coffee blends in the spectral "fingerprint" region between 800 and 1900 cm(-1). The PLS-2nd derivative calibration model based on brewed Kona coffee with mean centering data processing showed the highest degree of accuracy with the lowest standard error of calibration value of 0.81 and the highest R(2) value of 0.999. The model was further validated by quantitative analysis of commercial Kona coffee blends. Results demonstrate that FTIR can be a rapid alternative to authenticate Kona coffee, which only needs very quick and simple sample preparations.

Fourier-transformed infrared breath testing after ingestion of technical alcohol.

PubMed

Laakso, Olli; Haapala, Matti; Pennanen, Teemu; Kuitunen, Tapio; Himberg, Jaakko-Juhani

2007-07-01

The study aim was to evaluate the feasibility of a Fourier-transformed infrared (FT-IR) analyzer for out-of-laboratory use by screening the exhalations of inebriated individuals, and to determine analysis quality using common breath components and solvents. Each of the 35 inebriated participants gave an acceptable sample. Because of the metabolism of 2-propanol, the subjects exhaled high concentrations of acetone in addition to ethanol. Other volatile ingredients of technical ethanol products (methyl ethyl ketone, methyl isobutyl ketone, and 2-propanol) were also detected. The lower limits of quantification for the analyzed components ranged from 1.7 to 12 microg/L in simulated breath samples. The bias was +/-2% for ethanol and -11% for methanol. Within-day and between-day coefficients of variation were <1% for ethanol and <4% for methanol. The bias of ethanol and methanol analyses due to coexisting solvents ranged from -0.8 to +2.2% and from -5.6 to +2.9%, respectively. The FT-IR method proved suitable for use outside the laboratory and fulfilled the quality criteria for analysis of solvents in breath.

[Study on analysis of copy paper by Fourier transform infrared spectroscopy].

PubMed

Li, Ji-Min; Wang, Yan-Ji; Wang, Jing-Han; Yao, Li-Juan; Zhang, Biao

2009-06-01

A new method of fast identification of copy papers by Fourier transform infrared spectroscopy (FTIR) was developed. The kinds of filler and the cellulosic degree of crystallinity were analyzed by FTIR, and the ageing curves of cellulosic paper were studied with heating and ultraviolet light. The cellulosic degree of crystallinity was showed by the ratio of absorbance at 1 429 cm(-1) to that at 893 cm(-1), the standard deviation of different brands of copy papers was 0.010 7-0.016 0, and the standard deviation of the same brands of copy papers was 0.014 8. The kinds of filler and the cellulosic degree of crystallinity were different in copy papers from different brands of different manufacturing plants, different brands of same manufacturing plants and different manufacturing times of the same brands from the same manufacturing plants, and the curves of ageing were different with heating and ultraviolet light. The results of fast identification of copy papers by FTIR are satisfactory.

Monitoring breast cancer treatment using a Fourier transform infrared spectroscopy-based computational model.

PubMed

Depciuch, J; Kaznowska, E; Golowski, S; Koziorowska, A; Zawlik, I; Cholewa, M; Szmuc, K; Cebulski, J

2017-09-05

Breast cancer affects one in four women, therefore, the search for new diagnostic technologies and therapeutic approaches is of critical importance. This involves the development of diagnostic tools to facilitate the detection of cancer cells, which is useful for assessing the efficacy of cancer therapies. One of the major challenges for chemotherapy is the lack of tools to monitor efficacy during the course of treatment. Vibrational spectroscopy appears to be a promising tool for such a purpose, as it yields Fourier transformation infrared (FTIR) spectra which can be used to provide information on the chemical composition of the tissue. Previous research by our group has demonstrated significant differences between the infrared spectra of healthy, cancerous and post-chemotherapy breast tissue. Furthermore, the results obtained for three extreme patient cases revealed that the infrared spectra of post-chemotherapy breast tissue closely resembles that of healthy breast tissue when chemotherapy is effective (i.e., a good therapeutic response is achieved), or that of cancerous breast tissue when chemotherapy is ineffective. In the current study, we compared the infrared spectra of healthy, cancerous and post-chemotherapy breast tissue. Characteristic parameters were designated for the obtained spectra, spreading the function of absorbance using the Kramers-Kronig transformation and the best fit procedure to obtain Lorentz functions, which represent components of the bands. The Lorentz function parameters were used to develop a physics-based computational model to verify the efficacy of a given chemotherapy protocol in a given case. The results obtained using this model reflected the actual patient data retrieved from medical records (health improvement or no improvement). Therefore, we propose this model as a useful tool for monitoring the efficacy of chemotherapy in patients with breast cancer. Copyright © 2017 Elsevier B.V. All rights reserved.

Various new applications of fiber optic infrared Fourier transform spectroscopy for dermatology

NASA Astrophysics Data System (ADS)

Bruch, Reinhard F.; Afanasyeva, Natalia I.; Sukuta, Sydney; Brooks, Angelique L.; Makhine, Volodymyr; Kolyakov, Sergei F.

1999-02-01

Fiberoptical evanescent wave Fourier transform infrared (FEW- FTIR) spectroscopy has been applied in the middle infrared (MIR) wavelength range (3 to 20 micrometer) to the in vivo diagnostics of normal skin tissue, acupuncture points as well as precancerous and cancerous conditions. The FTIR-FEW technique, using nontoxic unclad fibers, is suitable for noninvasive, sensitive investigations of skin tissue for various dermatological studies of skin caner, aging, laser treatment, cosmetics, skin allergies, etc. This method is direct, nondestructive, and fast (seconds). Our optical fibers are nonhygroscopic, flexible, and characterized by extremely low losses. In this study, we have noninvasively investigated more than 300 cases of normal skin, acupuncture points, precancerous and cancerous tissue in the range of 1400 to 1800 cm-1. The results of our analysis of skin and other tissue are discussed in terms of structural and mathematical similarities and differences on a molecular level. In addition, we have also performed cluster analysis, using principal component scores, to confirm pathological classifications and to discriminate between genders. We have found good agreement with prior pathological classifications for normal skin tissue and melanoma tumors and normal females were distinctly separate from males.

Diffuse Reflectance Infrared Fourier Transform Spectroscopy for the Determination of Asbestos Species in Bulk Building Materials

PubMed Central

Accardo, Grazia; Cioffi, Raffaeke; Colangelo, Francesco; d’Angelo, Raffaele; De Stefano, Luca; Paglietti, Fderica

2014-01-01

Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy is a well-known technique for thin film characterization. Since all asbestos species exhibit intense adsorptions peaks in the 4000–400 cm−1 region of the infrared spectrum, a quantitative analysis of asbestos in bulk samples by DRIFT is possible. In this work, different quantitative analytical procedures have been used to quantify chrysotile content in bulk materials produced by building requalification: partial least squares (PLS) chemometrics, the Linear Calibration Curve Method (LCM) and the Method of Additions (MoA). Each method has its own pros and cons, but all give affordable results for material characterization: the amount of asbestos (around 10%, weight by weight) can be determined with precision and accuracy (errors less than 0.1). PMID:28788467

Imaging open-path Fourier transform infrared spectrometer for 3D cloud profiling

NASA Astrophysics Data System (ADS)

Rentz Dupuis, Julia; Mansur, David J.; Engel, James R.; Vaillancourt, Robert; Todd, Lori; Mottus, Kathleen

2008-04-01

OPTRA and University of North Carolina are developing an imaging open-path Fourier transform infrared (I-OP-FTIR) spectrometer for 3D profiling of chemical and biological agent simulant plumes released into test ranges and chambers. An array of I-OP-FTIR instruments positioned around the perimeter of the test site, in concert with advanced spectroscopic algorithms, enables real time tomographic reconstruction of the plume. The approach will be considered as a candidate referee measurement for test ranges and chambers. This Small Business Technology Transfer (STTR) effort combines the instrumentation and spectroscopic capabilities of OPTRA, Inc. with the computed tomographic expertise of the University of North Carolina, Chapel Hill. In this paper, we summarize progress to date and overall system performance projections based on the instrument, spectroscopy, and tomographic reconstruction accuracy. We then present a preliminary optical design of the I-OP-FTIR.

Variable-temperature Fourier transform near-infrared imaging spectroscopy of the deuterium/hydrogen exchange in liquid D₂O.

PubMed

Unger, Miriam; Ozaki, Yukihiro; Siesler, Heinz W

2014-01-01

In the present publication, the deuterium/hydrogen (D/H) exchange of liquid D2O exposed to water vapor of the surrounding atmosphere has been studied by variable-temperature Fourier transform near-infrared (FT-NIR) imaging spectroscopy. Apart from the visualization of the exchange process in the time-resolved FT-NIR images, kinetic parameters and the activation energy for this D/H exchange reaction have been derived from the Arrhenius plot of the variable-temperature spectroscopic data.

Fourier Transform Infrared and Resonance Raman Spectroscopic Studies of Bacteriorhodopsin.

NASA Astrophysics Data System (ADS)

Earnest, Thomas Nixon

Fourier transform infrared and resonance Raman spectroscopy were used to investigate the structure and function of the light-activated, transmembrane proton pump, bacteriorhodopsin, from the purple membrane of Halobacterium halobium. Bacteriorhodopsin (bR) is a 27,000 dalton integral membrane protein consisting of 248 amino acids with a retinylidene chromophore. Absorption of a photon leads to the translocation of one or two protons from the inside of the cell to the outside. Resonance Raman spectroscopy allows for the study of the configuration of retinal in bR and its photointermediates by the selective enhancement of vibrational modes of the chromophore. This technique was used to determine that the chromophore is attached to lysine-216 in both the bR _{570} and the M _{412} intermediates. In bR with tyrosine-64 selectively nitrated or aminated, the chromophore appears to have the same configuration in that bR _{570} (all- trans) and M _{412} (13- cis) states as it does in unmodified bR. Polarized Fourier transform infrared spectroscopy (FTIR) permits the study of the direction of transition dipole moments arising from molecular vibrations of the protein and the retinal chromophore. The orientation of alpha helical and beta sheet components was determined for bR with the average helical tilt found to lie mostly parallel to the membrane normal. The beta sheet structures also exhibit an IR linear dichroism for the amide I and amide II bands which suggest that the peptide backbone is mostly perpendicular to the membrane plane although it is difficult to determine whether the bands originate from sheet or turn components. The orientation of secondary structure components of the C-1 (residues 72-248) and C-2 (residues 1-71) fragments were also investigated to determine the structure of these putative membrane protein folding intermediates. Polarized, low temperature FTIR -difference spectroscopy was then used to investigate the structure of bR as it undergoes

Observation of CO 2 in Fourier transform infrared spectral measurements of living Acholeplasma laidlawii cells

NASA Astrophysics Data System (ADS)

Omura, Yoko; Okazaki, Norio

2003-06-01

In monitoring the time course of conformational disorder by Fourier transform infrared spectroscopy for intact Acholeplasma laidlawii cells grown at 37 °C on binary fatty acid mixtures containing oleic acid and for cells grown on pure palmitic acid, an absorption band at 2343 cm-1 was observed. The band intensity was found to increase with time. This band was not observed in the spectra for isolated membranes. It is suggested that the 2343 cm-1 band is due to CO2 dissolved in water, most likely produced at the final point of fermentation of amino acid by this microorganism.

Practical protocols for fast histopathology by Fourier transform infrared spectroscopic imaging

NASA Astrophysics Data System (ADS)

Keith, Frances N.; Reddy, Rohith K.; Bhargava, Rohit

2008-02-01

Fourier transform infrared (FT-IR) spectroscopic imaging is an emerging technique that combines the molecular selectivity of spectroscopy with the spatial specificity of optical microscopy. We demonstrate a new concept in obtaining high fidelity data using commercial array detectors coupled to a microscope and Michelson interferometer. Next, we apply the developed technique to rapidly provide automated histopathologic information for breast cancer. Traditionally, disease diagnoses are based on optical examinations of stained tissue and involve a skilled recognition of morphological patterns of specific cell types (histopathology). Consequently, histopathologic determinations are a time consuming, subjective process with innate intra- and inter-operator variability. Utilizing endogenous molecular contrast inherent in vibrational spectra, specially designed tissue microarrays and pattern recognition of specific biochemical features, we report an integrated algorithm for automated classifications. The developed protocol is objective, statistically significant and, being compatible with current tissue processing procedures, holds potential for routine clinical diagnoses. We first demonstrate that the classification of tissue type (histology) can be accomplished in a manner that is robust and rigorous. Since data quality and classifier performance are linked, we quantify the relationship through our analysis model. Last, we demonstrate the application of the minimum noise fraction (MNF) transform to improve tissue segmentation.

[Measurements of the concentration of atmospheric CO2 based on OP/FTIR method and infrared reflecting scanning Fourier transform spectrometry].

PubMed

Wei, Ru-Yi; Zhou, Jin-Song; Zhang, Xue-Min; Yu, Tao; Gao, Xiao-Hui; Ren, Xiao-Qiang

2014-11-01

The present paper describes the observations and measurements of the infrared absorption spectra of CO2 on the Earth's surface with OP/FTIR method by employing a mid-infrared reflecting scanning Fourier transform spectrometry, which are the first results produced by the first prototype in China developed by the team of authors. This reflecting scanning Fourier transform spectrometry works in the spectral range 2 100-3 150 cm(-1) with a spectral resolution of 2 cm(-1). Method to measure the atmospheric molecules was described and mathematical proof and quantitative algorithms to retrieve molecular concentration were established. The related models were performed both by a direct method based on the Beer-Lambert Law and by a simulating-fitting method based on HITRAN database and the instrument functions. Concentrations of CO2 were retrieved by the two models. The results of observation and modeling analyses indicate that the concentrations have a distribution of 300-370 ppm, and show tendency that going with the variation of the environment they first decrease slowly and then increase rapidly during the observation period, and reached low points in the afternoon and during the sunset. The concentrations with measuring times retrieved by the direct method and by the simulating-fitting method agree with each other very well, with the correlation of all the data is up to 99.79%, and the relative error is no more than 2.00%. The precision for retrieving is relatively high. The results of this paper demonstrate that, in the field of detecting atmospheric compositions, OP/FTIR method performed by the Infrared reflecting scanning Fourier transform spectrometry is a feasible and effective technical approach, and either the direct method or the simulating-fitting method is capable of retrieving concentrations with high precision.

[A study of Boletus bicolor from different areas using Fourier transform infrared spectrometry].

PubMed

Zhou, Zai-Jin; Liu, Gang; Ren, Xian-Pei

2010-04-01

It is hard to differentiate the same species of wild growing mushrooms from different areas by macromorphological features. In this paper, Fourier transform infrared (FTIR) spectroscopy combined with principal component analysis was used to identify 58 samples of boletus bicolor from five different areas. Based on the fingerprint infrared spectrum of boletus bicolor samples, principal component analysis was conducted on 58 boletus bicolor spectra in the range of 1 350-750 cm(-1) using the statistical software SPSS 13.0. According to the result, the accumulated contributing ratio of the first three principal components accounts for 88.87%. They included almost all the information of samples. The two-dimensional projection plot using first and second principal component is a satisfactory clustering effect for the classification and discrimination of boletus bicolor. All boletus bicolor samples were divided into five groups with a classification accuracy of 98.3%. The study demonstrated that wild growing boletus bicolor at species level from different areas can be identified by FTIR spectra combined with principal components analysis.

Classification and identification of Rhodobryum roseum Limpr. and its adulterants based on fourier-transform infrared spectroscopy (FTIR) and chemometrics.

PubMed

Cao, Zhen; Wang, Zhenjie; Shang, Zhonglin; Zhao, Jiancheng

2017-01-01

Fourier-transform infrared spectroscopy (FTIR) with the attenuated total reflectance technique was used to identify Rhodobryum roseum from its four adulterants. The FTIR spectra of six samples in the range from 4000 cm-1 to 600 cm-1 were obtained. The second-derivative transformation test was used to identify the small and nearby absorption peaks. A cluster analysis was performed to classify the spectra in a dendrogram based on the spectral similarity. Principal component analysis (PCA) was used to classify the species of six moss samples. A cluster analysis with PCA was used to identify different genera. However, some species of the same genus exhibited highly similar chemical components and FTIR spectra. Fourier self-deconvolution and discrete wavelet transform (DWT) were used to enhance the differences among the species with similar chemical components and FTIR spectra. Three scales were selected as the feature-extracting space in the DWT domain. The results show that FTIR spectroscopy with chemometrics is suitable for identifying Rhodobryum roseum and its adulterants.

[A basic research to share Fourier transform near-infrared spectrum information resource].

PubMed

Zhang, Lu-Da; Li, Jun-Hui; Zhao, Long-Lian; Zhao, Li-Li; Qin, Fang-Li; Yan, Yan-Lu

2004-08-01

A method to share the information resource in the database of Fourier transform near-infrared(FTNIR) spectrum information of agricultural products and utilize the spectrum information sufficiently is explored in this paper. Mapping spectrum information from one instrument to another is studied to express the spectrum information accurately between the instruments. Then mapping spectrum information is used to establish a mathematical model of quantitative analysis without including standard samples. The analysis result is that the relative coefficient r is 0.941 and the relative error is 3.28% between the model estimate values and the Kjeldahl's value for the protein content of twenty-two wheat samples, while the relative coefficient r is 0.963 and the relative error is 2.4% for the other model, which is established by using standard samples. It is shown that the spectrum information can be shared by using the mapping spectrum information. So it can be concluded that the spectrum information in one FTNIR spectrum information database can be transformed to another instrument's mapping spectrum information, which makes full use of the information resource in the database of FTNIR spectrum information to realize the resource sharing between different instruments.

Identification of Fourier transform infrared photoacoustic spectral features for detection of Aspergillus flavus infection in corn.

PubMed

Gordon, S H; Schudy, R B; Wheeler, B C; Wicklow, D T; Greene, R V

1997-04-01

Aspergillus flavus and other pathogenic fungi display typical infrared spectra which differ significantly from spectra of substrate materials such as corn. On this basis, specific spectral features have been identified which permit detection of fungal infection on the surface of corn kernels by photoacoustic infrared spectroscopy. In a blind study, ten corn kernels showing bright greenish yellow fluorescence (BGYF) in the germ or endosperm and ten BGYF-negative kernels were correctly classified as infected or not infected by Fourier transform infrared photoacoustic spectroscopy. Earlier studies have shown that BGYF-positive kernels contain the bulk of the aflatoxin contaminating grain at harvest. Ten major spectral features, identified by visual inspection of the photoacoustic spectra of A. flavus mycelium grown in culture versus uninfected corn, were interpreted and assigned by theoretical comparisons of the relative chemical compositions of fungi and corn. The spectral features can be built into either empirical or knowledge-based computer models (expert systems) for automatic infrared detection and segregation of grains or kernels containing aflatoxin from the food and feed supply.

Analysis of Chuanxiong Rhizoma and its active components by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy.

PubMed

Guo, Yizhen; Lv, Beiran; Wang, Jingjuan; Liu, Yang; Sun, Suqin; Xiao, Yao; Lu, Lina; Xiang, Li; Yang, Yanfang; Qu, Lei; Meng, Qinghong

2016-01-15

As complicated mixture systems, active components of Chuanxiong Rhizoma are very difficult to identify and discriminate. In this paper, the macroscopic IR fingerprint method including Fourier transform infrared spectroscopy (FT-IR), the second derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2DCOS-IR), was applied to study and identify Chuanxiong raw materials and its different segmented production of HPD-100 macroporous resin. Chuanxiong Rhizoma is rich in sucrose. In the FT-IR spectra, water eluate is more similar to sucrose than the powder and the decoction. Their second derivative spectra amplified the differences and revealed the potentially characteristic IR absorption bands and combined with the correlation coefficient, concluding that 50% ethanol eluate had more ligustilide than other eluates. Finally, it can be found from 2DCOS-IR spectra that proteins were extracted by ethanol from Chuanxiong decoction by HPD-100 macroporous resin. It was demonstrated that the above three-step infrared spectroscopy could be applicable for quick, non-destructive and effective analysis and identification of very complicated and similar mixture systems of traditional Chinese medicines. Copyright © 2015 Elsevier B.V. All rights reserved.

Pectin functionalised by fatty acids: Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic characterisation

NASA Astrophysics Data System (ADS)

Kamnev, Alexander A.; Calce, Enrica; Tarantilis, Petros A.; Tugarova, Anna V.; De Luca, Stefania

2015-01-01

Chemically modified pectin derivatives obtained by partial esterification of its hydroxyl moieties with fatty acids (FA; oleic, linoleic and palmitic acids), as well as the initial apple peel pectin were comparatively characterised using diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy. Characteristic changes observed in DRIFT spectra in going from pectin to its FA esters are related to the corresponding chemical modifications. Comparing the DRIFT spectra with some reported data on FTIR spectra of the same materials measured in KBr or NaCl matrices has revealed noticeable shifts of several polar functional groups both in pectin and in its FA-esterified products induced by the halide salts. The results obtained have implications for careful structural analyses of biopolymers with hydrophilic functional groups by means of different FTIR spectroscopic methodologies.

Fourier transform infrared spectroscopic study of gamma irradiated SiO2 nanoparticles

NASA Astrophysics Data System (ADS)

Huseynov, Elchin; Garibov, Adil; Mehdiyeva, Ravan; Huseynova, Efsane

2018-03-01

In the present work, nano SiO2 particles are investigated before and after gamma irradiation (25, 50, 75, 100 and 200 kGy) using Fourier transform infrared (FTIR) spectroscopy method for the wavenumber between 400-4000 cm-1. It is found that as a result of spectroscopic analysis, five new peaks have appeared after gamma radiation. Two of new obtained peaks (which are located at 687 cm-1 and 2357 cm-1 of wavenumber) were formed as a result of gamma radiation interaction with Si-O bonds. Another three new peaks (peaks appropriate to 941, 2052 and 2357 cm-1 values of wavenumber) appear as a result of interaction of water with nano SiO2 particles after gamma irradiation. It has been defined as asymmetrical bending vibration, symmetrical bending vibration, symmetrical stretching vibration and asymmetrical stretching vibration of Si-O bonds appropriate to peaks.

Imaging open-path Fourier transform infrared spectrometer for 3D cloud profiling

NASA Astrophysics Data System (ADS)

Rentz Dupuis, Julia; Mansur, David J.; Vaillancourt, Robert; Carlson, David; Evans, Thomas; Schundler, Elizabeth; Todd, Lori; Mottus, Kathleen

2010-04-01

OPTRA has developed an imaging open-path Fourier transform infrared (I-OP-FTIR) spectrometer for 3D profiling of chemical and biological agent simulant plumes released into test ranges and chambers. An array of I-OP-FTIR instruments positioned around the perimeter of the test site, in concert with advanced spectroscopic algorithms, enables real time tomographic reconstruction of the plume. The approach is intended as a referee measurement for test ranges and chambers. This Small Business Technology Transfer (STTR) effort combines the instrumentation and spectroscopic capabilities of OPTRA, Inc. with the computed tomographic expertise of the University of North Carolina, Chapel Hill. In this paper, we summarize the design and build and detail system characterization and test of a prototype I-OP-FTIR instrument. System characterization includes radiometric performance and spectral resolution. Results from a series of tomographic reconstructions of sulfur hexafluoride plumes in a laboratory setting are also presented.

Geographical traceability of Marsdenia tenacissima by Fourier transform infrared spectroscopy and chemometrics

NASA Astrophysics Data System (ADS)

Li, Chao; Yang, Sheng-Chao; Guo, Qiao-Sheng; Zheng, Kai-Yan; Wang, Ping-Li; Meng, Zhen-Gui

2016-01-01

A combination of Fourier transform infrared spectroscopy with chemometrics tools provided an approach for studying Marsdenia tenacissima according to its geographical origin. A total of 128 M. tenacissima samples from four provinces in China were analyzed with FTIR spectroscopy. Six pattern recognition methods were used to construct the discrimination models: support vector machine-genetic algorithms, support vector machine-particle swarm optimization, K-nearest neighbors, radial basis function neural network, random forest and support vector machine-grid search. Experimental results showed that K-nearest neighbors was superior to other mathematical algorithms after data were preprocessed with wavelet de-noising, with a discrimination rate of 100% in both the training and prediction sets. This study demonstrated that FTIR spectroscopy coupled with K-nearest neighbors could be successfully applied to determine the geographical origins of M. tenacissima samples, thereby providing reliable authentication in a rapid, cheap and noninvasive way.

Evaluation of different grades of ginseng using Fourier-transform infrared and two-dimensional infrared correlation spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Yan-ling; Chen, Jian-bo; Lei, Yu; Zhou, Qun; Sun, Su-qin; Noda, Isao

2010-06-01

Ginseng is one of the most widely used herbal medicines which have many kinds of pharmaceutical values. The discrimination of grades of ginseng includes the cultivation types and the growth years herein. To evaluate the different grades of ginseng, the fibrous roots and rhizome roots of ginseng were analyzed by Fourier-transform infrared and two-dimensional infrared correlation spectroscopy in this paper. The fibrous root and rhizome root of ginseng have different content of starch, calcium oxalate and other components. For the fibrous roots of ginseng, mountain cultivation ginseng (MCG), garden cultivation ginseng (GCG) and transplanted cultivation ginseng (TCG) have clear difference in the infrared spectra and second derivative spectra in the range of 1800-400 cm -1, and clearer difference was observed in the range of 1045-1160 and 1410-1730 cm -1 in 2D synchronous correlation spectra. Three kinds of ginseng can be clustered very well by using SIMCA analysis on the basis of PCA as well. For the rhizome roots, the content of calcium oxalate and starch change with growth years in the IR spectra, and some useful procedure can be obtained by the analysis of 2D IR synchronous spectra in the range of 1050-1415 cm -1. Also, ginsengs cultivated in different growth years were clustered perfectly by using SIMCA analysis. The results suggested that different grades of ginseng can be well recognized using the mid-infrared spectroscopy assisted by 2D IR correlation spectroscopy, which provide the macro-fingerprint characteristics of ginseng in different parts and supplied a rapid, effective approach for the evaluation of the quality of ginseng.

Cotton fiber quality characterization with light scattering and fourier transform infrared techniques.

PubMed

Thomasson, J A; Manickavasagam, S; Mengüç, M P

2009-03-01

Fiber quality measurement is critical to assessing the value of a bale of cotton for various textile purposes. An instrument that could measure numerous cotton quality properties by optical means could be made simpler and faster than current fiber quality measurement instruments, and it might be more amenable to on-line measurement at processing facilities. To that end, a laser system was used to investigate cotton fiber samples with respect to electromagnetic scattering at various wavelengths, polarization angles, and scattering angles. A Fourier transform infrared (FT-IR) instrument was also used to investigate the transmission of electromagnetic energy at various mid-infrared wavelengths. Cotton samples were selected to represent a wide range of micronaire values. Varying the wavelength of the laser at a fixed polarization resulted in little variation in scattered light among the cotton samples. However, varying the polarization at a fixed wavelength produced notable variation, indicating that polarization might be used to differentiate among cotton samples with respect to certain fiber properties. The FT-IR data in the 12 to 22 microm range produced relatively large differences in the amount of scattered light among all samples, and FT-IR data at certain combinations of fixed wavelengths were highly linearly related to certain measures of cotton quality including micronaire.

Rapid identification and classification of Listeria spp. and serotype assignment of Listeria monocytogenes using fourier transform-infrared spectroscopy and artificial neural network analysis

USDA-ARS?s Scientific Manuscript database

The use of Fourier Transform-Infrared Spectroscopy (FT-IR) in conjunction with Artificial Neural Network software, NeuroDeveloper™ was examined for the rapid identification and classification of Listeria species and serotyping of Listeria monocytogenes. A spectral library was created for 245 strains...

Study on Senna alata and its different extracts by Fourier transform infrared spectroscopy and two-dimensional correlation infrared spectroscopy

NASA Astrophysics Data System (ADS)

Adiana, M. A.; Mazura, M. P.

2011-04-01

Senna alata L. commonly known as candle bush belongs to the family of Fabaceae and the plant has been reported to possess anti-inflammatory, analgesic, laxative and antiplatelet-aggregating activity. In order to develop a rapid and effective analysis method for studying integrally the main constituents in the medicinal materials and their extracts, discriminating the extracts from different extraction process, comparing the categories of chemical constituents in the different extracts and monitoring the qualities of medicinal materials, we applied Fourier transform infrared spectroscopy (FT-IR) associated with second derivative infrared spectroscopy and two-dimensional infrared correlation spectroscopy (2D-IR) to study the main constituents of S. alata and its different extracts (extracted by hexane, dichloromethane, ethyl acetate and methanol in turn). The findings indicated that FT-IR and 2D-IR can provide many holistic variation rules of chemical constituents. Use of the macroscopical fingerprint characters of FT-IR and 2D-IR spectrum can identify the main chemical constituents in medicinal materials and their extracts, but also compare the components differences among similar samples. In a conclusion, FT-IR spectroscopy combined with 2D correlation analysis provides a powerful method for the quality control of traditional medicines.

Fluorescence lifetime imaging and Fourier transform infrared spectroscopy of Michelangelo's David.

PubMed

Comelli, Daniela; Valentini, Gianluca; Cubeddu, Rinaldo; Toniolo, Lucia

2005-09-01

We developed a combined procedure for the analysis of works of art based on a portable system for fluorescence imaging integrated with analytical measurements on microsamples. The method allows us to localize and identify organic and inorganic compounds present on the surface of artworks. The fluorescence apparatus measures the temporal and spectral features of the fluorescence emission, excited by ultraviolet (UV) laser pulses. The kinetic of the emission is studied through a fluorescence lifetime imaging system, while an optical multichannel analyzer measures the fluorescence spectra of selected points. The chemical characterization of the compounds present on the artistic surfaces is then performed by means of analytical measurements on microsamples collected with the assistance of the fluorescence maps. The previous concepts have been successfully applied to study the contaminants on the surface of Michelangelo's David. The fluorescence analysis combined with Fourier transform infrared (FT-IR) measurements revealed the presence of beeswax, which permeates most of the statue surface, and calcium oxalate deposits mainly arranged in vertical patterns and related to rain washing.

Spectroscopic analysis of bladder cancer tissues using Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Al-Muslet, Nafie A.; Ali, Essam E.

2012-03-01

Bladder cancer is one of the most common cancers in Africa. It takes several days to reach a diagnosis using histological examinations of specimens obtained by endoscope, which increases the medical expense. Recently, spectroscopic analysis of bladder cancer tissues has received considerable attention as a diagnosis technique due to its sensitivity to biochemical variations in the samples. This study investigated the use of Fourier transform infrared (FTIR) spectroscopy to analyze a number of bladder cancer tissues. Twenty-two samples were collected from 11 patients diagnosed with bladder cancer from different hospitals without any pretreatment. From each patient two samples were collected, one normal and another cancerous. FTIR spectrometer was used to differentiate between normal and cancerous bladder tissues via changes in spectra of these samples. The investigations detected obvious changes in the bands of proteins (1650, 1550 cm-1), lipids (2925, 2850 cm-1), and nucleic acid (1080, 1236 cm-1). The results show that FTIR spectroscopy is promising as a rapid, accurate, nondestructive, and easy to use alternative method for identification and diagnosis of bladder cancer tissues.

Ion beam modification of the structure and properties of hexagonal boron nitride: An infrared and X-ray diffraction study

NASA Astrophysics Data System (ADS)

Aradi, E.; Naidoo, S. R.; Billing, D. G.; Wamwangi, D.; Motochi, I.; Derry, T. E.

2014-07-01

The vibrational mode for the cubic symmetry of boron nitride (BN) has been produced by boron ion implantation of hexagonal boron nitride (h-BN). The optimum fluence at 150 keV was found to be 5 × 1014 ions/cm2. The presence of the c-BN phase was inferred using glancing incidence XRD (GIXRD) and Fourier Transform Infrared Spectroscopy (FTIR). After implantation, Fourier Transform Infrared Spectroscopy indicated a peak at 1092 cm-1 which corresponds to the vibrational mode for nanocrystalline BN (nc-BN). The glancing angle XRD pattern after implantation exhibited c-BN diffraction peaks relative to the implantation depth of 0.4 μm.

Identification Of Fatty Acid Isomers By Gas Chromatography / Matrix Isolation / Fourier Transform Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Mossoba, Magdi M.; McDonald, Richard E.; Chen, Jo-Yun T.; Page, Samuel W.

1989-12-01

Geometric and positional isomers of fatty acid methyl esters (FAME) derived from hydrogenated soybean oil and margarines were separated by silver nitrate-thin layer chromatography (AgNO3-TLC) followed by capillary gas chromatography (GC) and identified by matrix isolation / Fourier transform infrared (MI/FTIR) spectroscopyi,2. Because of the high specificity of the MI technique, it was possible to distinguish between different 18-carbon aliphatic chains of FAME positional isomers with cis or trans configuration, and to determine their degree of unsaturation. For the first time mid-IR spectra were observed for methylene-interrupted or isolated trans, trans or cis/ trans C18 FAME positional isomers. These spectra could be readily differentiated based on unique MI/FTIR spectral characteristics.

Fourier transform infrared and Raman spectroscopy studies on magnetite/Ag/antibiotic nanocomposites

NASA Astrophysics Data System (ADS)

Ivashchenko, Olena; Jurga-Stopa, Justyna; Coy, Emerson; Peplinska, Barbara; Pietralik, Zuzanna; Jurga, Stefan

2016-02-01

This article presents a study on the detection of antibiotics in magnetite/Ag/antibiotic nanocomposites using Fourier transform infrared (FTIR) and Raman spectroscopy. Antibiotics with different spectra of antimicrobial activities, including rifampicin, doxycycline, cefotaxime, and ceftriaxone, were studied. Mechanical mixtures of antibiotics and magnetite/Ag nanocomposites, as well as antibiotics and magnetite nanopowder, were investigated in order to identify the origin of FTIR bands. FTIR spectroscopy was found to be an appropriate technique for this task. The spectra of the magnetite/Ag/antibiotic nanocomposites exhibited very weak (for doxycycline, cefotaxime, and ceftriaxone) or even no (for rifampicin) antibiotic bands. This FTIR "invisibility" of antibiotics is ascribed to their adsorbed state. FTIR and Raman measurements show altered Csbnd O, Cdbnd O, and Csbnd S bonds, indicating adsorption of the antibiotic molecules on the magnetite/Ag nanocomposite structure. In addition, a potential mechanism through which antibiotic molecules interact with magnetite/Ag nanoparticle surfaces is proposed.

Discrimination of different genuine Danshen and their extracts by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy

NASA Astrophysics Data System (ADS)

Liu, Xin-hu; Xu, Chang-hua; Sun, Su-qin; Huang, Jian; Zhang, Ke; Li, Guo-yu; Zhu, Yun; Zhou, Qun; Zhang, Zhi-cheng; Wang, Jin-hui

2012-11-01

In this study, six varieties of Danshen from different populations and genuine ("Daodi" in Chinese transliteration) regions were discriminated and identified by a three-step infrared spectroscopy method (Fourier transform-infrared spectroscopy (FT-IR) coupled with second derivative infrared spectroscopy (SD-IR) and two dimensional correlation infrared spectroscopy (2D-IR)). Though only small differences were found among the FT-IR spectra of the six Danshen samples, the positions and intensities of peaks at 3393, 3371, 1613, 1050, and 1036 cm-1 could be considered as the key factors to discriminate them. More significant differences were exhibited in their SD-IR, particularly for the peaks around 1080, 1144, 695, 665, 800, 1610, 1510, 1450, 1117 and 1077 cm-1. The visual 2D-IR spectra provided dynamic chemical structure information of the six Danshen samples with presenting different particular auto-peak clusters, respectively. Moreover, the contents of salvianolic acid B in all samples were measured quantitatively by a validated ultra performance liquid chromatography (UPLC), which was consistent with the FT-IR findings. This study provides a promising method for characteristics and quality control of the complicated and extremely similar herbal medicine like Danshen, which is more cost effective and time saving.

Fourier transform mid infrared spectroscopy applications for monitoring the structural plasticity of plant cell walls

PubMed Central

Largo-Gosens, Asier; Hernández-Altamirano, Mabel; García-Calvo, Laura; Alonso-Simón, Ana; Álvarez, Jesús; Acebes, José L.

2014-01-01

Fourier transform mid-infrared (FT-MIR) spectroscopy has been extensively used as a potent, fast and non-destructive procedure for analyzing cell wall architectures, with the capacity to provide abundant information about their polymers, functional groups, and in muro entanglement. In conjunction with multivariate analyses, this method has proved to be a valuable tool for tracking alterations in cell walls. The present review examines recent progress in the use of FT-MIR spectroscopy to monitor cell wall changes occurring in muro as a result of various factors, such as growth and development processes, genetic modifications, exposition or habituation to cellulose biosynthesis inhibitors and responses to other abiotic or biotic stresses, as well as its biotechnological applications. PMID:25071791

Discrimination of organic coffee via Fourier transform infrared-photoacoustic spectroscopy.

PubMed

Gordillo-Delgado, Fernando; Marín, Ernesto; Cortés-Hernández, Diego Mauricio; Mejía-Morales, Claudia; García-Salcedo, Angela Janet

2012-08-30

Procedures for the evaluation of the origin and quality of ground and roasted coffee are constantly needed for the associated industry due to complexity of the related market. Conventional Fourier transform infrared (FTIR) spectroscopy can be used for detecting changes in functional groups of compounds, such as coffee. However, dispersion, reflection and non-homogeneity of the sample matrix can cause problems resulting in low spectral quality. On the other hand, sample preparation frequently takes place in a destructive way. To overcome these difficulties, in this work a photoacoustic cell has been adapted as a detector in a FTIR spectrophotometer to perform a study of roasted and ground coffee from three varieties of Coffea arabica grown by organic and conventional methods. Comparison between spectra of coffee recorded by FTIR-photoacoustic spectrometry (PAS) and by FTIR spectrophotometry showed a better resolution of the former method, which, aided by principal components analysis, allowed the identification of some absorption bands that allow the discrimination between organic and conventional coffee. The results obtained provide information about the spectral behavior of coffee powder which can be useful for establishing discrimination criteria. It has been demonstrated that FTIR-PAS can be a useful experimental tool for the characterization of coffee. Copyright © 2012 Society of Chemical Industry.

Fourier transform infrared difference and time-resolved infrared detection of the electron and proton transfer dynamics in photosynthetic water oxidation.

PubMed

Noguchi, Takumi

2015-01-01

Photosynthetic water oxidation, which provides the electrons necessary for CO₂ reduction and releases O₂ and protons, is performed at the Mn₄CaO₅ cluster in photosystem II (PSII). In this review, studies that assessed the mechanism of water oxidation using infrared spectroscopy are summarized focusing on electron and proton transfer dynamics. Structural changes in proteins and water molecules between intermediates known as Si states (i=0-3) were detected using flash-induced Fourier transform infrared (FTIR) difference spectroscopy. Electron flow in PSII and proton release from substrate water were monitored using the infrared changes in ferricyanide as an exogenous electron acceptor and Mes buffer as a proton acceptor. Time-resolved infrared (TRIR) spectroscopy provided information on the dynamics of proton-coupled electron transfer during the S-state transitions. In particular, a drastic proton movement during the lag phase (~200μs) before electron transfer in the S3→S0 transition was detected directly by monitoring the infrared absorption of a polarizable proton in a hydrogen bond network. Furthermore, the proton release pathways in the PSII proteins were analyzed by FTIR difference measurements in combination with site-directed mutagenesis, isotopic substitutions, and quantum chemical calculations. Therefore, infrared spectroscopy is a powerful tool for understanding the molecular mechanism of photosynthetic water oxidation. This article is part of a Special Issue entitled: Vibrational spectroscopies and bioenergetic systems. Copyright © 2014 Elsevier B.V. All rights reserved.

Fourier transform mass spectrometry.

PubMed

Scigelova, Michaela; Hornshaw, Martin; Giannakopulos, Anastassios; Makarov, Alexander

2011-07-01

This article provides an introduction to Fourier transform-based mass spectrometry. The key performance characteristics of Fourier transform-based mass spectrometry, mass accuracy and resolution, are presented in the view of how they impact the interpretation of measurements in proteomic applications. The theory and principles of operation of two types of mass analyzer, Fourier transform ion cyclotron resonance and Orbitrap, are described. Major benefits as well as limitations of Fourier transform-based mass spectrometry technology are discussed in the context of practical sample analysis, and illustrated with examples included as figures in this text and in the accompanying slide set. Comparisons highlighting the performance differences between the two mass analyzers are made where deemed useful in assisting the user with choosing the most appropriate technology for an application. Recent developments of these high-performing mass spectrometers are mentioned to provide a future outlook.

Tests of various colorants for application of a Fourier transform infrared imaging system to deciphering obliterated writings

NASA Astrophysics Data System (ADS)

Sugawara, Shigeru

2015-10-01

Obliterated writing is writing that has been obscured by different-colored materials. There are obliterated writings that cannot be detected by conventional methods. A method for deciphering such obliterated writings was developed in this study. Mid-infrared spectroscopic imaging in the wavelength range of 2.5-14 μm was used for deciphering because the infrared spectrum differs among different brands of colorants. Obliterated writings were made by pressing information protection stamps onto characters written by 4 kinds of colorants. The samples were tested for deciphering by the Fourier-transform infrared imaging system. Two peak areas of two specific wavenumber regions of each reflectance spectrum were calculated and the ratio of the two values is displayed as a unique gray scale in the spectroscopic image. As a result, the absorption peak at various wavenumbers could be used to decipher obliterated writings that could not be detected by the conventional methods. Ten different parameters for deciphering obliterated writing were found in this study.

[Fast determination of induction period of motor gasoline using Fourier transform attenuated total reflection infrared spectroscopy].

PubMed

Liu, Ya-Fei; Yuan, Hong-Fu; Song, Chun-Feng; Xie, Jin-Chun; Li, Xiao-Yu; Yan, De-Lin

2014-11-01

A new method is proposed for the fast determination of the induction period of gasoline using Fourier transform attenuated total reflection infrared spectroscopy (ATR-FTIR). A dedicated analysis system with the function of spectral measurement, data processing, display and storage was designed and integrated using a Fourier transform infrared spectrometer module and chemometric software. The sample presentation accessory designed which has advantages of constant optical path, convenient sample injection and cleaning is composed of a nine times reflection attenuated total reflectance (ATR) crystal of zinc selenide (ZnSe) coated with a diamond film and a stainless steel lid with sealing device. The influence of spectral scanning number and repeated sample loading times on the spectral signal-to-noise ratio was studied. The optimum spectral scanning number is 15 times and the optimum sample loading number is 4 times. Sixty four different gasoline samples were collected from the Beijing-Tianjin area and the induction period values were determined as reference data by standard method GB/T 8018-87. The infrared spectra of these samples were collected in the operating condition mentioned above using the dedicated fast analysis system. Spectra were pretreated using mean centering and 1st derivative to reduce the influence of spectral noise and baseline shift A PLS calibration model for the induction period was established by correlating the known induction period values of the samples with their spectra. The correlation coefficient (R2), standard error of calibration (SEC) and standard error of prediction (SEP) of the model are 0.897, 68.3 and 91.9 minutes, respectively. The relative deviation of the model for gasoline induction period prediction is less than 5%, which meets the requirements of repeatability tolerance in GB method. The new method is simple and fast. It takes no more than 3 minutes to detect one sample. Therefore, the method is feasible for implementing

Fourier transform infrared spectroscopy for analysis of kidney stones.

PubMed

Khan, Aysha Habib; Imran, Sheharbano; Talati, Jamsheer; Jafri, Lena

2018-01-01

To compare the results of a chemical method of kidney stone analysis with the results of Fourier transform infrared (FT-IR) spectroscopy. Kidney stones collected between June and October 2015 were simultaneously analyzed by chemical and FT-IR methods. Kidney stones (n=449) were collected from patients from 1 to 81 years old. Most stones were from adults, with only 11.5% from children (aged 3-16 years) and 1.5% from children aged <2 years. The male to female ratio was 4.6. In adults, the calcium oxalate stone type, calcium oxalate monohydrate (COM, n=224), was the most common crystal, followed by uric acid and calcium oxalate dihydrate (COD, n=83). In children, the most frequently occurring type was predominantly COD (n=21), followed by COM (n=11), ammonium urate (n=10), carbonate apatite (n=6), uric acid (n=4), and cystine (n=1). Core composition in 22 stones showed ammonium urate (n=2), COM (n=2), and carbonate apatite (n=1) in five stones, while uric acid crystals were detected (n=13) by FT-IR. While chemical analysis identified 3 stones as uric acid and the rest as calcium oxalate only. Agreement between the two methods was moderate, with a kappa statistic of 0.57 (95% confidence interval, 0.5-0.64). Disagreement was noted in the analysis of 77 stones. FT-IR analysis of kidney stones can overcome many limitations associated with chemical analysis.

Preliminary Method for Direct Quantification of Colistin Methanesulfonate by Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

PubMed Central

Niece, Krista L.

2015-01-01

Colistin use has increased in response to the advent of infections caused by multidrug-resistant organisms. It is administered parenterally as an inactive prodrug, colistin methanesulfonate (CMS). Various formulations of CMS and labeling conventions can lead to confusion about colistin dosing, and questions remain about the pharmacokinetics of CMS. Since CMS does not have strong UV absorbance, current methods employ a laborious process of chemical conversion to colistin followed by precolumn derivatization to detect formed colistin by high-performance liquid chromatography. Here, we report a method for direct quantification of colistin methanesulfonate by attenuated total reflectance Fourier transform infrared spectroscopy (ATR FTIR). PMID:26124160

[Combustion temperature measurement of pyrotechnic composition using remote sensing Fourier transform infrared spectrometry].

PubMed

Zhou, Xin-li; Li, Yan; Liu, Zu-liang; Zhu, Chang-jiang; Wang, Jun-de; Lu, Chun-xu

2002-10-01

In this paper, combustion characterization of pyrotechnic composition is investigated using a remote sensing Fourier transform infrared spectrometry. The emission spectra have been recorded between 4,700 and 740 cm-1 with a spectral resolution of 4 cm-1. The combustion temperature can be determined remotely from spectral line intensity distribution of the fine structure of the emission fundamental band of gaseous products such as HF. The relationship between combustion temperature and combustion time has been given. Results show that there is a violent mutative temperature field with bigger temperature gradient near combustion surface. It reveals that the method of temperature measurement using remote sensing FTIR for flame temperature of unstable, violent and short time combustion on real time is a rapid, accurate and sensitive technique without interference the flame temperature field. Potential prospects of temperature measurement, gas product concentration measurement and combustion mechanism are also revealed.

Fourier Transform Mass Spectrometry

PubMed Central

Scigelova, Michaela; Hornshaw, Martin; Giannakopulos, Anastassios; Makarov, Alexander

2011-01-01

This article provides an introduction to Fourier transform-based mass spectrometry. The key performance characteristics of Fourier transform-based mass spectrometry, mass accuracy and resolution, are presented in the view of how they impact the interpretation of measurements in proteomic applications. The theory and principles of operation of two types of mass analyzer, Fourier transform ion cyclotron resonance and Orbitrap, are described. Major benefits as well as limitations of Fourier transform-based mass spectrometry technology are discussed in the context of practical sample analysis, and illustrated with examples included as figures in this text and in the accompanying slide set. Comparisons highlighting the performance differences between the two mass analyzers are made where deemed useful in assisting the user with choosing the most appropriate technology for an application. Recent developments of these high-performing mass spectrometers are mentioned to provide a future outlook. PMID:21742802

COMPARISON OF AN INNOVATIVE NONLINEAR ALGORITHM TO CLASSICAL LEAST SQUARES FOR ANALYZING OPEN-PATH FOURIER TRANSFORM INFRARED SPECTRA COLLECTED AT A CONCENTRATED SWINE PRODUCTION FACILITY

EPA Science Inventory

Open-path Fourier transform infrared (OP/FTIR) spectrometry was used to measure the concentrations of ammonia, methane, and other atmospheric gases at an integrated swine production facility. The concentration-pathlength products of the target gases at this site often exceeded th...

Detection of emission sources using passive-remote Fourier transform infrared spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Demirgian, J.C.; Macha, S.M.; Darby, S.M.

1995-12-31

The detection and identification of toxic chemicals released in the environment is important for public safety. Passive-remote Fourier transform infrared (FTIR) spectrometers can be used to detect these releases. Their primary advantages are their small size and ease of setup and use. Open-path FTIR spectrometers are used to detect concentrations of pollutants from a fixed frame of reference. These instruments detect plumes, but they are too large and difficult to aim to be used to track a plume to its source. Passive remote FTIR spectrometers contain an interferometer, optics, and a detector. They can be used on tripods and inmore » some cases can be hand-held. A telescope can be added to most units. The authors will discuss the capability of passive-remote FTIR spectrometers to detect the origin of plumes. Low concentration plumes were released using a custom-constructed vaporizer. These plumes were detected with different spectrometers from different distances. Passive-remote spectrometers were able to detect small 10 cm on a side chemical releases at concentration-pathlengths at the low parts per million-meter (ppm-m) level.« less

Detection of emission sources using passive-remote Fourier transform infrared spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Demirgian, J.C.; Macha, S.M.; Darby, S.M.

1995-04-01

The detection and identification of toxic chemicals released in the environment is important for public safety. Passive-remote Fourier transform infrared (FTIR) spectrometers can be used to detect these releases. Their primary advantages are their small size and ease of setup and use. Open-path FTIR spectrometers are used to detect concentrations of pollutants from a fixed frame of reference. These instruments detect plumes, but they are too large and difficult to aim to be used to track a plume to its source. Passive remote FTIR spectrometers contain an interferometer, optics, and a detector. They can be used on tripods and inmore » some cases can be hand-held. A telescope can be added to most units. We will discuss the capability of passive-remote FTIR spectrometers to detect the origin of plumes. Low concentration plumes were released using a custom-constructed vaporizer. These plumes were detected with different spectrometers from different distances. Passive-remote spectrometers were able to detect small 10 cm on a side chemical releases at concentration-pathlengths at the low parts per million-meter (ppm-m) level.« less

Vibrational mapping of sinonasal lesions by Fourier transform infrared imaging spectroscopy

NASA Astrophysics Data System (ADS)

Giorgini, Elisabetta; Sabbatini, Simona; Conti, Carla; Rubini, Corrado; Rocchetti, Romina; Re, Massimo; Vaccari, Lisa; Mitri, Elisa; Librando, Vito

2015-12-01

Fourier transform infrared imaging (FTIRI) is a powerful tool for analyzing biochemical changes in tumoral tissues. The head and neck region is characterized by a great variety of lesions, with different degrees of malignancy, which are often difficult to diagnose. Schneiderian papillomas are sinonasal benign neoplasms arising from the Schneiderian mucosa; they can evolve into malignant tumoral lesions (squamous cell carcinoma). In addition, they can sometimes be confused with the more common inflammatory polyps. Therefore, an early and definitive diagnosis of this pathology is mandatory. Progressing in our research on the study of oral cavity lesions, 15 sections consisting of inflammatory sinonasal polyps, benign Schneiderian papillomas, and sinonasal undifferentiated carcinomas were analyzed using FTIRI. To allow a rigorous description of these pathologies and to gain objective diagnosis, the epithelial layer and the adjacent connective tissue of each section were separately investigated by following a multivariate analysis approach. According to the nature of the lesion, interesting modifications were detected in the average spectra of the different tissue components, above all in the lipid and protein patterns. Specific band-area ratios acting as spectral markers of the different pathologies were also highlighted.

Molecular profiling of sepsis in mice using Fourier Transform Infrared Microspectroscopy.

PubMed

Gautam, Rekha; Deobagkar-Lele, Mukta; Majumdar, Shamik; Chandrasekar, Bhagawat; Victor, Emmanuel; Ahmed, Syed Moiz; Wadhwa, Nitin; Verma, Taru; Kumar, Srividya; Sundaresan, Nagalingam Ravi; Umapathy, Siva; Nandi, Dipankar

2016-01-01

Sepsis is a life threatening condition resulting from a high burden of infection. It is a major health care problem and associated with inflammation, organ dysfunction and significant mortality. However, proper understanding and delineating the changes that occur during this complex condition remains a challenge. A comparative study involving intra-peritoneal injection of BALB/c mice with Salmonella Typhimurium (infection), lipopolysaccharide (endotoxic shock) or thioglycollate (sterile peritonitis) was performed. The changes in organs and sera were profiled using immunological assays and Fourier Transform Infrared (FTIR) micro-spectroscopy. There is a rapid rise in inflammatory cytokines accompanied with lowering of temperature, respiratory rate and glucose amounts in mice injected with S. Typhimurium or lipopolysaccharide. FTIR identifies distinct changes in liver and sera: decrease in glycogen and protein/lipid ratio and increase in DNA and cholesteryl esters. These changes were distinct from the pattern observed in mice treated with thioglycollate and the differences in the data obtained between the three models are discussed. The combination of FTIR spectroscopy and other biomarkers will be valuable in monitoring molecular changes during sepsis. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantitative determination of dimethicone in commercial tablets and capsules by Fourier transform infrared spectroscopy and antifoaming activity test.

PubMed

Torrado, G; García-Arieta, A; de los Ríos, F; Menéndez, J C; Torrado, S

1999-03-01

Fourier transform infrared (FTIR) spectroscopy and antifoaming activity test have been employed for the quantitative analysis of dimethicone. Linearity, accuracy and precision are presented for both methods. These methods have been also used to compare different dimethicone-containing proprietary medicines. FTIR spectroscopy has shown to be adequate for quantitation of dimethicone in commercial tablets and capsules in order to comply with USP requirements. The antifoaming activity test is able to detect incompatibilities between dimethicone and other constituents. The presence of certain enzymes in some medicinal products increases the defoaming properties of these formulations.

Fourier transform infrared spectroscopy study on order-disorder transition in Langmuir-Blodgett films of 7-(2-octadecyloxycarbonylethyl)guanine before and after recognition to cytidine

NASA Astrophysics Data System (ADS)

Miao, Wangen; Luo, Xuzhong; Wu, Sanxie; Liang, Yingqiu

2004-01-01

Order-disorder transitions of 9-monolayer Langmuir-Blodgett (LB) films of 7-(2-octadecyloxycarbonylethyl)guanine (ODCG) before and after recognition to cytidine were investigated by Fourier transform infrared (FTIR) spectroscopy. The different order-disorder transitions suggest that molecular recognition between ODCG and cytidine influence these two LB films on the order-disorder process of alkyl tailchain. Cleavage of the multi-hydrogen bonds was also observed by the infrared spectroscopy at elevated temperature.

Fourier transform infrared spectroscopy study on order-disorder transition in Langmuir-Blodgett films of 7-(2-octadecyloxycarbonylethyl)guanine before and after recognition to cytidine.

PubMed

Miao, Wangen; Luo, Xuzhong; Wu, Sanxie; Liang, Yingqiu

2004-01-01

Order-disorder transitions of 9-monolayer Langmuir-Blodgett (LB) films of 7-(2-octadecyloxycarbonylethyl)guanine (ODCG) before and after recognition to cytidine were investigated by Fourier transform infrared (FTIR) spectroscopy. The different order-disorder transitions suggest that molecular recognition between ODCG and cytidine influence these two LB films on the order-disorder process of alkyl tailchain. Cleavage of the multi-hydrogen bonds was also observed by the infrared spectroscopy at elevated temperature.

Cassini infrared Fourier spectroscopic investigation

NASA Astrophysics Data System (ADS)

Kunde, Virgil G.; Ade, Peter A.; Barney, Richard D.; Bergman, D.; Bonnal, Jean-Francois; Borelli, R.; Boyd, D.; Brasunas, John C.; Brown, G.; Calcutt, S. B.; Carroll, F.; Courtin, R.; Cretolle, Jacky; Crooke, Julie A.; Davis, Martin A.; Edberg, S.; Fettig, R.; Flasar, M.; Glenar, David A.; Graham, S.; Hagopian, John G.; Hakun, C. F.; Hayes, Patricia A.; Herath, L.; Horn, Linda; Jennings, Donald E.; Karpati, G.; Kellebenz, C.; Lakew, Brook; Lindsay, J.; Lohr, J.; Lyons, James J.; Martineau, Robert J.; Martino, Anthony J.; Matsumura, M.; McCloskey, J.; Melak, T.; Michel, G.; Morell, Armando; Mosier, C.; Pack, L.; Plants, M.; Robinson, D.; Rodriguez, Louis; Romani, Paul; Schaefer, W. J.; Schmidt, Steve; Trujillo, C.; Vellacott, Tim; Wagner, K.; Yun, D.

1996-10-01

The composite infrared spectrometer (CIRS) is a remote sensing instrument to be flown on the Cassini orbiter. CIRS will retrieve vertical profiles of temperature and gas composition for the atmospheres of Titan and Saturn, from deep in their tropospheres to high in their stratospheres. CIRS will also retrieve information on the thermal properties and composition of Saturn's rings and Saturnian satellites. CIRS consists of a pair of Fourier Transform Spectrometers (FTSs) which together cover the spectral range from 10-1400 cm-1 with a spectral resolution up to 0.5 cm-1. The two interferometers share a 50 cm beryllium Cassegrain telescope. The far-infrared FTS is a polarizing interferometer covering the 10-600 cm-1 range with a pair of thermopile detectors, and a 3.9 mrad field of view. The mid-infrared FTS is a conventional Michelson interferometer covering 200-1400 cm-1 in two spectral bandpasses: 600-1100 cm- 1100-1400 cm(superscript -1 with a 1 by 10 photovoltaic HgCdTe array. Each pixel of the arrays has an approximate 0.3 mrad field of view. The HgCdTe arrays are cooled to approximately 80K with a passive radiative cooler.

Advances in data processing for open-path Fourier transform infrared spectrometry of greenhouse gases.

PubMed

Shao, Limin; Griffiths, Peter R; Leytem, April B

2010-10-01

The automated quantification of three greenhouse gases, ammonia, methane, and nitrous oxide, in the vicinity of a large dairy farm by open-path Fourier transform infrared (OP/FT-IR) spectrometry at intervals of 5 min is demonstrated. Spectral pretreatment, including the automated detection and correction of the effect of interrupting the infrared beam, is by a moving object, and the automated correction for the nonlinear detector response is applied to the measured interferograms. Two ways of obtaining quantitative data from OP/FT-IR data are described. The first, which is installed in a recently acquired commercial OP/FT-IR spectrometer, is based on classical least-squares (CLS) regression, and the second is based on partial least-squares (PLS) regression. It is shown that CLS regression only gives accurate results if the absorption features of the analytes are located in very short spectral intervals where lines due to atmospheric water vapor are absent or very weak; of the three analytes examined, only ammonia fell into this category. On the other hand, PLS regression works allowed what appeared to be accurate results to be obtained for all three analytes.

Development and application of Fourier-transform infrared chemical imaging of tumour in human tissue.

PubMed

Petter, C H; Heigl, N; Rainer, M; Bakry, R; Pallua, J; Bonn, G K; Huck, C W

2009-01-01

Fourier-transform infrared (FT-IR) based mapping and imaging is a fast emerging technology which is being increasingly applied to investigate tissues in the high-throughput mode. The high resolution close to the cellular level, the possibility to determine the bio-distribution of molecules of interest (proteins, peptides, lipids, carbohydrates) without any pre-treatment and the offer to yield molecular structure information have brought evidence that this technique allows to gain new insights in cancer pathology. Thus, several individual mainly protein and peptide cancer markers ("biomarkers") can be identified from FT-IR tissue images, enabling accurate discrimination between healthy and tumour areas. Optimal data acquisition (spatial resolution, spectral resolution, signal to noise ratio), classification, and validation are necessary to establish practical protocols that can be translated to the qualitative and quantitative clinical routine analysis. Thereby, the development of modern fast infrared imaging systems has strongly supported its acceptance in clinical histopathology. In this review, the necessity of analysis based on global cancer statistics, instrumental setups and developments, experimental state of the art are summarised and applications to investigate different kinds of cancer (e.g., prostate, breast, cervical, colon, oral cavity) are shown and discussed in detail.

Quantitative analysis of red wine tannins using Fourier-transform mid-infrared spectrometry.

PubMed

Fernandez, Katherina; Agosin, Eduardo

2007-09-05

Tannin content and composition are critical quality components of red wines. No spectroscopic method assessing these phenols in wine has been described so far. We report here a new method using Fourier transform mid-infrared (FT-MIR) spectroscopy and chemometric techniques for the quantitative analysis of red wine tannins. Calibration models were developed using protein precipitation and phloroglucinolysis as analytical reference methods. After spectra preprocessing, six different predictive partial least-squares (PLS) models were evaluated, including the use of interval selection procedures such as iPLS and CSMWPLS. PLS regression with full-range (650-4000 cm(-1)), second derivative of the spectra and phloroglucinolysis as the reference method gave the most accurate determination for tannin concentration (RMSEC = 2.6%, RMSEP = 9.4%, r = 0.995). The prediction of the mean degree of polymerization (mDP) of the tannins also gave a reasonable prediction (RMSEC = 6.7%, RMSEP = 10.3%, r = 0.958). These results represent the first step in the development of a spectroscopic methodology for the quantification of several phenolic compounds that are critical for wine quality.

Fourier transform infrared spectroscopy microscopic imaging classification based on spatial-spectral features

NASA Astrophysics Data System (ADS)

Liu, Lian; Yang, Xiukun; Zhong, Mingliang; Liu, Yao; Jing, Xiaojun; Yang, Qin

2018-04-01

The discrete fractional Brownian incremental random (DFBIR) field is used to describe the irregular, random, and highly complex shapes of natural objects such as coastlines and biological tissues, for which traditional Euclidean geometry cannot be used. In this paper, an anisotropic variable window (AVW) directional operator based on the DFBIR field model is proposed for extracting spatial characteristics of Fourier transform infrared spectroscopy (FTIR) microscopic imaging. Probabilistic principal component analysis first extracts spectral features, and then the spatial features of the proposed AVW directional operator are combined with the former to construct a spatial-spectral structure, which increases feature-related information and helps a support vector machine classifier to obtain more efficient distribution-related information. Compared to Haralick’s grey-level co-occurrence matrix, Gabor filters, and local binary patterns (e.g. uniform LBPs, rotation-invariant LBPs, uniform rotation-invariant LBPs), experiments on three FTIR spectroscopy microscopic imaging datasets show that the proposed AVW directional operator is more advantageous in terms of classification accuracy, particularly for low-dimensional spaces of spatial characteristics.

Fiber-optic Fourier transform infrared spectroscopy for remote label-free sensing of medical device surface contamination.

PubMed

Hassan, Moinuddin; Tan, Xin; Welle, Elissa; Ilev, Ilko

2013-05-01

As a potential major source of biochemical contamination, medical device surfaces are of critical safety concerns in the clinical practice and public health. The development of innovative sensing methods for accurate and real-time detection of medical device surface contamination is essential to protect patients from high risk infection. In this paper, we demonstrate an alternative fiber-optic Fourier Transform Infrared (FTIR) spectroscopy based sensing approach for remote, non-contact, and label-free detection of biochemical contaminants in the mid-infrared (mid-IR) region. The sensing probe is designed using mid-IR hollow fibers and FTIR measurements are carried out in reflection mode. Bovine Serum Albumin (BSA) and bacterial endotoxin of different concentrations under thoroughly dry condition are used to evaluate the detection sensitivity. The devised system can identify ≤0.0025% (≤4 × 10(11) molecules) BSA and 0.5% (0.5 EU/ml) endotoxin concentration. The developed sensing approach may be applied to detect various pathogens that pose public health threats.

Fiber-optic Fourier transform infrared spectroscopy for remote label-free sensing of medical device surface contamination

NASA Astrophysics Data System (ADS)

Hassan, Moinuddin; Tan, Xin; Welle, Elissa; Ilev, Ilko

2013-05-01

As a potential major source of biochemical contamination, medical device surfaces are of critical safety concerns in the clinical practice and public health. The development of innovative sensing methods for accurate and real-time detection of medical device surface contamination is essential to protect patients from high risk infection. In this paper, we demonstrate an alternative fiber-optic Fourier Transform Infrared (FTIR) spectroscopy based sensing approach for remote, non-contact, and label-free detection of biochemical contaminants in the mid-infrared (mid-IR) region. The sensing probe is designed using mid-IR hollow fibers and FTIR measurements are carried out in reflection mode. Bovine Serum Albumin (BSA) and bacterial endotoxin of different concentrations under thoroughly dry condition are used to evaluate the detection sensitivity. The devised system can identify ≤0.0025% (≤4 × 1011 molecules) BSA and 0.5% (0.5 EU/ml) endotoxin concentration. The developed sensing approach may be applied to detect various pathogens that pose public health threats.

Detection and identification of explosive particles in fingerprints using attenuated total reflection-Fourier transform infrared spectromicroscopy.

PubMed

Mou, Yongyan; Rabalais, J Wayne

2009-07-01

The application of attenuated total reflection (ATR)-Fourier transform infrared (FTIR) spectromicroscopy for detection of explosive particles in fingerprints is described. The combined functions of ATR-FTIR spectromicroscopy are visual searching of particles in fingerprints and measuring the FTIR spectra of the particles. These functions make it possible to directly identify whether a suspect has handled explosives from the fingerprints alone. Particles in explosive contaminated fingerprints are either ingredients of the explosives, finger residues, or other foreign materials. These cannot normally be discriminated by their morphology alone. ATR-FTIR spectra can provide both particle morphology and composition. Fingerprints analyzed by ATR-FTIR can be used for further analysis and identification because of its non-destructive character. Fingerprints contaminated with three different types of explosives, or potential explosives, have been analyzed herein. An infrared spectral library was searched in order to identify the explosive residues. The acquired spectra are compared to those of finger residue alone, in order to differentiate such residue from explosive residue.

Characterization of Thermal Oxides on 4H-SiC Epitaxial Substrates Using Fourier-Transform Infrared Spectroscopy.

PubMed

Seki, Hirofumi; Yoshikawa, Masanobu; Kobayashi, Takuma; Kimoto, Tsunenobu; Ozaki, Yukihiro

2017-05-01

Fourier transform infrared (FT-IR) spectra were measured for thermal oxides with different electrical properties grown on 4H-SiC substrates. The peak frequency of the transverse optical (TO) phonon mode was blue-shifted by 5 cm -1 as the oxide-layer thickness decreased to 3 nm. The blue shift of the TO mode indicates interfacial compressive stress in the oxide. Comparison of data for the oxide on a SiC substrate with that for similar oxides on a Si substrate implies that the peak shift of the TO mode at the SiO 2 /SiC interface is larger than that of SiO 2 /Si, which suggests that the interfacial stress for the oxide on the SiC substrate is larger than that on the Si substrate. For the SiO 2 /SiC interfacial region (<3 nm oxide thickness), despite the fact that the blue shift of the TO modes becomes larger while approaching the oxide/SiC interface, the peak frequency of the TO modes red-shifts at the oxide/SiC interface. The peak-frequency shift of the TO mode for the sample without post-oxidation annealing was larger than that for the samples post-annealed in a nitric oxide atmosphere. The channel mobilities are correlated with the degree of shift of the TO mode when the oxide thickness is <3 nm. It appears that the compressive stress at the SiO 2 /SiC interface generates silicon suboxide components and weakens the Si-O bonds. As the result, the TO mode was red-shifted and the oxygen deficiency increased to relax the compressive stress in the oxide with <3 nm thickness. Fourier transform infrared spectroscopy measurements provide unique and useful information about stress and inhomogeneity at the oxide/SiC interface.

Resampling algorithm for the Spatial Infrared Imaging Telescope (SPIRIT III) Fourier transform spectrometer

NASA Astrophysics Data System (ADS)

Sargent, Steven D.; Greenman, Mark E.; Hansen, Scott M.

1998-11-01

The Spatial Infrared Imaging Telescope (SPIRIT III) is the primary sensor aboard the Midcourse Space Experiment (MSX), which was launched 24 April 1996. SPIRIT III included a Fourier transform spectrometer that collected terrestrial and celestial background phenomenology data for the Ballistic Missile Defense Organization (BMDO). This spectrometer used a helium-neon reference laser to measure the optical path difference (OPD) in the spectrometer and to command the analog-to-digital conversion of the infrared detector signals, thereby ensuring the data were sampled at precise increments of OPD. Spectrometer data must be sampled at accurate increments of OPD to optimize the spectral resolution and spectral position of the transformed spectra. Unfortunately, a failure in the power supply preregulator at the MSX spacecraft/SPIRIT III interface early in the mission forced the spectrometer to be operated without the reference laser until a failure investigation was completed. During this time data were collected in a backup mode that used an electronic clock to sample the data. These data were sampled evenly in time, and because the scan velocity varied, at nonuniform increments of OPD. The scan velocity profile depended on scan direction and scan length, and varied over time, greatly degrading the spectral resolution and spectral and radiometric accuracy of the measurements. The Convert software used to process the SPIRIT III data was modified to resample the clock-sampled data at even increments of OPD, using scan velocity profiles determined from ground and on-orbit data, greatly improving the quality of the clock-sampled data. This paper presents the resampling algorithm, the characterization of the scan velocity profiles, and the results of applying the resampling algorithm to on-orbit data.

Monitoring trace gases in downtown Toronto using open-path Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Byrne, B.; Strong, K.; Colebatch, O.; Fogal, P.; Mittermeier, R. L.; Wunch, D.; Jones, D. B. A.

2017-12-01

Emissions of greenhouse gases (GHGs) in urban environments can be highly heterogeneous. For example, vehicles produce point source emissions which can result in heterogeneous GHG concentrations on scales <10 m. The highly localized scale of these emissions can make it difficult to measure mean GHG concentrations on scales of 100-1000 m. Open-Path Fourier Transform Infrared Spectroscopy (OP-FTIR) measurements offer spatial averaging and continuous measurements of several trace gases simultaneously in the same airmass. We have set up an open-path system in downtown Toronto to monitor trace gases in the urban boundary layer. Concentrations of CO2, CO, CH4, and N2O are derived from atmospheric absorption spectra recorded over a two-way atmospheric open path of 320 m using non-linear least squares fitting. Using a simple box model and co-located boundary layer height measurements, we estimate surface fluxes of these gases in downtown Toronto from our OP-FTIR observations.

Application of Fourier transform infrared (FT-IR) spectroscopy in determination of microalgal compositions.

PubMed

Meng, Yingying; Yao, Changhong; Xue, Song; Yang, Haibo

2014-01-01

Fourier transform infrared spectroscopy (FT-IR) was applied in algal strain screening and monitoring cell composition dynamics in a marine microalga Isochrysis zhangjiangensis during algal cultivation. The content of lipid, carbohydrate and protein of samples determined by traditional methods had validated the accuracy of FT-IR method. For algal screening, the band absorption ratios of lipid/amide I and carbo/amide I from FT-IR measurements allowed for the selection of Isochrysis sp. and Tetraselmis subcordiformis as the most potential lipid and carbohydrate producers, respectively. The cell composition dynamics of I. zhangjiangensis measured by FT-IR revealed the diversion of carbon allocation from protein to carbohydrate and neutral lipid when nitrogen-replete cells were subjected to nitrogen limitation. The carbo/amide I band absorption ratio had also been demonstrated to depict physiological status under nutrient stress in T. subcordiformis. FT-IR serves as a tool for the simultaneous measurement of lipid, carbohydrate, and protein content in cell. Copyright © 2013 Elsevier Ltd. All rights reserved.

A Short Biography of Joseph Fourier and Historical Development of Fourier Series and Fourier Transforms

ERIC Educational Resources Information Center

Debnath, Lokenath

2012-01-01

This article deals with a brief biographical sketch of Joseph Fourier, his first celebrated work on analytical theory of heat, his first great discovery of Fourier series and Fourier transforms. Included is a historical development of Fourier series and Fourier transforms with their properties, importance and applications. Special emphasis is made…

Quantitative analysis of virgin coconut oil in cream cosmetics preparations using fourier transform infrared (FTIR) spectroscopy.

PubMed

Rohman, A; Man, Yb Che; Sismindari

2009-10-01

Today, virgin coconut oil (VCO) is becoming valuable oil and is receiving an attractive topic for researchers because of its several biological activities. In cosmetics industry, VCO is excellent material which functions as a skin moisturizer and softener. Therefore, it is important to develop a quantitative analytical method offering a fast and reliable technique. Fourier transform infrared (FTIR) spectroscopy with sample handling technique of attenuated total reflectance (ATR) can be successfully used to analyze VCO quantitatively in cream cosmetic preparations. A multivariate analysis using calibration of partial least square (PLS) model revealed the good relationship between actual value and FTIR-predicted value of VCO with coefficient of determination (R2) of 0.998.

Rapid determination of Swiss cheese composition by Fourier transform infrared/attenuated total reflectance spectroscopy.

PubMed

Rodriguez-Saona, L E; Koca, N; Harper, W J; Alvarez, V B

2006-05-01

There is a need for rapid and simple techniques that can be used to predict the quality of cheese. The aim of this research was to develop a simple and rapid screening tool for monitoring Swiss cheese composition by using Fourier transform infrared spectroscopy. Twenty Swiss cheese samples from different manufacturers and degree of maturity were evaluated. Direct measurements of Swiss cheese slices (approximately 0.5 g) were made using a MIRacle 3-reflection diamond attenuated total reflectance (ATR) accessory. Reference methods for moisture (vacuum oven), protein content (Kjeldahl), and fat (Babcock) were used. Calibration models were developed based on a cross-validated (leave-one-out approach) partial least squares regression. The information-rich infrared spectral range for Swiss cheese samples was from 3,000 to 2,800 cm(-1) and 1,800 to 900 cm(-1). The performance statistics for cross-validated models gave estimates for standard error of cross-validation of 0.45, 0.25, and 0.21% for moisture, protein, and fat respectively, and correlation coefficients r > 0.96. Furthermore, the ATR infrared protocol allowed for the classification of cheeses according to manufacturer and aging based on unique spectral information, especially of carbonyl groups, probably due to their distinctive lipid composition. Attenuated total reflectance infrared spectroscopy allowed for the rapid (approximately 3-min analysis time) and accurate analysis of the composition of Swiss cheese. This technique could contribute to the development of simple and rapid protocols for monitoring complex biochemical changes, and predicting the final quality of the cheese.

The fractional Fourier transform and applications

NASA Technical Reports Server (NTRS)

Bailey, David H.; Swarztrauber, Paul N.

1991-01-01

This paper describes the 'fractional Fourier transform', which admits computation by an algorithm that has complexity proportional to the fast Fourier transform algorithm. Whereas the discrete Fourier transform (DFT) is based on integral roots of unity e exp -2(pi)i/n, the fractional Fourier transform is based on fractional roots of unity e exp -2(pi)i(alpha), where alpha is arbitrary. The fractional Fourier transform and the corresponding fast algorithm are useful for such applications as computing DFTs of sequences with prime lengths, computing DFTs of sparse sequences, analyzing sequences with noninteger periodicities, performing high-resolution trigonometric interpolation, detecting lines in noisy images, and detecting signals with linearly drifting frequencies. In many cases, the resulting algorithms are faster by arbitrarily large factors than conventional techniques.

Fourier-transform imaging of cotton and botanical and field trash mixtures

USDA-ARS?s Scientific Manuscript database

Botanical and field cotton trash comingled with cotton lint can greatly reduce the marketability and quality of cotton. Trash can be found comingled with cotton lint during harvesting, ginning, and processing, thus this study is of interest. Attenuated Total Reflectance-Fourier Transform Infrared (A...

Hypercomplex Fourier transforms of color images.

PubMed

Ell, Todd A; Sangwine, Stephen J

2007-01-01

Fourier transforms are a fundamental tool in signal and image processing, yet, until recently, there was no definition of a Fourier transform applicable to color images in a holistic manner. In this paper, hypercomplex numbers, specifically quaternions, are used to define a Fourier transform applicable to color images. The properties of the transform are developed, and it is shown that the transform may be computed using two standard complex fast Fourier transforms. The resulting spectrum is explained in terms of familiar phase and modulus concepts, and a new concept of hypercomplex axis. A method for visualizing the spectrum using color graphics is also presented. Finally, a convolution operational formula in the spectral domain is discussed.

High-resolution Fourier transform infrared synchrotron spectroscopy of the NO2 in-plane rock band of nitromethane

NASA Astrophysics Data System (ADS)

Dawadi, Mahesh B.; Twagirayezu, Sylvestre; Perry, David S.; Billinghurst, Brant E.

2015-09-01

The high-resolution rotationally resolved Fourier-transform infrared spectrum of the NO2 in-plane rock band (440-510 cm-1) of nitromethane (CH3NO2) has been recorded using the Far-Infrared Beamline at the Canadian Light Source, with a resolution of 0.00096 cm-1. About 1773 transitions reaching the upper state levels m‧ = 0; Ka‧ ⩽ 7;J‧ ⩽ 50 have been assigned using an automated ground-state combination difference program together with the traditional Loomis-Wood approach. These data from the lowest torsional state, m‧ = 0, were fit using the six-fold torsion-rotation program developed by Ilyushin et al. (2010). The analysis reveals that the rotational energy level structure in the upper vibrational state is similar to that of the ground vibrational state, but the sign and magnitude of high-order constants are significantly changed suggesting the presence of multiple perturbations.

Adulteration of diesel/biodiesel blends by vegetable oil as determined by Fourier transform (FT) near infrared spectrometry and FT-Raman spectroscopy.

PubMed

Oliveira, Flavia C C; Brandão, Christian R R; Ramalho, Hugo F; da Costa, Leonardo A F; Suarez, Paulo A Z; Rubim, Joel C

2007-03-28

In this work it has been shown that the routine ASTM methods (ASTM 4052, ASTM D 445, ASTM D 4737, ASTM D 93, and ASTM D 86) recommended by the ANP (the Brazilian National Agency for Petroleum, Natural Gas and Biofuels) to determine the quality of diesel/biodiesel blends are not suitable to prevent the adulteration of B2 or B5 blends with vegetable oils. Considering the previous and actual problems with fuel adulterations in Brazil, we have investigated the application of vibrational spectroscopy (Fourier transform (FT) near infrared spectrometry and FT-Raman) to identify adulterations of B2 and B5 blends with vegetable oils. Partial least square regression (PLS), principal component regression (PCR), and artificial neural network (ANN) calibration models were designed and their relative performances were evaluated by external validation using the F-test. The PCR, PLS, and ANN calibration models based on the Fourier transform (FT) near infrared spectrometry and FT-Raman spectroscopy were designed using 120 samples. Other 62 samples were used in the validation and external validation, for a total of 182 samples. The results have shown that among the designed calibration models, the ANN/FT-Raman presented the best accuracy (0.028%, w/w) for samples used in the external validation.

Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR FT-IR) Applied to Study the Distribution of Ink Components in Printed Newspapers.

PubMed

Gómez, Nuria; Molleda, Cristina; Quintana, Ester; Carbajo, José M; Rodríguez, Alejandro; Villar, Juan C

2016-09-01

A new method was developed to study how the oil and cyan pigments of cold-set ink are distributed in newspaper thickness. The methodology involved laboratory printing followed by delamination of the printed paper. The unprinted side, printed side, and resulting layers were analyzed using attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR). Three commercial newspapers and black and cyan cold-set inks were chosen for the study. Attenuated total reflection Fourier transform infrared spectroscopy enabled the proportion of oil and cyan pigment on the printed surface and throughout the sheet thickness to be measured. Oil percentage was evaluated as the area increment of the region from 2800 cm(-1) to 3000 cm(-1) The relative amount of cyan pigment was determined as the area of the absorption band at 730 cm(-1) The ink oil was found mainly below half the paper thickness, whereas the pigment was detected at the layers closer to the printed surface, at a depth penetration of less than 15 µm (20% of thickness). Distribution of these two components in paper thickness depended on the type of cold-set ink, the amount of ink transferred, and the newspaper properties. © The Author(s) 2016.

HIGH-RESOLUTION FOURIER TRANSFORM INFRARED SPECTRUM OF THE ν2 + ν12 BAND OF ETHYLENE (12C2H4)

NASA Astrophysics Data System (ADS)

Lebron, G. B.; Tan, T. L.

2013-09-01

The high-resolution Fourier transform infrared absorption spectrum of the ν2 + ν12 combination band of normal ethylene (12C2H4) in the 3050-3105 cm-1 region was recorded at a resolution of 0.0063 cm-1 and at an ambient temperature of 296 K. Upper state rovibrational analysis was carried out using a standard Watson's Hamiltonian in asymmetric reduction in Ir representation. The band center, rotational constants and centrifugal distortion constants up to quartic terms of the upper ν2 + ν12 = 1 state were determined from the final fit that included 102 infrared transitions. The root-mean-square deviation of the fit was 0.000729 cm-1.

Topics In Chemical Instrumentation: Fourier Transformations for Chemists Part I. Introduction to the Fourier Transform.

ERIC Educational Resources Information Center

Glasser, L.

1987-01-01

This paper explores how Fourier Transform (FT) mimics spectral transformation, how this property can be exploited to advantage in spectroscopy, and how the FT can be used in data treatment. A table displays a number of important FT serial/spectral pairs related by Fourier Transformations. A bibliography and listing of computer software related to…

A Unified Method of Finding Laplace Transforms, Fourier Transforms, and Fourier Series. [and] An Inversion Method for Laplace Transforms, Fourier Transforms, and Fourier Series. Integral Transforms and Series Expansions. Modules and Monographs in Undergraduate Mathematics and Its Applications Project. UMAP Units 324 and 325.

ERIC Educational Resources Information Center

Grimm, C. A.

This document contains two units that examine integral transforms and series expansions. In the first module, the user is expected to learn how to use the unified method presented to obtain Laplace transforms, Fourier transforms, complex Fourier series, real Fourier series, and half-range sine series for given piecewise continuous functions. In…

Fourier Transform Infrared Spectroscopy and Photoacoustic Spectroscopy for Saliva Analysis.

PubMed

Mikkonen, Jopi J W; Raittila, Jussi; Rieppo, Lassi; Lappalainen, Reijo; Kullaa, Arja M; Myllymaa, Sami

2016-09-01

Saliva provides a valuable tool for assessing oral and systemic diseases, but concentrations of salivary components are very small, calling the need for precise analysis methods. In this work, Fourier transform infrared (FT-IR) spectroscopy using transmission and photoacoustic (PA) modes were compared for quantitative analysis of saliva. The performance of these techniques was compared with a calibration series. The linearity of spectrum output was verified by using albumin-thiocyanate (SCN(-)) solution at different SCN(-) concentrations. Saliva samples used as a comparison were obtained from healthy subjects. Saliva droplets of 15 µL were applied on the silicon sample substrate, 6 drops for each specimen, and dried at 37 ℃ overnight. The measurements were carried out using an FT-IR spectrometer in conjunction with an accessory unit for PA measurements. The findings with both transmission and PA modes mirror each other. The major bands presented were 1500-1750 cm(-1) for proteins and 1050-1200 cm(-1) for carbohydrates. In addition, the distinct spectral band at 2050 cm(-1) derives from SCN(-) anions, which is converted by salivary peroxidases to hypothiocyanate (OSCN(-)). The correlation between the spectroscopic data with SCN(-) concentration (r > 0.990 for transmission and r = 0.967 for PA mode) was found to be significant (P < 0.01), thus promising to be utilized in future applications. © The Author(s) 2016.

Fourier Transform Infrared Spectroscopy of CF4 on the GEC Reference Cell

NASA Technical Reports Server (NTRS)

Rao, M. V. V. S.; Sharma, S. P.; Meyyappan, M.; Cruden, Brett A.; Arnold, Jim (Technical Monitor)

2001-01-01

Fourier Transform Infrared Spectroscopy (FTIR) has been used to characterize inductively coupled CF4 plasmas in a GEC Reference Cell in-situ In examining these FTIR spectra, several assumptions and approximations of FTIR analysis are addressed. This includes the density dependence of cross-sections, non-linear effects in the addition of overlapping bands and the effect of spatial variations in density and temperature, This analysis demonstrates that temperatures extracted from MR spectra may provide a poor estimate of the true neutral plasma temperature. The FTIR spectra are dominated by unreacted CF, accounting for 40-60% of the gas products. The amount of CF4 consumption is found to have a marked dependence on power, and is nearly independent of pressure in the range of 10-50 mtorr. Small amounts of C2F6 are observed at low power. Also observed are etching products from the quartz window SiF4 COF2 and CO which occur in approximately equal ratios and together account for less than 10% of the gas. The concentrations of these species are nearly independent of pressure. CFx radicals are below the detection limit of this apparatus (approx. 1012/cc).

Comparative study of wine tannin classification using Fourier transform mid-infrared spectrometry and sensory analysis.

PubMed

Fernández, Katherina; Labarca, Ximena; Bordeu, Edmundo; Guesalaga, Andrés; Agosin, Eduardo

2007-11-01

Wine tannins are fundamental to the determination of wine quality. However, the chemical and sensorial analysis of these compounds is not straightforward and a simple and rapid technique is necessary. We analyzed the mid-infrared spectra of white, red, and model wines spiked with known amounts of skin or seed tannins, collected using Fourier transform mid-infrared (FT-MIR) transmission spectroscopy (400-4000 cm(-1)). The spectral data were classified according to their tannin source, skin or seed, and tannin concentration by means of discriminant analysis (DA) and soft independent modeling of class analogy (SIMCA) to obtain a probabilistic classification. Wines were also classified sensorially by a trained panel and compared with FT-MIR. SIMCA models gave the most accurate classification (over 97%) and prediction (over 60%) among the wine samples. The prediction was increased (over 73%) using the leave-one-out cross-validation technique. Sensory classification of the wines was less accurate than that obtained with FT-MIR and SIMCA. Overall, these results show the potential of FT-MIR spectroscopy, in combination with adequate statistical tools, to discriminate wines with different tannin levels.

A technique for phase correction in Fourier transform spectroscopy

NASA Astrophysics Data System (ADS)

Artsang, P.; Pongchalee, P.; Palawong, K.; Buisset, C.; Meemon, P.

2018-03-01

Fourier transform spectroscopy (FTS) is a type of spectroscopy that can be used to analyze components in the sample. The basic setup that is commonly used in this technique is "Michelson interferometer". The interference signal obtained from interferometer can be Fourier transformed into the spectral pattern of the illuminating light source. To experimentally study the concept of the Fourier transform spectroscopy, the project started by setup the Michelson interferometer in the laboratory. The implemented system used a broadband light source in near infrared region (0.81-0.89 μm) and controlled the movable mirror by using computer controlled motorized translation stage. In the early study, there is no sample the interference path. Therefore, the theoretical spectral results after the Fourier transformation of the captured interferogram must be the spectral shape of the light source. One main challenge of the FTS is to retrieve the correct phase information of the inferferogram that relates with the correct spectral shape of the light source. One main source of the phase distortion in FTS that we observed from our system is the non-linear movement of the movable reference mirror of the Michelson interferometer. Therefore, to improve the result, we coupled a monochromatic light source to the implemented interferometer. We simultaneously measured the interferograms of the monochromatic and broadband light sources. The interferogram of the monochromatic light source was used to correct the phase of the interferogram of the broadband light source. The result shows significant improvement in the computed spectral shape.

[Optical-fiber Fourier transform spectrometer].

PubMed

Liu, Yong; Li, Bao-sheng; Liu, Yan; Zhai, Yu-feng; Wang, An

2006-10-01

A novel Fourier transform spectrum analyzer based on a single mode fiber Mach-Zehnder interferometer is reported. An optical fiber Fourier transform spectrometer, with bulk optics components replaced by fiber optical components and with the moving mirror replaced by a piezoelectric element fiber stretcher was constructed. The output spectrum of a LD below threshold was measured. Experiment result agrees with that by using grating spectrum analyzer, showing the feasibility of the optic fiber Fourier transform spectrometer for practical spectrum measurement. Spectrum resolution -7 cm(-1) was obtained in our experiment. The resolution can be further improved by increasing the maximum optical path difference.

Fourier transform mid-infrared (MIR) and near-infrared (NIR) spectroscopy for rapid quality assessment of Chinese medicine preparation Honghua Oil.

PubMed

Wu, Yan-Wen; Sun, Su-Qin; Zhou, Qun; Leung, Hei-Wun

2008-02-13

Honghua Oil (HHO), a traditional Chinese medicine (TCM) oil preparation, is a mixture of several plant essential oils. In this text, the extended ranges of Fourier transform mid-infrared (FT-MIR) and near infrared (FT-NIR) were recorded for 48 commercially available HHOs of different batches from nine manufacturers. The qualitative and quantitative analysis of three marker components, alpha-pinene, methyl salicylate and eugenol, in different HHO products were performed rapidly by the two vibrational spectroscopic methods, i.e. MIR with horizontal attenuated total reflection (HATR) accessory and NIR with direct sampling technique, followed by partial least squares (PLS) regression treatment of the set of spectra obtained. The results indicated that it was successful to identify alpha-pinene, methyl salicylate and eugenol in all of the samples by simple inspection of the MIR-HATR spectra. Both PLS models established with MIR-HATR and NIR spectral data using gas chromatography (GC) peak areas as calibration reference showed a good linear correlation for each of all three target substances in HHO samples. The above spectroscopic techniques may be the promising methods for the rapid quality assessment/quality control (QA/QC) of TCM oil preparations.

A near-infrared Fourier transform Raman spectroscopy of epidermal keratinocytes: changes in the protein?DNA structure following malignant transformation

NASA Astrophysics Data System (ADS)

Gao, Xiaoling; Butler, Ian S.; Kremer, Richard

2005-01-01

We report here the use of near-infrared (NIR) Fourier transform (FT) Raman spectroscopy to analyze normal human epidermal keratinocytes prior to and following malignant transformation. Our analysis indicates specific Raman spectral differences between immortalized (HPK1A) and malignant ras transformed (HPK1A- ras) cells. In addition, striking spectral differences are seen in the DNA isolated from these cells and particularly in the 843/810 cm -1 ratio with values of 1.6 ± 0.13 in HPK1A cells and 0.68 ± 0.09 in HPK1A- ras cells (mean ± S.D., n = 12, P < 0.001) indicating specific alterations in the backbone conformation markers following malignant transformation. Subsequently, we analysed the effect of a strong inhibitor of keratinocyte growth, the Vitamin D analog EB1089, on the Raman spectra of intact cells and on the 843/810 cm -1 ratio in the DNA isolated from both cell lines. Specific changes were observed in intact cells in the 1300-750 cm -1 region. Furthermore, the 843/810cm -1 ratio of isolated DNA from HPK1A cells was not affected by EB1089 but significantly increased in DNA isolated from HPK1A-ras cells so much that it became closer to the value observed for HPK1A cells (1.07 ± 0.10). Our data suggest that Raman analysis of DNA and in particular the 843/810cm -1 ratio can provide useful indices of malignant transformation and efficacy of anticancer agents.

Distribution of Hydroxyl Groups in Kukersite Shale Oil: Quantitative Determination Using Fourier Transform Infrared (FT-IR) Spectroscopy.

PubMed

Baird, Zachariah Steven; Oja, Vahur; Järvik, Oliver

2015-05-01

This article describes the use of Fourier transform infrared (FT-IR) spectroscopy to quantitatively measure the hydroxyl concentrations among narrow boiling shale oil cuts. Shale oil samples were from an industrial solid heat carrier retort. Reference values were measured by titration and were used to create a partial least squares regression model from FT-IR data. The model had a root mean squared error (RMSE) of 0.44 wt% OH. This method was then used to study the distribution of hydroxyl groups among more than 100 shale oil cuts, which showed that hydroxyl content increased with the average boiling point of the cut up to about 350 °C and then leveled off and decreased.

Changes in Attenuated Total Reflection Fourier Transform Infrared Spectra as Blood Dries Out.

PubMed

Zhang, Yinming; Wang, Qi; Li, Bing; Wang, Zhijun; Li, Chengzhi; Yao, Yao; Huang, Ping; Wang, Zhenyuan

2017-05-01

The time since deposition (TSD) of a bloodstain is a valuable piece of evidence for forensic scientists to determine the time at which a crime took place. The objective of this study was to determine whether attenuated total reflection (ATR) Fourier transform infrared (FTIR) spectroscopy could be used to estimate the TSD of a bloodstain in a relatively early period (from 0 min to the time required for the bloodstain to dry out). For this purpose, we used ATR-FTIR to study the variation in absorbance at certain wavelengths as rat and human blood sample dried out. The absorbance at 3308/cm (A3308) was found to have a close correlation with the TSD during this time period, and the changes in A3308 during the drying of rat and human blood drops under the same controlled conditions showed similar results. The current study indicates that ATR-FTIR spectroscopy has potential as a tool for estimating TSD at early time periods of blood deposition. © 2016 American Academy of Forensic Sciences.

Histopathology mapping of biochemical changes in myocardial infarction by Fourier transform infrared spectral imaging.

PubMed

Yang, Tian T; Weng, Shi F; Zheng, Na; Pan, Qing H; Cao, Hong L; Liu, Liang; Zhang, Hai D; Mu, Da W

2011-04-15

Fourier transform infrared (FTIR) imaging and microspectroscopy have been extensively applied in the identification and investigation of both healthy and diseased tissues. FTIR imaging can be used to determine the biodistribution of several molecules of interest (carbohydrates, lipids, proteins) for tissue analysis, without the need for prior staining of these tissues. Molecular structure data, such as protein secondary structure and collagen triple helix exhibits, can also be obtained from the same analysis. Thus, several histopathological lesions, for example myocardial infarction, can be identified from FTIR-analyzed tissue images, the latter which can allow for more accurate discrimination between healthy tissues and pathological lesions. Accordingly, we propose FTIR imaging as a new tool integrating both molecular and histopathological assessment to investigate the degree of pathological changes in tissues. In this study, myocardial infarction is presented as an illustrative example of the wide potential of FTIR imaging for biomedical applications. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

Quantitative determination of amorphous cyclosporine in crystalline cyclosporine samples by Fourier transform infrared spectroscopy.

PubMed

Bertacche, Vittorio; Pini, Elena; Stradi, Riccardo; Stratta, Fabio

2006-01-01

The purpose of this study is the development of a quantification method to detect the amount of amorphous cyclosporine using Fourier transform infrared (FTIR) spectroscopy. The mixing of different percentages of crystalline cyclosporine with amorphous cyclosporine was used to obtain a set of standards, composed of cyclosporine samples characterized by different percentages of amorphous cyclosporine. Using a wavelength range of 450-4,000 cm(-1), FTIR spectra were obtained from samples in potassium bromide pellets and then a partial least squares (PLS) model was exploited to correlate the features of the FTIR spectra with the percentage of amorphous cyclosporine in the samples. This model gave a standard error of estimate (SEE) of 0.3562, with an r value of 0.9971 and a standard error of prediction (SEP) of 0.4168, which derives from the cross validation function used to check the precision of the model. Statistical values reveal the applicability of the method to the quantitative determination of amorphous cyclosporine in crystalline cyclosporine samples.

Minimally invasive screening for colitis using attenuated total internal reflectance Fourier transform infrared spectroscopy

PubMed Central

Titus, Jitto; Viennois, Emilie; Merlin, Didier; Perera, A. G. Unil

2016-01-01

This article describes a rapid, simple and cost-effective technique that could lead to a screening method for colitis without the need for biopsies or in vivo measurements. This screening technique includes the testing of serum using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy for the colitis-induced increased presence of mannose. Chronic (Interleukin 10 knockout) and acute (Dextran Sodium Sulphate-induced) models for colitis are tested using the ATR-FTIR technique. Arthritis (Collagen Antibody Induced Arthritis) and metabolic syndrome (Toll like receptor 5 knockout) models are also tested as controls. The marker identified as mannose uniquely screens and distinguishes the colitic from the non-colitic samples and the controls. The reference or the baseline spectrum could be the pooled and averaged spectra of non-colitic samples or the subject's previous sample spectrum. This shows the potential of having individualized route maps of disease status, leading to personalized diagnosis and drug management. PMID:27094092

Fourier-transform infrared spectroscopy for rapid screening and live-cell monitoring: application to nanotoxicology.

PubMed

Sundaram, S K; Sacksteder, Colette A; Weber, Thomas J; Riley, Brian J; Addleman, R Shane; Harrer, Bruce J; Peterman, John W

2013-01-01

A significant challenge to realize the full potential of nanotechnology for therapeutic and diagnostic applications is to understand and evaluate how live cells interact with an external stimulus, such as a nanosized particle, and the toxicity and broad risk associated with these stimuli. It is difficult to capture the complexity and dynamics of these interactions by following omics-based approaches exclusively, which can be expensive and time-consuming. Attenuated total reflectance-Fourier transform infrared spectroscopy is well suited to provide noninvasive live-cell monitoring of cellular responses to potentially toxic nanosized particles or other stimuli. This alternative approach provides the ability to carry out rapid toxicity screenings and nondisruptive monitoring of live-cell cultures. We review the technical basis of the approach, the instrument configuration and interface with the biological media, the various effects that impact the data, subsequent data analysis and toxicity, and present some preliminary results on live-cell monitoring.

Detection of sugar adulterants in apple juice using fourier transform infrared spectroscopy and chemometrics.

PubMed

Kelly, J F Daniel; Downey, Gerard

2005-05-04

Fourier transform infrared spectroscopy and attenuated total reflection sampling have been used to detect adulteration of single strength apple juice samples. The sample set comprised 224 authentic apple juices and 480 adulterated samples. Adulterants used included partially inverted cane syrup (PICS), beet sucrose (BS), high fructose corn syrup (HFCS), and a synthetic solution of fructose, glucose, and sucrose (FGS). Adulteration was carried out on individual apple juice samples at levels of 10, 20, 30, and 40% w/w. Spectral data were compressed by principal component analysis and analyzed using k-nearest neighbors and partial least squares regression techniques. Prediction results for the best classification models achieved an overall (authentic plus adulterated) correct classification rate of 96.5, 93.9, 92.2, and 82.4% for PICS, BS, HFCS, and FGS adulterants, respectively. This method shows promise as a rapid screening technique for the detection of a broad range of potential adulterants in apple juice.

Intelligent Controller for a Compact Wide-Band Compositional Infrared Fourier Transform Spectrometer

NASA Astrophysics Data System (ADS)

Yiu, P.; Keymeulen, D.; Berisford, D. F.; Hand, K. P.; Carlson, R. W.

2013-12-01

This paper presents the design and integration of an intelligent controller for CIRIS (Compositional InfraRed Interferometric Spectrometer) on a stand-alone field programmable gate array (FPGA) architecture. CIRIS is a novel take on traditional Fourier Transform Spectrometers (FTS) and replaces linearly moving mirrors (characteristic of Michelson interferometers) with a constant-velocity rotating refractor to variably phase shift and alter the path length of incoming light. This design eliminates the need for periodically accelerating/decelerating mirrors inherent to canonical Michelson designs and allows for a compact and robust device that is intrinsically radiation-hard, making it ideal for spaceborne measurements in the near-IR to thermal-IR band (2-12 μm) on planetary exploration missions. A traditional Michelson FTS passes a monochromatic light source (incident light from the sample) through a system of refractors/mirrors followed by a mirror moving linearly in the plane of the incident light. This process selectively blocks certain wavelengths and permits measurement of the sample's absorption rates as a function of the wavelengths blocked to produce an 'inteferogram.' This is subsequently processed using a Fourier transform to obtain the sample's spectrum and ascertain the sample's composition. With our prototype CIRIS instrument in development at Design and Prototype Inc. and NASA-JPL, we propose the use of a rotating refractor spinning at a constant velocity to variably phase shift incident light to the detector as an alternative to a linearly moving mirror. This design eliminates sensitivity to vibrations, minimizing path length and non-linear errors due to minor perturbations to the system, in addition to facilitating compact design critical to meeting the strict volume requirements of spacecraft. Further, this is done without sacrificing spectral resolution or throughput when compared to Michelson or diffractive designs. While Michelson designs

High-Resolution Fourier Transform Infrared Spectrum of the ν 12 Fundamental Band of Ethylene (C 2H 4)

NASA Astrophysics Data System (ADS)

Tan, T. L.; Lau, S. Y.; Ong, P. P.; Goh, K. L.; Teo, H. H.

2000-10-01

The infrared spectrum of the ν12 fundamental band of ethylene (C2H4) has been measured with an unapodized resolution of 0.004 cm-1 in the frequency range of 1380-1500 cm-1 using the Fourier transform technique. By assigning and fitting a total of 1387 infrared transitions using a Watson's A-reduced Hamiltonian in the Ir representation, rovibrational constants for the upper state (v12 = 1) up to five quartic and three sextic centrifugal distortions terms were derived. They represent the most accurate constants for the band so far. The rms deviation of the fit was 0.00033 cm-1. The A-type ν12 band with a band center at 1442.44299 ± 0.00003 cm-1 was found to be relatively free from local frequency perturbations. The inertial defect Δ12 was found to be 0.24201 ± 0.00002 u Å2.

Application of linear discriminant analysis and Attenuated Total Reflectance Fourier Transform Infrared microspectroscopy for diagnosis of colon cancer.

PubMed

Khanmohammadi, Mohammadreza; Bagheri Garmarudi, Amir; Samani, Simin; Ghasemi, Keyvan; Ashuri, Ahmad

2011-06-01

Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) microspectroscopy was applied for detection of colon cancer according to the spectral features of colon tissues. Supervised classification models can be trained to identify the tissue type based on the spectroscopic fingerprint. A total of 78 colon tissues were used in spectroscopy studies. Major spectral differences were observed in 1,740-900 cm(-1) spectral region. Several chemometric methods such as analysis of variance (ANOVA), cluster analysis (CA) and linear discriminate analysis (LDA) were applied for classification of IR spectra. Utilizing the chemometric techniques, clear and reproducible differences were observed between the spectra of normal and cancer cases, suggesting that infrared microspectroscopy in conjunction with spectral data processing would be useful for diagnostic classification. Using LDA technique, the spectra were classified into cancer and normal tissue classes with an accuracy of 95.8%. The sensitivity and specificity was 100 and 93.1%, respectively.

An optical Fourier transform coprocessor with direct phase determination.

PubMed

Macfaden, Alexander J; Gordon, George S D; Wilkinson, Timothy D

2017-10-20

The Fourier transform is a ubiquitous mathematical operation which arises naturally in optics. We propose and demonstrate a practical method to optically evaluate a complex-to-complex discrete Fourier transform. By implementing the Fourier transform optically we can overcome the limiting O(nlogn) complexity of fast Fourier transform algorithms. Efficiently extracting the phase from the well-known optical Fourier transform is challenging. By appropriately decomposing the input and exploiting symmetries of the Fourier transform we are able to determine the phase directly from straightforward intensity measurements, creating an optical Fourier transform with O(n) apparent complexity. Performing larger optical Fourier transforms requires higher resolution spatial light modulators, but the execution time remains unchanged. This method could unlock the potential of the optical Fourier transform to permit 2D complex-to-complex discrete Fourier transforms with a performance that is currently untenable, with applications across information processing and computational physics.

Instrumental concept and preliminary performances of SIFTI: static infrared fourier transform interferometer

NASA Astrophysics Data System (ADS)

Hébert, Philippe-Jean; Cansot, E.; Pierangelo, C.; Buil, C.; Bernard, F.; Loesel, J.; Trémas, T.; Perrin, L.; Courau, E.; Casteras, C.; Maussang, I.; Simeoni, D.

2017-11-01

The SIFTI (Static Infrared Fourier Transform Interferometer) instrument aims at supporting an important part in a mission for atmospheric pollution sounding from space, by providing high spectral resolution and high Signal to Noise Ratio spectra of the atmosphere. They will allow to resolve tropospheric profiles of ozone (03) and carbon monoxide (C0), especially down to the planetary boundary layer (PBL), an altitude region of very high interest, though poorly monitored to date, for air quality and pollution monitoring. The retrieved profile of ozone, resp. C0, will contain 5 to 7, resp. 2.5 to 4, independent pieces of information. The French space agency CNES (Centre National d'Etudes Spatiales) has proposed and is studying an instrument concept for SIFTI based on a static interferometer, where the needed optical path are generated by a pair of crossed staircase fixed mirrors (replacing the moving reflector of dynamic Fourier transform interferometers like IASI or MIPAS). With the SIFTI design, a very high spectral resolution ( 0.1 cm-1 apodised) is achieved in a very compact optical setup, allowing a large throughput, hence a high SNR. The measurements are performed in the 9.5 μm band for 03 and in the 4.6 μm band for C0. The science return of the sounder can be further increased if an "intelligent pointing" process is implemented. This consists in combining the TIR sounder with a companion TIR imager, providing information on the cloud coverage in the next observed scene. 0nboard, real-time analysis of the IR image is used to command the sounder staring mirror to cloud free areas, which will maximize the probability for probing down to the surface. After the first part of the phase A, the architecture of SIFTI was studied as a trade-off between performance and resource budget. We review the main architecture and functional choices, and their advantages. The preliminary instrument concept is then presented in its main aspects and in terms of main subsystem

Implementation of quantum and classical discrete fractional Fourier transforms.

PubMed

Weimann, Steffen; Perez-Leija, Armando; Lebugle, Maxime; Keil, Robert; Tichy, Malte; Gräfe, Markus; Heilmann, René; Nolte, Stefan; Moya-Cessa, Hector; Weihs, Gregor; Christodoulides, Demetrios N; Szameit, Alexander

2016-03-23

Fourier transforms, integer and fractional, are ubiquitous mathematical tools in basic and applied science. Certainly, since the ordinary Fourier transform is merely a particular case of a continuous set of fractional Fourier domains, every property and application of the ordinary Fourier transform becomes a special case of the fractional Fourier transform. Despite the great practical importance of the discrete Fourier transform, implementation of fractional orders of the corresponding discrete operation has been elusive. Here we report classical and quantum optical realizations of the discrete fractional Fourier transform. In the context of classical optics, we implement discrete fractional Fourier transforms of exemplary wave functions and experimentally demonstrate the shift theorem. Moreover, we apply this approach in the quantum realm to Fourier transform separable and path-entangled biphoton wave functions. The proposed approach is versatile and could find applications in various fields where Fourier transforms are essential tools.

Implementation of quantum and classical discrete fractional Fourier transforms

PubMed Central

Weimann, Steffen; Perez-Leija, Armando; Lebugle, Maxime; Keil, Robert; Tichy, Malte; Gräfe, Markus; Heilmann, René; Nolte, Stefan; Moya-Cessa, Hector; Weihs, Gregor; Christodoulides, Demetrios N.; Szameit, Alexander

2016-01-01

Fourier transforms, integer and fractional, are ubiquitous mathematical tools in basic and applied science. Certainly, since the ordinary Fourier transform is merely a particular case of a continuous set of fractional Fourier domains, every property and application of the ordinary Fourier transform becomes a special case of the fractional Fourier transform. Despite the great practical importance of the discrete Fourier transform, implementation of fractional orders of the corresponding discrete operation has been elusive. Here we report classical and quantum optical realizations of the discrete fractional Fourier transform. In the context of classical optics, we implement discrete fractional Fourier transforms of exemplary wave functions and experimentally demonstrate the shift theorem. Moreover, we apply this approach in the quantum realm to Fourier transform separable and path-entangled biphoton wave functions. The proposed approach is versatile and could find applications in various fields where Fourier transforms are essential tools. PMID:27006089

CF2 Detection in Radio-Frequency Ar/CHF3 Plasmas by Fourier Transform Infrared Spectroscopy

NASA Technical Reports Server (NTRS)

Kim, J. S.; Rao, M. V. V. S.; Cappelli, M. A.; Sharma, S. P.

1999-01-01

CFx radicals, in particular CF2, are instrumental in anisotropic etching of SiO2. In order to optimize the CFx radical population in a given process environment, it is imperative that we understand their production mechanism. Towards this goal, we have conducted a series of quantitative measurements of CF2 radicals in low pressure RF plasmas similar to those used in SiO2 etching. In this study, we present preliminary results for Ar/CHF3 plasmas operating at pressures ranging from 10-50 mTorr and powers ranging from 100-500 W in the GEC reference cell, modified for inductive (transformer) coupling. Fourier transform infrared (FTIR) spectroscop) is used to observe the absorption features of the CF2 radical in the 1114 cm-1 and 1096 cm-1 spectral regions. The FTIR spectrometer is equipped with a high-sensitivity mercury cadmium telluride (MCT) detector and has afixed resolution of 0.125 cm- 1. The CF2 concentrations are measured for a range of operating pressures and discharge power levels, and are compared to measurements of the relative CF2 concentrations made by mass spectrometry using the method of appearance potential for radical selectivity.

Analysis of aircraft exhausts with Fourier-transform infrared emission spectroscopy.

PubMed

Heland, J; Schäfer, K

1997-07-20

Because of the worldwide growth in air traffic and its increasing effects on the atmospheric environment, it is necessary to quantify the direct aircraft emissions at all altitudes. In this study Fourier-transform infrared emission spectroscopy as a remote-sensing multi-component-analyzing technique for aircraft exhausts was investigated at ground level with a double pendulum interferometer and a line-by-line computer algorithm that was applied to a multilayer radiative transfer problem. Initial measurements were made to specify the spectral windows for traceable compounds, to test the sensitivity of the system, and to develop calibration and continuum handling procedures. To obtain information about the radial temperature and concentration profiles, we developed an algorithm for the analysis of an axial-symmetric multilayered plume by use of the CO(2) hot band at approximately 2400 cm(-1). Measurements were made with several in-service engines. Effects that were due to engine aging were detected but have to be analyzed systematically in the near future. Validation measurements were carried out with a conventional propane gas burner to compare the results with those obtained with standard measurement equipment. These measurements showed good agreement to within +/-20% for the CO and NO(x) results. The overall accuracy of the system was found to be +/-30%. The detection limits of the system for a typical engine plume (380 degrees C, ? = 50 cm) are below 0.1% for CO(2), ~0.7% for H(2)O, ~20 ppmv (parts per million by volume) for CO, and ~90 ppmv for NO.

Does Nonlinear Modeling Play a Role in Plasmid Bioprocess Monitoring Using Fourier Transform Infrared Spectra?

PubMed

Lopes, Marta B; Calado, Cecília R C; Figueiredo, Mário A T; Bioucas-Dias, José M

2017-06-01

The monitoring of biopharmaceutical products using Fourier transform infrared (FT-IR) spectroscopy relies on calibration techniques involving the acquisition of spectra of bioprocess samples along the process. The most commonly used method for that purpose is partial least squares (PLS) regression, under the assumption that a linear model is valid. Despite being successful in the presence of small nonlinearities, linear methods may fail in the presence of strong nonlinearities. This paper studies the potential usefulness of nonlinear regression methods for predicting, from in situ near-infrared (NIR) and mid-infrared (MIR) spectra acquired in high-throughput mode, biomass and plasmid concentrations in Escherichia coli DH5-α cultures producing the plasmid model pVAX-LacZ. The linear methods PLS and ridge regression (RR) are compared with their kernel (nonlinear) versions, kPLS and kRR, as well as with the (also nonlinear) relevance vector machine (RVM) and Gaussian process regression (GPR). For the systems studied, RR provided better predictive performances compared to the remaining methods. Moreover, the results point to further investigation based on larger data sets whenever differences in predictive accuracy between a linear method and its kernelized version could not be found. The use of nonlinear methods, however, shall be judged regarding the additional computational cost required to tune their additional parameters, especially when the less computationally demanding linear methods herein studied are able to successfully monitor the variables under study.

Fourier transform ion cyclotron resonance mass spectrometry

NASA Astrophysics Data System (ADS)

Marshall, Alan G.

1998-06-01

As for Fourier transform infrared (FT-IR) interferometry and nuclear magnetic resonance (NMR) spectroscopy, the introduction of pulsed Fourier transform techniques revolutionized ion cyclotron resonance mass spectrometry: increased speed (factor of 10,000), increased sensitivity (factor of 100), increased mass resolution (factor of 10,000-an improvement not shared by the introduction of FT techniques to IR or NMR spectroscopy), increased mass range (factor of 500), and automated operation. FT-ICR mass spectrometry is the most versatile technique for unscrambling and quantifying ion-molecule reaction kinetics and equilibria in the absence of solvent (i.e., the gas phase). In addition, FT-ICR MS has the following analytically important features: speed (~1 second per spectrum); ultrahigh mass resolution and ultrahigh mass accuracy for analysis of mixtures and polymers; attomole sensitivity; MSn with one spectrometer, including two-dimensional FT/FT-ICR/MS; positive and/or negative ions; multiple ion sources (especially MALDI and electrospray); biomolecular molecular weight and sequencing; LC/MS; and single-molecule detection up to 108 Dalton. Here, some basic features and recent developments of FT-ICR mass spectrometry are reviewed, with applications ranging from crude oil to molecular biology.

To See the World in a Grain of Sand: Recognizing the Origin of Sand Specimens by Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Multivariate Exploratory Data Analysis

ERIC Educational Resources Information Center

Pezzolo, Alessandra De Lorenzi

2011-01-01

The diffuse reflectance infrared Fourier transform (DRIFT) spectra of sand samples exhibit features reflecting their composition. Basic multivariate analysis (MVA) can be used to effectively sort subsets of homogeneous specimens collected from nearby locations, as well as pointing out similarities in composition among sands of different origins.…

Rovibrational Constants for the ν 6 and 2ν 9 Bands of HCOOD by Fourier Transform Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Tan, T. L.; Goh, K. L.; Ong, P. P.; Teo, H. H.

1999-11-01

The Fourier transform infrared spectrum of the ν6 and 2ν9 bands of deuterated formic acid (HCOOD) was recorded with an apodized resolution of 0.004 cm-1 in the frequency range of 930-1040 cm-1. These two bands with band centers 40 cm-1 apart were mutually coupled by Coriolis and Fermi interactions. By fitting a total of 1076 infrared transitions of both ν6 and 2ν9 with a standard deviation of 0.00075 cm-1 using a Watson's A-reduced Hamiltonian in the Ir representation with the inclusion of c-type Coriolis and a Fermi-resonance term, two sets of rovibrational constants for v6 = 1, and v9 = 2 states were derived for the first time. Both ν6 and 2ν9 bands are A type with band centers at 972.8520 ± 0.0001 and 1011.6766 ± 0.0001 cm-1, respectively.

Fourier Transform Infrared Spectroscopy (FTIR) and Multivariate Analysis for Identification of Different Vegetable Oils Used in Biodiesel Production

PubMed Central

Mueller, Daniela; Ferrão, Marco Flôres; Marder, Luciano; da Costa, Adilson Ben; de Cássia de Souza Schneider, Rosana

2013-01-01

The main objective of this study was to use infrared spectroscopy to identify vegetable oils used as raw material for biodiesel production and apply multivariate analysis to the data. Six different vegetable oil sources—canola, cotton, corn, palm, sunflower and soybeans—were used to produce biodiesel batches. The spectra were acquired by Fourier transform infrared spectroscopy using a universal attenuated total reflectance sensor (FTIR-UATR). For the multivariate analysis principal component analysis (PCA), hierarchical cluster analysis (HCA), interval principal component analysis (iPCA) and soft independent modeling of class analogy (SIMCA) were used. The results indicate that is possible to develop a methodology to identify vegetable oils used as raw material in the production of biodiesel by FTIR-UATR applying multivariate analysis. It was also observed that the iPCA found the best spectral range for separation of biodiesel batches using FTIR-UATR data, and with this result, the SIMCA method classified 100% of the soybean biodiesel samples. PMID:23539030

High throughput operando studies using Fourier transform infrared imaging and Raman spectroscopy.

PubMed

Li, Guosheng; Hu, Dehong; Xia, Guanguang; White, J M; Zhang, Conrad

2008-07-01

A prototype high throughput operando (HTO) reactor designed and built for catalyst screening and characterization combines Fourier transform infrared (FT-IR) imaging and Raman spectroscopy in operando conditions. Using a focal plane array detector (HgCdTe focal plane array, 128x128 pixels, and 1610 Hz frame rate) for the FT-IR imaging system, the catalyst activity and selectivity of all parallel reaction channels can be simultaneously followed. Each image data set possesses 16 384 IR spectra with a spectral range of 800-4000 cm(-1) and with an 8 cm(-1) resolution. Depending on the signal-to-noise ratio, 2-20 s are needed to generate a full image of all reaction channels for a data set. Results on reactant conversion and product selectivity are obtained from FT-IR spectral analysis. Six novel Raman probes, one for each reaction channel, were specially designed and house built at Pacific Northwest National Laboratory, to simultaneously collect Raman spectra of the catalysts and possible reaction intermediates on the catalyst surface under operando conditions. As a model system, methanol partial oxidation reaction on silica-supported molybdenum oxide (MoO3SiO2) catalysts has been studied under different reaction conditions to demonstrate the performance of the HTO reactor.

Field evaluation of Fourier transform infrared continuous emissions monitoring (FTIR CEM) systems

NASA Astrophysics Data System (ADS)

Dunder, Thomas A.; Geyer, Thomas J.; Kinner, Laura L.; Plummer, Grant M.

1995-02-01

Recent environmental regulations, including the Clean Air Act and the Enhanced Monitoring Regulations, may require continuous emissions monitoring (CEM) of hazardous air pollutants (HAPs). A promising technique for this application is Fourier transform infrared spectroscopy (FTIR). FTIR spectroscopy can, in principle, be used to monitor virtually any gas phase species. Two evaluations of FTIR CEM systems are discussed. The first study, performed in 1993 - 94, compared two FTIR CEM systems on a side-by-side basis in an extended field test at two coal-fired electric power plants. The FTIR CEM systems monitored the legally mandated criteria pollutants and diluents (CO, CO2, NO, NO2, and SO2) as well as H2O. In addition, one system monitored two HAPs (HCl and HF) and NH3. The FTIR CEM measurements were compared with those from the compliance CEM systems at the facilities. Several relative accuracy test audits were also performed to verify the FTIR CEM accuracy. The second evaluation was recently commenced on behalf of the Environmental Protection Agency. In this study, FTIR CEM systems are evaluated specifically for the monitoring of HAP species by conducting laboratory and field tests. The evaluation culminates in the development of proposed performance specifications and protocols for FTIR CEM systems.

Comparative investigation of Fourier Transform Infrared (FT-IR) spectroscopy and X-ray Diffraction (XRD) in the determination of cotton fiber crystallinity

USDA-ARS?s Scientific Manuscript database

Despite considerable efforts in developing the curve-fitting protocol to evaluate the crystallinity index (CI) from the X-ray diffraction (XRD) measurement, in its present state XRD procedure can only provide a qualitative or semi-quantitative assessment of the amounts of crystalline or amorphous po...

Characterization of the surfaces of platinum/tin oxide based catalysts by Fourier Transform Infrared Spectroscopy (FTIR)

NASA Technical Reports Server (NTRS)

Keiser, Joseph T.; Upchurch, Billy T.

1990-01-01

A Pt/SnO2 catalyst has been developed at NASA Langley that is effective for the oxidation of CO at room temperature (1). A mechanism has been proposed to explain the effectiveness of this catalyst (2), but most of the species involved in this mechanism have not been observed under actual catalytic conditions. A number of these species are potentially detectable by Fourier Transform Infrared Spectroscopy (FTIR), e.g., HOSnO sub x, HO sub y PtO sub z, Pt-CO, and SnHCO3. Therefore a preliminary investigation was conducted to determine what might be learned about this particular catalyst by transmission FTIR. The main advantage of FTIR for this work is that the catalyst can be examined under conditions similar to the actual catalytic conditions. This can be of critical importance since some surface species may exist only when the reaction gases are present. Another advantage of the infrared approach is that since vibrations are probed, subtle chemical details may be obtained. The main disadvantage of this approach is that FTIR is not nearly as sensitive as the Ultra High Vacuum (UHV) surface analytical techniques such as Auger, Electron Spectroscopy for Chemical Analysis (ESCA), Electron Energy Loss Spectroscopy (EELS), etc. Another problem is that the assignment of the observed infrared bands may be difficult.

High-definition Fourier Transform Infrared (FT-IR) Spectroscopic Imaging of Human Tissue Sections towards Improving Pathology

PubMed Central

Nguyen, Peter L.; Davidson, Bennett; Akkina, Sanjeev; Guzman, Grace; Setty, Suman; Kajdacsy-Balla, Andre; Walsh, Michael J.

2015-01-01

High-definition Fourier Transform Infrared (FT-IR) spectroscopic imaging is an emerging approach to obtain detailed images that have associated biochemical information. FT-IR imaging of tissue is based on the principle that different regions of the mid-infrared are absorbed by different chemical bonds (e.g., C=O, C-H, N-H) within cells or tissue that can then be related to the presence and composition of biomolecules (e.g., lipids, DNA, glycogen, protein, collagen). In an FT-IR image, every pixel within the image comprises an entire Infrared (IR) spectrum that can give information on the biochemical status of the cells that can then be exploited for cell-type or disease-type classification. In this paper, we show: how to obtain IR images from human tissues using an FT-IR system, how to modify existing instrumentation to allow for high-definition imaging capabilities, and how to visualize FT-IR images. We then present some applications of FT-IR for pathology using the liver and kidney as examples. FT-IR imaging holds exciting applications in providing a novel route to obtain biochemical information from cells and tissue in an entirely label-free non-perturbing route towards giving new insight into biomolecular changes as part of disease processes. Additionally, this biochemical information can potentially allow for objective and automated analysis of certain aspects of disease diagnosis. PMID:25650759

Remote Skin Tissue Diagnostics In Vivo By Fiber Optic Evanescent Wave Fourier Transform Infrared (FEW-FTIR) Spectroscopy

NASA Astrophysics Data System (ADS)

Kolyakov, Sergei; Afanasyeva, Natalia; Bruch, Reinhard; Afanasyeva, Natalia

1998-05-01

The new method of fiber optical evanescent wave Fourier transform infrared (FEW-FTIR) spectroscopy has been applied to the diagnostics of normal skin tissue, as well as precancerous and cancerous conditions. The FEW-FTIR technique is nondestructive and sensitive to changes of vibrational spectra in the IR region, without heating and damaging human and animal skin tissue. Therefore this method and technique is an ideal diagnostic tool for tumor and cancer characterization at an early stage of development on a molecular level. The application of fiber optic technology in the middle infrared (MIR) region is relatively inexpensive and can be adapted easily to any commercially available tabletop FTIR spectrometers. This method of diagnostics is fast (several seconds), and can be applied to many fields. Noninvasive medical diagnostics of skin cancer and other skin diseases in vivo, ex vivo, and in vitro allow for the development of convenient, remote clinical applications in dermatology and related fields. The spectral variations from normal to pathological skin tissue and environmental influence on skin have been measured.

Concentration determination of collagen and proteoglycan in bovine nasal cartilage by Fourier transform infrared imaging and PLS

NASA Astrophysics Data System (ADS)

Zhang, Xuexi; Xiao, Zhi-Yan; Yin, Jianhua; Xia, Yang

2014-09-01

Fourier transform infrared imaging (FTIRI) combined with chemometrics can be used to detect the structure of bio-macromolecule, measure the concentrations of some components, and so on. In this study, FTIRI with Partial Least-Squares (PLS) regression was applied to study the concentration of two main components in bovine nasal cartilage (BNC), collagen and proteoglycan. An infrared spectrum library was built by mixing the collagen and chondroitin 6-sulfate (main of proteoglycan) at different ratios. Some pretreatments are needed for building PLS model. FTIR images were collected from BNC sections at 6.25μm and 25μm pixel size. The spectra extracted from BNC-FTIR images were imported into the PLS regression program to predict the concentrations of collagen and proteoglycan. These PLS-determined concentrations are agreed with the result in our previous work and biochemical analytical results. The prediction shows that the concentrations of collagen and proteoglycan in BNC are comparative on the whole. However, the concentration of proteoglycan is a litter higher than that of collagen, to some extent.

Discrimination of healthy and osteoarthritic articular cartilage by Fourier transform infrared imaging and Fisher’s discriminant analysis

PubMed Central

Mao, Zhi-Hua; Yin, Jian-Hua; Zhang, Xue-Xi; Wang, Xiao; Xia, Yang

2016-01-01

Fourier transform infrared spectroscopic imaging (FTIRI) technique can be used to obtain the quantitative information of content and spatial distribution of principal components in cartilage by combining with chemometrics methods. In this study, FTIRI combining with principal component analysis (PCA) and Fisher’s discriminant analysis (FDA) was applied to identify the healthy and osteoarthritic (OA) articular cartilage samples. Ten 10-μm thick sections of canine cartilages were imaged at 6.25μm/pixel in FTIRI. The infrared spectra extracted from the FTIR images were imported into SPSS software for PCA and FDA. Based on the PCA result of 2 principal components, the healthy and OA cartilage samples were effectively discriminated by the FDA with high accuracy of 94% for the initial samples (training set) and cross validation, as well as 86.67% for the prediction group. The study showed that cartilage degeneration became gradually weak with the increase of the depth. FTIRI combined with chemometrics may become an effective method for distinguishing healthy and OA cartilages in future. PMID:26977354

[Comparative studies on the characteristics of the Fourier-transform infrared spectra between sturgeon and shark chondroitin sulfates].

PubMed

Zheng, Jiang; Guan, Rui-Zhang; Huang, Shi-Yu

2008-01-01

The characteristics of the Fourier-transform infrared spectra of sturgeon and shark chondroitin sulfates (CHSs) were comparatively studied. The results show that sturgeon CHS exhibits special vibrations at the wavenumbers of 1 376, 1 344, 1 310, 1 157, 883 and 856 cm(-1). Further analysis shows that shark CHS contains 6-sulfated-CHS, while sturgeon CHS contains 4, 6-disulfated CHS, indicating that sturgeon CHS could have higher biological activities in decreasing the toxicity of medicine and in killing cancer cells. In general, the two kinds of CHSs have similar infrared spectra and groups of acylamino, carboxyl, sulfate, and saccharide ring. But the N-H variable-angle vibration of acylamino group of sturgeon CHS occurs at the higher wavenumber, and the vibration intensity of carboxyl group at 1 415 cm(-1) is also stronger than that of shark CHS. Chemical analysis shows that sturgeon CHS has a higher content of glucuronic acid, suggesting that it probably could be a better kind of medical materials for the bone mineralization.

Attenuated total reflection fourier transform infrared spectroscopy towards disclosing mechanism of bacterial adhesion on thermally stabilized titanium nano-interfaces.

PubMed

Gopal, Judy; Chun, Sechul; Doble, Mukesh

2016-08-01

Titanium is widely used as medical implant material and as condenser material in the nuclear industry where its integrity is questioned due to its susceptibility to bacterial adhesion. A systematic investigation on the influence of thermally (50-800 °C) stabilized titanium (TS-Ti) nano oxide towards bacterial adhesion was carried out. The results showed that below 350 °C significant bacterio-phobicity was observed, while above 500 °C significant affinity towards bacterial cells was recorded. Conventional characterization tools such as HR-TEM and XRD did not provide much insight on the changes occurring on the oxide film with heat treatment, however, attenuated total reflection fourier transform infrared spectroscopy (ATR-FTIR) of the surface showed significant changes in the spectral pattern as a function of increasing heat treatment. It was observed that elevated OH, N-H and C=O groups and rutile titania on the TS-Ti oxide films led to higher affinity for bacterial adhesion. On the other hand low temperature TS-Ti nanooxide films (<350 °C) showed high C-H groups and decreased OH groups on their surface, which possibly contributed towards their bacterio-phobicity. The TS-Ti nanooxide film grown at 50 °C was observed to be the most efficient anti-bacterial adhesion interface, while the 800 °C interface was the one showing highest affinity towards bacterial adhesion. This study confirms the successful application of ATR-FTIR technique for nano-oxide film characterization and towards understanding the variations in bacterial interaction of such nano interfaces.

Classification of select category A and B bacteria by Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Samuels, Alan C.; Snyder, A. Peter; St. Amant, Diane; Emge, Darren K.; Minter, Jennifer; Campbell, Mark; Tripathi, Ashish

2008-04-01

Relatively few reports have investigated the determination and classification of pathogens such as the National Institute of Allergy and Infectious Diseases (NIAID) Category A Bacillus anthracis spores and cells (BA), Yersinia species, Francisella tularensis (FT), and Category B Brucella species from FTIR spectra. We investigated the classification ability of the Fourier transform infrared (FTIR) spectra of viable pathogenic and non-pathogenic NIAID Category A and B bacteria. The impact of different growth media, growth time and temperature, rolling circle filter of the data, and wavelength range were investigated for their microorganism differentiation. Various 2-D PC plots provided differential degrees of separation with respect to the four viable, bacterial genera including the BA sub-categories of pathogenic spores, vegetative cells, and nonpathogenic vegetative cells. FT spectra were separated from that of the three other genera. The BA pathogenic spore strains 1029, LA1, and Ames were clearly differentiated from the rest of the dataset. Yersinia species were distinctly separated from the remaining dataset and could also be classified by growth media. This work provided evidence that FTIR spectroscopy can separate the four major pathogenic bacterial genera of NIAID Category A and B biological threat agents.

Prediction of valid acidity in intact apples with Fourier transform near infrared spectroscopy.

PubMed

Liu, Yan-De; Ying, Yi-Bin; Fu, Xia-Ping

2005-03-01

To develop nondestructive acidity prediction for intact Fuji apples, the potential of Fourier transform near infrared (FT-NIR) method with fiber optics in interactance mode was investigated. Interactance in the 800 nm to 2619 nm region was measured for intact apples, harvested from early to late maturity stages. Spectral data were analyzed by two multivariate calibration techniques including partial least squares (PLS) and principal component regression (PCR) methods. A total of 120 Fuji apples were tested and 80 of them were used to form a calibration data set. The influences of different data preprocessing and spectra treatments were also quantified. Calibration models based on smoothing spectra were slightly worse than that based on derivative spectra, and the best result was obtained when the segment length was 5 nm and the gap size was 10 points. Depending on data preprocessing and PLS method, the best prediction model yielded correlation coefficient of determination (r2) of 0.759, low root mean square error of prediction (RMSEP) of 0.0677, low root mean square error of calibration (RMSEC) of 0.0562. The results indicated the feasibility of FT-NIR spectral analysis for predicting apple valid acidity in a nondestructive way.

Prediction of valid acidity in intact apples with Fourier transform near infrared spectroscopy*

PubMed Central

Liu, Yan-de; Ying, Yi-bin; Fu, Xia-ping

2005-01-01

To develop nondestructive acidity prediction for intact Fuji apples, the potential of Fourier transform near infrared (FT-NIR) method with fiber optics in interactance mode was investigated. Interactance in the 800 nm to 2619 nm region was measured for intact apples, harvested from early to late maturity stages. Spectral data were analyzed by two multivariate calibration techniques including partial least squares (PLS) and principal component regression (PCR) methods. A total of 120 Fuji apples were tested and 80 of them were used to form a calibration data set. The influences of different data preprocessing and spectra treatments were also quantified. Calibration models based on smoothing spectra were slightly worse than that based on derivative spectra, and the best result was obtained when the segment length was 5 nm and the gap size was 10 points. Depending on data preprocessing and PLS method, the best prediction model yielded correlation coefficient of determination (r 2) of 0.759, low root mean square error of prediction (RMSEP) of 0.0677, low root mean square error of calibration (RMSEC) of 0.0562. The results indicated the feasibility of FT-NIR spectral analysis for predicting apple valid acidity in a nondestructive way. PMID:15682498

Fourier-Transform Infrared Microspectroscopy, a Novel and Rapid Tool for Identification of Yeasts

PubMed Central

Wenning, Mareike; Seiler, Herbert; Scherer, Siegfried

2002-01-01

Fourier-transform infrared (FT-IR) microspectroscopy was used in this study to identify yeasts. Cells were grown to microcolonies of 70 to 250 μm in diameter and transferred from the agar plate by replica stamping to an IR-transparent ZnSe carrier. IR spectra of the replicas on the carrier were recorded using an IR microscope coupled to an IR spectrometer, and identification was performed by comparison to reference spectra. The method was tested by using small model libraries comprising reference spectra of 45 strains from 9 genera and 13 species, recorded with both FT-IR microspectroscopy and FT-IR macrospectroscopy. The results show that identification by FT-IR microspectroscopy is equivalent to that achieved by FT-IR macrospectroscopy but the time-consuming isolation of the organisms prior to identification is not necessary. Therefore, this method also provides a rapid tool to analyze mixed populations. Furthermore, identification of 21 Debaryomyces hansenii and 9 Saccharomyces cerevisiae strains resulted in 92% correct identification at the strain level for S. cerevisiae and 91% for D. hansenii, which demonstrates that the resolution power of FT-IR microspectroscopy may also be used for yeast typing at the strain level. PMID:12324312

[Identification of Dendrobium varieties by Fourier transform infrared spectroscopy combined with spectral retrieval].

PubMed

Liu, Fei; Wang, Yuan-zhong; Deng, Xing-yan; Jin, Hang; Yang, Chun-yan

2014-06-01

The infrared spectral of stems of 165 trees of 23 Dendrobium varieties were obtained by means of Fourier transform infrared spectroscopy technique. The spectra show that the spectra of all the samples were similar, and the main components of stem of Dendrobium is cellulose. By the spectral professional software Omnic8.0, three spectral databases were constructed. Lib01 includes of the average spectral of the first four trees of every variety, while Lib02 and Lib03 are constructed from the first-derivative spectra and the second-derivative spectra of average spectra, separately. The correlation search, the square difference retrieval and the square differential difference retrieval of the spectra are performed with the spectral database Lib01 in the specified range of 1 800-500 cm(-1), and the yield correct rate of 92.7%, 74.5% and 92.7%, respectively. The square differential difference retrieval of the first-derivative spectra and the second-derivative spectra is carried out with Lib02 and Lib03 in the same specified range 1 800-500 cm(-1), and shows correct rate of 93.9% for the former and 90.3% for the later. The results show that the first-derivative spectral retrieval of square differential difference algorithm is more suitabe for discerning Dendrobium varieties, and FTIR combining with the spectral retrieval method can identify different varieties of Dendrobium, and the correlation retrieval, the square differential retrieval, the first-derivative spectra and second-derivative spectra retrieval in the specified spectral range are effective and simple way of distinguishing different varieties of Dendrobium.

Astronomical imaging Fourier spectroscopy at far-infrared wavelengths

NASA Astrophysics Data System (ADS)

Naylor, David A.; Gom, Brad G.; van der Wiel, Matthijs H. D.; Makiwa, Gibion

2013-11-01

The principles and practice of astronomical imaging Fourier transform spectroscopy (FTS) at far-infrared wavelengths are described. The Mach–Zehnder (MZ) interferometer design has been widely adopted for current and future imaging FTS instruments; we compare this design with two other common interferometer formats. Examples of three instruments based on the MZ design are presented. The techniques for retrieving astrophysical parameters from the measured spectra are discussed using calibration data obtained with the Herschel–SPIRE instrument. The paper concludes with an example of imaging spectroscopy obtained with the SPIRE FTS instrument.

Comparative evaluation of bioactivity of crystalline trypsin for drying by Fourier-transformed infrared spectroscopy.

PubMed

Otsuka, Makoto; Fukui, Yuya; Ozaki, Yukihiro

2009-03-01

The purpose of this study was to evaluate the enzymatic stability of colloidal trypsin powder during heating in a solid-state by using Fourier transform infrared (FT-IR) spectra with chemoinformatics and generalized two-dimensional (2D) correlation spectroscopy. Colloidal crystalline trypsin powders were heated using differential scanning calorimetry. The enzymatic activity of trypsin was assayed by the kinetic degradation method. Spectra of 10 calibration sample sets were recorded three times with a FT-IR spectrometer. The maximum intensity at 1634cm(-1) of FT-IR spectra and enzymatic activity of trypsin decreased as the temperature increased. The FT-IR spectra of trypsin samples were analyzed by a principal component regression analysis (PCR). A plot of the calibration data obtained was made between the actual and predicted trypsin activity based on a two-component model with gamma(2)=0.962. On the other hand, a 2D method was applied to FT-IR spectra of heat-treated trypsin. The result was consistent with that of the chemoinformetrical method. The results for deactivation of colloidal trypsin powder by heat-treatment indicated that nano-structure of crystalline trypsin changed by heating reflecting that the beta-sheet was mainly transformed, since the peak at 1634cm(-1) decreased with dehydration. The FT-IR chemoinformetrical method allows for a solid-state quantitative analysis of the bioactivity of the bulk powder of trypsin during drying.

Authentication of edible vegetable oils adulterated with used frying oil by Fourier Transform Infrared Spectroscopy.

PubMed

Zhang, Qing; Liu, Cheng; Sun, Zhijian; Hu, Xiaosong; Shen, Qun; Wu, Jihong

2012-06-01

The application of Fourier Transform Infrared (FTIR) Spectroscopy to authenticate edible vegetable oils (corn, peanut, rapeseed and soybean oil) adulterated with used frying oil was introduced in this paper. The FTIR spectrum of oil was divided into 22 regions which corresponded to the constituents and molecular structures of vegetable oils. Samples of calibration set were classified into four categories for corn and peanut oils and five categories for rapeseed and soybean oils by cluster analysis. Qualitative analysis of validation set was obtained by discriminant analysis. Area ratio between absorption band 19 and 20 and wavenumber shift of band 19 were treated by linear regression for quantitative analysis. For four adulteration types, LODs of area ratio were 6.6%, 7.2%, 5.5%, 3.6% and wavenumber shift were 8.1%, 9.0%, 6.9%, 5.6%, respectively. The proposed methodology is a useful tool to authenticate the edible vegetable oils adulterated with used frying oil. Copyright © 2011 Elsevier Ltd. All rights reserved.

Fourier transform infrared spectroscopic imaging parameters describing acid phosphate substitution in biologic hydroxyapatite.

PubMed

Spevak, Lyudmila; Flach, Carol R; Hunter, Tracey; Mendelsohn, Richard; Boskey, Adele

2013-05-01

Acid phosphate substitution into mineralized tissues is an important determinant of their mechanical properties and their response to treatment. This study identifies and validates Fourier transform infrared spectroscopic imaging (FTIRI) spectral parameters that provide information on the acid phosphate (HPO4) substitution into hydroxyapatite in developing mineralized tissues. Curve fitting and Fourier self-deconvolution were used to identify subband positions in model compounds (with and without HPO4). The intensity of subbands at 1127 and 1110 cm(-1) correlated with the acid phosphate content in these models. Peak height ratios of these subbands to the ν3 vibration at 1096 cm(-1) found in stoichiometric apatite were evaluated in the model compounds and mixtures thereof. FTIRI spectra of bones and teeth at different developmental ages were analyzed using these spectral parameters. Factor analysis (a chemometric technique) was also conducted on the tissue samples and resulted in factor loadings with spectral features corresponding to the HPO4 vibrations described above. Images of both factor correlation coefficients and the peak height ratios 1127/1096 and 1112/1096 cm(-1) demonstrated higher acid phosphate content in younger vs. more mature regions in the same specimen. Maps of the distribution of acid phosphate content will be useful for characterizing the extent of new bone formation, the areas of potential decreased strength, and the effects of therapies such as those used in metabolic bone diseases (osteoporosis, chronic kidney disease) on mineral composition. Because of the wider range of values obtained with the 1127/1096 cm(-1) parameter compared to the 1110/1096 cm(-1) parameter and the smaller scatter in the slope, it is suggested that this ratio should be the parameter of choice.

Analysis of Resistant Starches in Rat Cecal Contents Using Fourier Transform Infrared Photoacoustic Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, Timothy J.; Ai, Yongfeng; Jones, Roger W.

Fourier transform infrared photoacoustic spectroscopy (FTIR-PAS) qualitatively and quantitatively measured resistant starch (RS) in rat cecal contents. Fisher 344 rats were fed diets of 55% (w/w, dry basis) starch for 8 weeks. Cecal contents were collected from sacrificed rats. A corn starch control was compared against three RS diets. The RS diets were high-amylose corn starch (HA7), HA7 chemically modified with octenyl succinic anhydride, and stearic-acid-complexed HA7 starch. To calibrate the FTIR-PAS analysis, samples from each diet were analyzed using an enzymatic assay. A partial least-squares cross-validation plot generated from the enzymatic assay and FTIR-PAS spectral results for starch fitmore » the ideal curve with a R2 of 0.997. A principal component analysis plot of components 1 and 2 showed that spectra from diets clustered significantly from each other. This study clearly showed that FTIR-PAS can accurately quantify starch content and identify the form of starch in complex matrices.« less

Applications of Micro-Fourier Transform Infrared Spectroscopy (FTIR) in the Geological Sciences—A Review

PubMed Central

Chen, Yanyan; Zou, Caineng; Mastalerz, Maria; Hu, Suyun; Gasaway, Carley; Tao, Xiaowan

2015-01-01

Fourier transform infrared spectroscopy (FTIR) can provide crucial information on the molecular structure of organic and inorganic components and has been used extensively for chemical characterization of geological samples in the past few decades. In this paper, recent applications of FTIR in the geological sciences are reviewed. Particularly, its use in the characterization of geochemistry and thermal maturation of organic matter in coal and shale is addressed. These investigations demonstrate that the employment of high-resolution micro-FTIR imaging enables visualization and mapping of the distributions of organic matter and minerals on a micrometer scale in geological samples, and promotes an advanced understanding of heterogeneity of organic rich coal and shale. Additionally, micro-FTIR is particularly suitable for in situ, non-destructive characterization of minute microfossils, small fluid and melt inclusions within crystals, and volatiles in glasses and minerals. This technique can also assist in the chemotaxonomic classification of macrofossils such as plant fossils. These features, barely accessible with other analytical techniques, may provide fundamental information on paleoclimate, depositional environment, and the evolution of geological (e.g., volcanic and magmatic) systems. PMID:26694380

Fourier-transform infrared spectroscopy for rapid screening and live-cell monitoring: application to nanotoxicology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sundaram, S. K.; Sacksteder, Colette A.; Weber, T. J.

2013-01-01

A significant challenge to realize the full potential of nanotechnology for therapeutic and diagnostic applications is to understand and evaluate how live-cells interact with an external stimulus, e.g., a nanosized particle (NSP), and the toxicity and broad risk associated with these stimuli. NSPs are increasingly used in medicine with largely undetermined hazards in complex cell dynamics and environments. It is difficult to capture the complexity and dynamics of these interactions by following an omics-based approach exclusively, which are expensive and time-consuming. Additionally, this approach needs destructive sampling methods. Live-cell attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectrometry is well suited tomore » provide noninvasive approach to provide rapid screening of cellular responses to potentially toxic NSPs or any stimuli. Herein we review the technical basis of the approach, the instrument configuration and interface with the biological media, and various effects that impact the data, data analysis, and toxicity. Our preliminary results on live-cell monitoring show promise for rapid screening the NSPs.« less

Applications of Micro-Fourier Transform Infrared Spectroscopy (FTIR) in the Geological Sciences--A Review.

PubMed

Chen, Yanyan; Zou, Caineng; Mastalerz, Maria; Hu, Suyun; Gasaway, Carley; Tao, Xiaowan

2015-12-18

Fourier transform infrared spectroscopy (FTIR) can provide crucial information on the molecular structure of organic and inorganic components and has been used extensively for chemical characterization of geological samples in the past few decades. In this paper, recent applications of FTIR in the geological sciences are reviewed. Particularly, its use in the characterization of geochemistry and thermal maturation of organic matter in coal and shale is addressed. These investigations demonstrate that the employment of high-resolution micro-FTIR imaging enables visualization and mapping of the distributions of organic matter and minerals on a micrometer scale in geological samples, and promotes an advanced understanding of heterogeneity of organic rich coal and shale. Additionally, micro-FTIR is particularly suitable for in situ, non-destructive characterization of minute microfossils, small fluid and melt inclusions within crystals, and volatiles in glasses and minerals. This technique can also assist in the chemotaxonomic classification of macrofossils such as plant fossils. These features, barely accessible with other analytical techniques, may provide fundamental information on paleoclimate, depositional environment, and the evolution of geological (e.g., volcanic and magmatic) systems.

Dataset of Fourier transform-infrared coupled with chemometric analysis used to distinguish accessions of Garcinia mangostana L. in Peninsular Malaysia.

PubMed

Samsir, Sri A'jilah; Bunawan, Hamidun; Yen, Choong Chee; Noor, Normah Mohd

2016-09-01

In this dataset, we distinguish 15 accessions of Garcinia mangostana from Peninsular Malaysia using Fourier transform-infrared spectroscopy coupled with chemometric analysis. We found that the position and intensity of characteristic peaks at 3600-3100 cm(-) (1) in IR spectra allowed discrimination of G. mangostana from different locations. Further principal component analysis (PCA) of all the accessions suggests the two main clusters were formed: samples from Johor, Melaka, and Negeri Sembilan (South) were clustered together in one group while samples from Perak, Kedah, Penang, Selangor, Kelantan, and Terengganu (North and East Coast) were in another clustered group.

Fourier transform magnitudes are unique pattern recognition templates.

PubMed

Gardenier, P H; McCallum, B C; Bates, R H

1986-01-01

Fourier transform magnitudes are commonly used in the generation of templates in pattern recognition applications. We report on recent advances in Fourier phase retrieval which are relevant to pattern recognition. We emphasise in particular that the intrinsic form of a finite, positive image is, in general, uniquely related to the magnitude of its Fourier transform. We state conditions under which the Fourier phase can be reconstructed from samples of the Fourier magnitude, and describe a method of achieving this. Computational examples of restoration of Fourier phase (and hence, by Fourier transformation, the intrinsic form of the image) from samples of the Fourier magnitude are also presented.

Fourier transform infrared spectral detection of life in polar subsurface environments and its application to Mars exploration.

PubMed

Preston, Louisa J; Johnson, Diane; Cockell, Charles S; Grady, Monica M

2015-09-01

Cryptoendolithic lichen communities of the Dry Valleys, Antarctica, survive in an extremely inhospitable environment, finding refuge in microscopic niches where conditions suitable for life exist. Such "within-rock" communities may have evolved on Mars when conditions for life on the surface deteriorated to such an extent that they could no longer survive. Fourier transform infrared spectroscopy of unprepared whole-rock Antarctic Beacon sandstones was used to vertically profile molecular vibrations of fatty acids, proteins, and carboxylic acids created by endolithic communities. Spectral biosignatures were found localized to lichen-rich areas and were absent in crustal regions and the bulk rock substrate. These cryptoendolithic profiles will aid similar spectroscopic investigations of organic biosignatures during future Martian subsurface studies and will help in the identification of similar communities in other localities across the Earth.

Long Open Path Fourier Transform Spectroscopy Measurements of Greenhouse Gases in the Near Infrared

NASA Astrophysics Data System (ADS)

Griffith, D. W. T.

2015-12-01

Atmospheric composition measurements are an important tool to quantify local and regional emissions and sinks of greenhouse gases. Most in situ measurements are made at a point, but how representative are such measurements in an inhomogeneous environment? Open path Fourier Transform Spectroscopy (FTS) measurements potentially offer spatial averaging and continuous measurements of several trace gases (including CO2, CH4, CO and N2O) simultaneously in the same airmass. Spatial averaging over kilometre scales is a better fit to the finest scale atmospheric models becoming available, and helps bridge the gap between models and in situ measurements. In this paper we assess the precision, accuracy and reliability of long open path measurements by Fourier Transform Spectroscopy in the near infrared from a 5-month continuous record of measurements over a 1.5 km pathlength. Direct open-atmosphere measurements of trace gases CO2, CH4, CO and N2O as well as O2 were retrieved from several absorption bands between 4000 and 8000 cm-1 (2.5 - 1.25 micron). At one end of the path an in situ FTIR analyser simultaneously collected well calibrated measurements of the same species for comparison with the open path-integrated measurements. The measurements ran continuously from June - November 2014. We introduce the open path FTS measurement system and present an analysis of the results, including assessment of precision, accuracy relative to co-incident in situ measurements, reliability. Short term precision of the open path measurement of CO2 was better than 1 ppm for 5 minute averages and thus sufficient for studies in urban and other non-background environments. Measurement bias relative to calibrated in situ measurements was stable across the measurement period. The system operated reliably with data losses mainly due to weather events such as rain and fog preventing transmission of the IR beam. In principle the system can be improved to provide longer pathlengths and higher

Laryngeal teflonoma identified by Fourier-transform infrared microspectroscopy after forensic autopsy: an interesting tool for foreign material identification in forensic cases.

PubMed

Duband, Sébastien; Govin, Alexandre; Dumollard, Jean-Marc; Forest, Fabien; Basset, Thierry; Péoc'h, Michel

2012-01-10

Forensic pathologists are sometimes confronted with microscopic foreign bodies mixed in with soft tissues surrounding wounds and which are thus difficult to identify. This identification, however, could be primordial in investigating a crime and in determining the weapon used. A case of a fatal respiratory distress syndrome due to conjoining suicidal drug intoxication and laryngeal obstruction by a voluminous foreign body giant cell granuloma is presented. The classical histological examination showed exogenous particles in the vocal cord tumor with birefringent qualities. Their analysis with Fourier-Transform infrared (FTIR) spectrometry coupled with infrared microscope allows the determination of their chemical nature as polytetrafluoroethylene and to the diagnosis of teflonoma. This case report put the emphasis on the forensic interest of the FTIR imaging. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

Validation of MOPITT carbon monoxide using ground-based Fourier transform infrared spectrometer data from NDACC

NASA Astrophysics Data System (ADS)

Buchholz, Rebecca R.; Deeter, Merritt N.; Worden, Helen M.; Gille, John; Edwards, David P.; Hannigan, James W.; Jones, Nicholas B.; Paton-Walsh, Clare; Griffith, David W. T.; Smale, Dan; Robinson, John; Strong, Kimberly; Conway, Stephanie; Sussmann, Ralf; Hase, Frank; Blumenstock, Thomas; Mahieu, Emmanuel; Langerock, Bavo

2017-06-01

The Measurements of Pollution in the Troposphere (MOPITT) satellite instrument provides the longest continuous dataset of carbon monoxide (CO) from space. We perform the first validation of MOPITT version 6 retrievals using total column CO measurements from ground-based remote-sensing Fourier transform infrared spectrometers (FTSs). Validation uses data recorded at 14 stations, that span a wide range of latitudes (80° N to 78° S), in the Network for the Detection of Atmospheric Composition Change (NDACC). MOPITT measurements are spatially co-located with each station, and different vertical sensitivities between instruments are accounted for by using MOPITT averaging kernels (AKs). All three MOPITT retrieval types are analyzed: thermal infrared (TIR-only), joint thermal and near infrared (TIR-NIR), and near infrared (NIR-only). Generally, MOPITT measurements overestimate CO relative to FTS measurements, but the bias is typically less than 10 %. Mean bias is 2.4 % for TIR-only, 5.1 % for TIR-NIR, and 6.5 % for NIR-only. The TIR-NIR and NIR-only products consistently produce a larger bias and lower correlation than the TIR-only. Validation performance of MOPITT for TIR-only and TIR-NIR retrievals over land or water scenes is equivalent. The four MOPITT detector element pixels are validated separately to account for their different uncertainty characteristics. Pixel 1 produces the highest standard deviation and lowest correlation for all three MOPITT products. However, for TIR-only and TIR-NIR, the error-weighted average that includes all four pixels often provides the best correlation, indicating compensating pixel biases and well-captured error characteristics. We find that MOPITT bias does not depend on latitude but rather is influenced by the proximity to rapidly changing atmospheric CO. MOPITT bias drift has been bound geographically to within ±0.5 % yr-1 or lower at almost all locations.

Structure of Co-Doped Alq3 thin films investigated by grazing incidence X-ray absorption fine structure and Fourier transform infrared spectroscopy.

PubMed

Lin, Liang; Pang, Zhiyong; Fang, Shaojie; Wang, Fenggong; Song, Shumei; Huang, Yuying; Wei, Xiangjun; Yu, Haisheng; Han, Shenghao

2011-02-10

The structural properties of Co-doped tris(8-hydroxyquinoline)aluminum (Alq(3)) have been studied by grazing incidence X-ray absorption fine structure (GIXAFS) and Fourier transform infrared spectroscopy (FTIR). GIXAFS analysis suggests that there are multivalent Co-Alq(3) complexes and the doped Co atoms tend to locate at the attraction center with respect to N and O atoms and bond with them. The FTIR spectra indicate that the Co atoms interact with the meridional (mer) isomer of Alq(3) rather than forming inorganic compounds.

The Kinetics of Mo(Co)6 Substitution Monitored by Fourier Transform Infrared Spectrophotometry.

ERIC Educational Resources Information Center

Suslick, Kenneth S.; And Others

1987-01-01

Describes a physical chemistry experiment that uses Fourier transform (FTIR) spectrometers and microcomputers as a way of introducing students to the spectral storage and manipulation techniques associated with digitized data. It can be used to illustrate FTIR spectroscopy, simple kinetics, inorganic mechanisms, and Beer's Law. (TW)

The τq-Fourier transform: Covariance and uniqueness

NASA Astrophysics Data System (ADS)

Kalogeropoulos, Nikolaos

2018-05-01

We propose an alternative definition for a Tsallis entropy composition-inspired Fourier transform, which we call “τq-Fourier transform”. We comment about the underlying “covariance” on the set of algebraic fields that motivates its introduction. We see that the definition of the τq-Fourier transform is automatically invertible in the proper context. Based on recent results in Fourier analysis, it turns that the τq-Fourier transform is essentially unique under the assumption of the exchange of the point-wise product of functions with their convolution.

The scale of the Fourier transform: a point of view of the fractional Fourier transform

NASA Astrophysics Data System (ADS)

Jimenez, C. J.; Vilardy, J. M.; Salinas, S.; Mattos, L.; Torres, C. O.

2017-01-01

In this paper using the Fourier transform of order fractional, the ray transfer matrix for the symmetrical optical systems type ABCD and the formulae by Collins for the diffraction, we obtain explicitly the expression for scaled Fourier transform conventional; this result is the great importance in optical signal processing because it offers the possibility of scaling the size of output the Fourier distribution of the system, only by manipulating the distance of the diffraction object toward the thin lens, this research also emphasizes on practical limits when a finite spherical converging lens aperture is used. Digital simulation was carried out using the numerical platform of Matlab 7.1.

A high-resolution Fourier Transform Spectrometer for planetary spectroscopy

NASA Technical Reports Server (NTRS)

Cruikshank, D. P.; Sinton, W. M.

1973-01-01

The employment of a high-resolution Fourier Transform Spectrometer (FTS) is described for planetary and other astronomical spectroscopy in conjunction with the 88-inch telescope at Mauna Kea Observatory. The FTS system is designed for a broad range of uses, including double-beam laboratory spectroscopy, infrared gas chromatography, and nuclear magnetic resonance spectroscopy. The data system is well-suited to astronomical applications because of its great speed in acquiring and transforming data, and because of the enormous storage capability of the magnetic tape unit supplied with the system. The basic instrument is outlined 2nd some of the initial results from the first attempted use on the Mauna Kea 88-inch telescope are reported.

Separation and determination of estrogen in the water environment by high performance liquid chromatography-fourier transform infrared spectroscopy

PubMed Central

Zheng, Bei; Li, Wentao; Li, Hongyan; Liu, Lin; Lei, Pei; Ge, Xiaopeng; Yu, Zhiyong; Zhou, Yiqi

2016-01-01

The components for connecting high-performance liquid chromatography (HPLC) with Fourier-transform infrared spectroscopy (FTIR) were investigated to determine estrogen in the water environment, including heating for atomization, solvent removal, sample deposition, drive control, spectrum collection, chip swap, cleaning and drying. Results showed that when the atomization temperature was increased to 388 K, the interference of mobile phase components (methanol, H2O, acetonitrile, and NaH2PO4) were completely removed in the IR measurement of estrogen, with 0.999 of similarity between IR spectra obtained after separation and corresponding to the standard IR spectra. In experiments with varying HPLC injection volumes, high similarity for IR spectra was obtained at 20 ul injection volume at 0.01 mg/L BPA while a useful IR spectrum for 10 ng/L BPA was obtained at 80 ul injection volume. In addition, estrogen concentrations in the natural water samples were calculated semi-quantitatively from the peak intensities of IR spectrum in the mid-infrared region. PMID:27577974

Separation and determination of estrogen in the water environment by high performance liquid chromatography-fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Zheng, Bei; Li, Wentao; Li, Hongyan; Liu, Lin; Lei, Pei; Ge, Xiaopeng; Yu, Zhiyong; Zhou, Yiqi

2016-08-01

The components for connecting high-performance liquid chromatography (HPLC) with Fourier-transform infrared spectroscopy (FTIR) were investigated to determine estrogen in the water environment, including heating for atomization, solvent removal, sample deposition, drive control, spectrum collection, chip swap, cleaning and drying. Results showed that when the atomization temperature was increased to 388 K, the interference of mobile phase components (methanol, H2O, acetonitrile, and NaH2PO4) were completely removed in the IR measurement of estrogen, with 0.999 of similarity between IR spectra obtained after separation and corresponding to the standard IR spectra. In experiments with varying HPLC injection volumes, high similarity for IR spectra was obtained at 20 ul injection volume at 0.01 mg/L BPA while a useful IR spectrum for 10 ng/L BPA was obtained at 80 ul injection volume. In addition, estrogen concentrations in the natural water samples were calculated semi-quantitatively from the peak intensities of IR spectrum in the mid-infrared region.

Novel high-temperature and pressure-compatible ultrasonic levitator apparatus coupled to Raman and Fourier transform infrared spectrometers

NASA Astrophysics Data System (ADS)

Brotton, Stephen J.; Kaiser, Ralf I.

2013-05-01

We describe an original apparatus comprising of an acoustic levitator enclosed within a pressure-compatible process chamber. To characterize any chemical and physical modifications of the levitated particle, the chamber is interfaced to complimentary, high-sensitivity Raman (4390-170 cm-1), and Fourier transform infrared (FTIR) (10 000-500 cm-1) spectroscopic probes. The temperature of the levitated particle can be accurately controlled by heating using a carbon dioxide laser emitting at 10.6 μm. The advantages of levitating a small particle combined with the two spectroscopic probes, process chamber, and infrared laser heating makes novel experiments possible relevant to the fields of, for example, planetary science, astrobiology, and combustion chemistry. We demonstrate that this apparatus is well suited to study the dehydration of a variety of particles including minerals and biological samples; and offers the possibility of investigating combustion processes involving micrometer-sized particles such as graphite. Furthermore, we show that the FTIR spectrometer enables the study of chemical reactions on the surfaces of porous samples and scientifically and technologically relevant, micrometer-thick levitated sheets. The FTIR spectrometer can also be used to investigate non-resonant and resonant scattering from small, irregularly-shaped particles across the mid-infrared range from 2.5 μm to 25 μm, which is relevant to scattering from interplanetary dust and biological, micrometer-sized samples but cannot be accurately modelled using Mie theory.

Microfluidic Approaches to Synchrotron Radiation-Based Fourier Transform Infrared (SR-FTIR) Spectral Microscopy of Living Biosystems

PubMed Central

Loutherback, Kevin; Birarda, Giovanni; Chen, Liang; Holman, Hoi-Ying N.

2016-01-01

A long-standing desire in biological and biomedical sciences is to be able to probe cellular chemistry as biological processes are happening inside living cells. Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectral microscopy is a label-free and nondestructive analytical technique that can provide spatiotemporal distributions and relative abundances of biomolecules of a specimen by their characteristic vibrational modes. Despite great progress in recent years, SR-FTIR imaging of living biological systems remains challenging because of the demanding requirements on environmental control and strong infrared absorption of water. To meet this challenge, microfluidic devices have emerged as a method to control the water thickness while providing a hospitable environment to measure cellular processes and responses over many hours or days. This paper will provide an overview of microfluidic device development for SR-FTIR imaging of living biological systems, provide contrast between the various techniques including closed and open-channel designs, and discuss future directions of development within this area. Even as the fundamental science and technological demonstrations develop, other ongoing issues must be addressed; for example, choosing applications whose experimental requirements closely match device capabilities, and developing strategies to efficiently complete the cycle of development. These will require imagination, ingenuity and collaboration. PMID:26732243

Microfluidic approaches to synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectral microscopy of living biosystems

DOE PAGES

Loutherback, Kevin; Birarda, Giovanni; Chen, Liang; ...

2016-02-15

A long-standing desire in biological and biomedical sciences is to be able to probe cellular chemistry as biological processes are happening inside living cells. Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectral microscopy is a label-free and nondestructive analytical technique that can provide spatiotemporal distributions and relative abundances of biomolecules of a specimen by their characteristic vibrational modes. Despite great progress in recent years, SR-FTIR imaging of living biological systems remains challenging because of the demanding requirements on environmental control and strong infrared absorption of water. To meet this challenge, microfluidic devices have emerged as a method to control the watermore » thickness while providing a hospitable environment to measure cellular processes and responses over many hours or days. This paper will provide an overview of microfluidic device development for SR-FTIR imaging of living biological systems, provide contrast between the various techniques including closed and open-channel designs, and discuss future directions of development within this area. Even as the fundamental science and technological demonstrations develop, other ongoing issues must be addressed; for example, choosing applications whose experimental requirements closely match device capabilities, and developing strategies to efficiently complete the cycle of development. These will require imagination, ingenuity and collaboration.« less

Microfluidic approaches to synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectral microscopy of living biosystems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loutherback, Kevin; Birarda, Giovanni; Chen, Liang

A long-standing desire in biological and biomedical sciences is to be able to probe cellular chemistry as biological processes are happening inside living cells. Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectral microscopy is a label-free and nondestructive analytical technique that can provide spatiotemporal distributions and relative abundances of biomolecules of a specimen by their characteristic vibrational modes. Despite great progress in recent years, SR-FTIR imaging of living biological systems remains challenging because of the demanding requirements on environmental control and strong infrared absorption of water. To meet this challenge, microfluidic devices have emerged as a method to control the watermore » thickness while providing a hospitable environment to measure cellular processes and responses over many hours or days. This paper will provide an overview of microfluidic device development for SR-FTIR imaging of living biological systems, provide contrast between the various techniques including closed and open-channel designs, and discuss future directions of development within this area. Even as the fundamental science and technological demonstrations develop, other ongoing issues must be addressed; for example, choosing applications whose experimental requirements closely match device capabilities, and developing strategies to efficiently complete the cycle of development. These will require imagination, ingenuity and collaboration.« less

Identification of fungal phytopathogens using Fourier transform infrared-attenuated total reflection spectroscopy and advanced statistical methods

NASA Astrophysics Data System (ADS)

Salman, Ahmad; Lapidot, Itshak; Pomerantz, Ami; Tsror, Leah; Shufan, Elad; Moreh, Raymond; Mordechai, Shaul; Huleihel, Mahmoud

2012-01-01

The early diagnosis of phytopathogens is of a great importance; it could save large economical losses due to crops damaged by fungal diseases, and prevent unnecessary soil fumigation or the use of fungicides and bactericides and thus prevent considerable environmental pollution. In this study, 18 isolates of three different fungi genera were investigated; six isolates of Colletotrichum coccodes, six isolates of Verticillium dahliae and six isolates of Fusarium oxysporum. Our main goal was to differentiate these fungi samples on the level of isolates, based on their infrared absorption spectra obtained using the Fourier transform infrared-attenuated total reflection (FTIR-ATR) sampling technique. Advanced statistical and mathematical methods: principal component analysis (PCA), linear discriminant analysis (LDA), and k-means were applied to the spectra after manipulation. Our results showed significant spectral differences between the various fungi genera examined. The use of k-means enabled classification between the genera with a 94.5% accuracy, whereas the use of PCA [3 principal components (PCs)] and LDA has achieved a 99.7% success rate. However, on the level of isolates, the best differentiation results were obtained using PCA (9 PCs) and LDA for the lower wavenumber region (800-1775 cm-1), with identification success rates of 87%, 85.5%, and 94.5% for Colletotrichum, Fusarium, and Verticillium strains, respectively.

Automatic Fourier transform and self-Fourier beams due to parabolic potential

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yiqi, E-mail: zhangyiqi@mail.xjtu.edu.cn; Liu, Xing; Belić, Milivoj R., E-mail: milivoj.belic@qatar.tamu.edu

We investigate the propagation of light beams including Hermite–Gauss, Bessel–Gauss and finite energy Airy beams in a linear medium with parabolic potential. Expectedly, the beams undergo oscillation during propagation, but quite unexpectedly they also perform automatic Fourier transform, that is, periodic change from the beam to its Fourier transform and back. In addition to oscillation, the finite-energy Airy beams exhibit periodic inversion during propagation. The oscillating period of parity-asymmetric beams is twice that of the parity-symmetric beams. Based on the propagation in parabolic potential, we introduce a class of optically-interesting beams that are self-Fourier beams—that is, the beams whose Fouriermore » transforms are the beams themselves.« less

Proteoglycan concentrations in healthy and diseased articular cartilage by Fourier transform infrared imaging and principal component regression

NASA Astrophysics Data System (ADS)

Yin, Jianhua; Xia, Yang

2014-12-01

Fourier transform infrared imaging (FTIRI) combining with principal component regression (PCR) analysis were used to determine the reduction of proteoglycan (PG) in articular cartilage after the transection of the anterior cruciate ligament (ACL). A number of canine knee cartilage sections were harvested from the meniscus-covered and meniscus-uncovered medial tibial locations from the control joints, the ACL joints at three time points after the surgery, and their contralateral joints. The PG loss in the ACL cartilage was related positively to the durations after the surgery. The PG loss in the contralateral knees was less than that of the ACL knees. The PG loss in the meniscus-covered cartilage was less than that of the meniscus-uncovered tissue in both ACL and contralateral knees. The quantitative mapping of PG loss could monitor the disease progression and repair processes in arthritis.

Localization of polyhydroxybutyrate in sugarcane using Fourier-transform infrared microspectroscopy and multivariate imaging

DOE PAGES

Lupoi, Jason S.; Smith-Moritz, Andreia; Singh, Seema; ...

2015-07-10

Background: Slow-degrading, fossil fuel-derived plastics can have deleterious effects on the environment, especially marine ecosystems. The production of bio-based, biodegradable plastics from or in plants can assist in supplanting those manufactured using fossil fuels. Polyhydroxybutyrate (PHB) is one such biodegradable polyester that has been evaluated as a possible candidate for relinquishing the use of environmentally harmful plastics. Results: PHB, possessing similar properties to polyesters produced from non-renewable sources, has been previously engineered in sugarcane, thereby creating a high-value co-product in addition to the high biomass yield. This manuscript illustrates the coupling of a Fourier-transform infrared microspectrometer, equipped with a focalmore » plane array (FPA) detector, with multivariate imaging to successfully identify and localize PHB aggregates. Principal component analysis imaging facilitated the mining of the abundant quantity of spectral data acquired using the FPA for distinct PHB vibrational modes. PHB was measured in the chloroplasts of mesophyll and bundle sheath cells, acquiescent with previously evaluated plant samples. Conclusion: This study demonstrates the power of IR microspectroscopy to rapidly image plant sections to provide a snapshot of the chemical composition of the cell. While PHB was localized in sugarcane, this method is readily transferable to other value-added co-products in different plants.« less

Localization of polyhydroxybutyrate in sugarcane using Fourier-transform infrared microspectroscopy and multivariate imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lupoi, Jason S.; Smith-Moritz, Andreia; Singh, Seema

Background: Slow-degrading, fossil fuel-derived plastics can have deleterious effects on the environment, especially marine ecosystems. The production of bio-based, biodegradable plastics from or in plants can assist in supplanting those manufactured using fossil fuels. Polyhydroxybutyrate (PHB) is one such biodegradable polyester that has been evaluated as a possible candidate for relinquishing the use of environmentally harmful plastics. Results: PHB, possessing similar properties to polyesters produced from non-renewable sources, has been previously engineered in sugarcane, thereby creating a high-value co-product in addition to the high biomass yield. This manuscript illustrates the coupling of a Fourier-transform infrared microspectrometer, equipped with a focalmore » plane array (FPA) detector, with multivariate imaging to successfully identify and localize PHB aggregates. Principal component analysis imaging facilitated the mining of the abundant quantity of spectral data acquired using the FPA for distinct PHB vibrational modes. PHB was measured in the chloroplasts of mesophyll and bundle sheath cells, acquiescent with previously evaluated plant samples. Conclusion: This study demonstrates the power of IR microspectroscopy to rapidly image plant sections to provide a snapshot of the chemical composition of the cell. While PHB was localized in sugarcane, this method is readily transferable to other value-added co-products in different plants.« less

Using multiple calibration sets to improve the quantitative accuracy of partial least squares (PLS) regression on open-path fourier transform infrared (OP/FT-IR) spectra of ammonia over wide concentration ranges

USDA-ARS?s Scientific Manuscript database

A technique of using multiple calibration sets in partial least squares regression (PLS) was proposed to improve the quantitative determination of ammonia from open-path Fourier transform infrared spectra. The spectra were measured near animal farms, and the path-integrated concentration of ammonia...

Determination of protein concentration in raw milk by mid-infrared fourier transform infrared/attenuated total reflectance spectroscopy.

PubMed

Etzion, Y; Linker, R; Cogan, U; Shmulevich, I

2004-09-01

This study investigates the potential use of attenuated total reflectance spectroscopy in the mid-infrared range for determining protein concentration in raw cow milk. The determination of protein concentration is based on the characteristic absorbance of milk proteins, which includes 2 absorbance bands in the 1500 to 1700 cm(-1) range, known as the amide I and amide II bands, and absorbance in the 1060 to 1100 cm(-1) range, which is associated with phosphate groups covalently bound to casein proteins. To minimize the influence of the strong water band (centered around 1640 cm(-1)) that overlaps with the amide I and amide II bands, an optimized automatic procedure for accurate water subtraction was applied. Following water subtraction, the spectra were analyzed by 3 methods, namely simple band integration, partial least squares (PLS) and neural networks. For the neural network models, the spectra were first decomposed by principal component analysis (PCA), and the neural network inputs were the spectra principal components scores. In addition, the concentrations of 2 constituents expected to interact with the protein (i.e., fat and lactose) were also used as inputs. These approaches were tested with 235 spectra of standardized raw milk samples, corresponding to 26 protein concentrations in the 2.47 to 3.90% (weight per volume) range. The simple integration method led to very poor results, whereas PLS resulted in prediction errors of about 0.22% protein. The neural network approach led to prediction errors of 0.20% protein when based on PCA scores only, and 0.08% protein when lactose and fat concentrations were also included in the model. These results indicate the potential usefulness of Fourier transform infrared/attenuated total reflectance spectroscopy for rapid, possibly online, determination of protein concentration in raw milk.

Applications of Micro-Fourier Transform Infrared Spectroscopy (FTIR) in the Geological Sciences—A Review

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Yanyan; Zou, Caineng; Mastalerz, Maria

Fourier transform infrared spectroscopy (FTIR) can provide crucial information on the molecular structure of organic and inorganic components and has been used extensively for chemical characterization of geological samples in the past few decades. In this paper, recent applications of FTIR in the geological sciences are reviewed. Particularly, its use in the characterization of geochemistry and thermal maturation of organic matter in coal and shale is addressed. These investigations demonstrate that the employment of high-resolution micro-FTIR imaging enables visualization and mapping of the distributions of organic matter and minerals on a micrometer scale in geological samples, and promotes an advancedmore » understanding of heterogeneity of organic rich coal and shale. Additionally, micro-FTIR is particularly suitable for in situ, non-destructive characterization of minute microfossils, small fluid and melt inclusions within crystals, and volatiles in glasses and minerals. This technique can also assist in the chemotaxonomic classification of macrofossils such as plant fossils. These features, barely accessible with other analytical techniques, may provide fundamental information on paleoclimate, depositional environment, and the evolution of geological (e.g., volcanic and magmatic) systems.« less

Applications of Micro-Fourier Transform Infrared Spectroscopy (FTIR) in the Geological Sciences—A Review

DOE PAGES

Chen, Yanyan; Zou, Caineng; Mastalerz, Maria; ...

2015-12-18

Fourier transform infrared spectroscopy (FTIR) can provide crucial information on the molecular structure of organic and inorganic components and has been used extensively for chemical characterization of geological samples in the past few decades. In this paper, recent applications of FTIR in the geological sciences are reviewed. Particularly, its use in the characterization of geochemistry and thermal maturation of organic matter in coal and shale is addressed. These investigations demonstrate that the employment of high-resolution micro-FTIR imaging enables visualization and mapping of the distributions of organic matter and minerals on a micrometer scale in geological samples, and promotes an advancedmore » understanding of heterogeneity of organic rich coal and shale. Additionally, micro-FTIR is particularly suitable for in situ, non-destructive characterization of minute microfossils, small fluid and melt inclusions within crystals, and volatiles in glasses and minerals. This technique can also assist in the chemotaxonomic classification of macrofossils such as plant fossils. These features, barely accessible with other analytical techniques, may provide fundamental information on paleoclimate, depositional environment, and the evolution of geological (e.g., volcanic and magmatic) systems.« less

Unfolding/Refolding Study on Collagen from Sea Cucumber Based on 2D Fourier Transform Infrared Spectroscopy.

PubMed

Qin, Lei; Bi, Jing-Ran; Li, Dong-Mei; Dong, Meng; Zhao, Zi-Yuan; Dong, Xiu-Ping; Zhou, Da-Yong; Zhu, Bei-Wei

2016-11-16

We aimed to explore the differences of thermal behaviors between insoluble collagen fibrils (ICFs) and pepsin-solubilized collagens (PSCs) from sea cucumber Stichopus japonicus . The unfolding/refolding sequences of secondary structures of ICFs and PSCs during the heating and cooling cycle (5 → 70 → 5 °C) were identified by Fourier transform infrared spectrometry combined with curve-fitting and 2D correlation techniques. ICFs showed a higher proportion of α-helical structures and higher thermostability than PSCs, and thus had more-stable triple helical structures. The sequences of changes affecting the secondary structures during heating were essentially the same between ICFs and PSCs. In all cases, α-helix structure was the most important conformation and it disappeared to form a β-sheet structure. In the cooling cycle, ICFs showed a partially refolding ability, and the proportion of β-sheet structure rose before the increasing proportion of α-helix structure. PSCs did not obviously refold during the cooling stage.

Kinetic study of olive oil degradation monitored by fourier transform infrared spectrometry. Application to oil characterization.

PubMed

Román Falcó, Iván P; Grané Teruel, Nuria; Prats Moya, Soledad; Martín Carratalá, M Luisa

2012-11-28

A new approach for the determination of kinetic parameters of the cis/trans isomerization during the oxidation process of 24 virgin olive oils belonging to 8 different varieties is presented. The accelerated process of degradation at 100 °C was monitored by recording the Fourier transform infrared spectra. The parameters obtained confirm pseudo-first-order kinetics for the degradation of cis and the appearance of trans double bonds. The kinetic approach affords the induction time and the rate coefficient; these parameters are related to the fatty acid profile of the fresh olive oils. The data obtained were used to compare the oil stability of the samples with the help of multivariate statistical techniques. Fatty acid allowed a classification of the samples in five groups, one of them constituted by the cultivars with higher stability. Meanwhile, the kinetic parameters showed greater ability for the characterization of olive oils, allowing the classification in seven groups.

In situ CF3 Detection in Low Pressure Inductive Discharges by Fourier Transform Infrared Spectroscopy

NASA Technical Reports Server (NTRS)

Kim, J. S.; Cappelli, M. A.; Sharma, S. P.; Arnold, J. O. (Technical Monitor)

1998-01-01

The detection of CF(x) (x=1-3) radicals in low pressure discharges using source gases such as CF4 and CHF3 is of importance to the understanding of their chemical structure and relevance in plasma based etching processes. These radicals are known to contribute to the formation of fluorocarbon polymer films, which affect the selectivity and anisotropy of etching. In this study, we present preliminary results of the quantitative measurement of trifluoromethyl radicals, CF3, in low pressure discharges. The discharge studied here is an inductively (transformer) coupled plasma (ICP) source in the GEC reference cell, operating on pure CF4 at pressures ranging from 10 - 100 mTorr, This plasma source generates higher electron number densities at lower operating pressures than obtainable with the parallel-plate capacitively coupled version of the GEC reference cell. Also, this expanded operating regime is more relevant to new generations of industrial plasma reactors being used by the microelectronics industry. Fourier transform infrared (FTIR) spectroscopy is employed to observe the absorption band of CF3 radicals in the electronic ground state X2Al in the region of 1233-1270/cm. The spectrometer is equipped with a high sensitivity HgCdTe (MCT) detector and has a fixed resolution of 0.125/cm. The CF3 concentrations are measured for a range of operating pressures and discharge power levels.

Spectroscopic signature of mouse embryonic stem cell-derived hepatocytes using synchrotron Fourier transform infrared microspectroscopy

NASA Astrophysics Data System (ADS)

Thumanu, Kanjana; Tanthanuch, Waraporn; Ye, Danna; Sangmalee, Anawat; Lorthongpanich, Chanchao; Parnpai, Rangsun; Heraud, Philip

2011-05-01

Stem cell-based therapy for liver regeneration has been proposed to overcome the persistent shortage in the supply of suitable donor organs. A requirement for this to succeed is to find a rapid method to detect functional hepatocytes, differentiated from embryonic stem cells. We propose Fourier transform infrared (FTIR) microspectroscopy as a versatile method to identify the early and last stages of the differentiation process leading to the formation of hepatocytes. Using synchrotron-FTIR microspectroscopy, the means of identifying hepatocytes at the single-cell level is possible and explored. Principal component analysis and subsequent partial least-squares (PLS) discriminant analysis is applied to distinguish endoderm induction from hepatic progenitor cells and matured hepatocyte-like cells. The data are well modeled by PLS with endoderm induction, hepatic progenitor cells, and mature hepatocyte-like cells able to be discriminated with very high sensitivity and specificity. This method provides a practical tool to monitor endoderm induction and has the potential to be applied for quality control of cell differentiation leading to hepatocyte formation.

Harvest-time prediction of apple physiological indices using fiber optic Fourier transform near-infrared spectrometer

NASA Astrophysics Data System (ADS)

Liu, Yande; Ying, Yibin; Lu, Huishan; Fu, Xiaping

2004-12-01

This work evaluates the feasibility of Fourier transform near infrared (FT-NIR) spectrometry for rapid determining the total soluble solids content and acidity of apple fruit. Intact apple fruit were measured by reflectance FT-NIR in 800-2500 nm range. FT-NIR models were developed based on partial least square (PLS) regression and principal component regress (PCR) with respect to the reflectance and its first derivative, the logarithms of the reflectance reciprocal and its second derivative. The above regression models, related the FT-NIR spectra to soluble solids content (SSC), titratable acidity (TA) and available acidity (pH). The best combination, based on the prediction results, was PLS models with respect to the logarithms of the reflectance reciprocal. Predictions with PLS models resulted standard errors of prediction (SEP) of 0.455, 0.044 and 0.068, and correlation coefficients of 0.968, 0.728 and 0.831 for SSC, TA and pH, respectively. It was concluded that by using the FT-NIR spectrometry measurement system, in the appropriate spectral range, it is possible to nondestructively assess the maturity factors of apple fruit.

Identification of a Methane Oxidation Intermediate on Solid Oxide Fuel Cell Anode Surfaces with Fourier Transform Infrared Emission.

PubMed

Pomfret, Michael B; Steinhurst, Daniel A; Owrutsky, Jeffrey C

2013-04-18

Fuel interactions on solid oxide fuel cell (SOFC) anodes are studied with in situ Fourier transform infrared emission spectroscopy (FTIRES). SOFCs are operated at 800 °C with CH4 as a representative hydrocarbon fuel. IR signatures of gas-phase oxidation products, CO2(g) and CO(g), are observed while cells are under load. A broad feature at 2295 cm(-1) is assigned to CO2 adsorbed on Ni as a CH4 oxidation intermediate during cell operation and while carbon deposits are electrochemically oxidized after CH4 operation. Electrochemical control provides confirmation of the assignment of adsorbed CO2. FTIRES has been demonstrated as a viable technique for the identification of fuel oxidation intermediates and products in working SOFCs, allowing for the elucidation of the mechanisms of fuel chemistry.

Matching 4.7-Å XRD spacing in amelogenin nanoribbons and enamel matrix.

PubMed

Sanii, B; Martinez-Avila, O; Simpliciano, C; Zuckermann, R N; Habelitz, S

2014-09-01

The recent discovery of conditions that induce nanoribbon structures of amelogenin protein in vitro raises questions about their role in enamel formation. Nanoribbons of recombinant human full-length amelogenin (rH174) are about 17 nm wide and self-align into parallel bundles; thus, they could act as templates for crystallization of nanofibrous apatite comprising dental enamel. Here we analyzed the secondary structures of nanoribbon amelogenin by x-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) and tested if the structural motif matches previous data on the organic matrix of enamel. XRD analysis showed that a peak corresponding to 4.7 Å is present in nanoribbons of amelogenin. In addition, FTIR analysis showed that amelogenin in the form of nanoribbons was comprised of β-sheets by up to 75%, while amelogenin nanospheres had predominantly random-coil structure. The observation of a 4.7-Å XRD spacing confirms the presence of β-sheets and illustrates structural parallels between the in vitro assemblies and structural motifs in developing enamel. © International & American Associations for Dental Research.

Matching 4.7-Å XRD Spacing in Amelogenin Nanoribbons and Enamel Matrix

PubMed Central

Sanii, B.; Martinez-Avila, O.; Simpliciano, C.; Zuckermann, R.N.; Habelitz, S.

2014-01-01

The recent discovery of conditions that induce nanoribbon structures of amelogenin protein in vitro raises questions about their role in enamel formation. Nanoribbons of recombinant human full-length amelogenin (rH174) are about 17 nm wide and self-align into parallel bundles; thus, they could act as templates for crystallization of nanofibrous apatite comprising dental enamel. Here we analyzed the secondary structures of nanoribbon amelogenin by x-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) and tested if the structural motif matches previous data on the organic matrix of enamel. XRD analysis showed that a peak corresponding to 4.7 Å is present in nanoribbons of amelogenin. In addition, FTIR analysis showed that amelogenin in the form of nanoribbons was comprised of β-sheets by up to 75%, while amelogenin nanospheres had predominantly random-coil structure. The observation of a 4.7-Å XRD spacing confirms the presence of β-sheets and illustrates structural parallels between the in vitro assemblies and structural motifs in developing enamel. PMID:25048248

A Study of the Applicability of Atomic Emission Spectroscopy (AES), Fourier Transform Infrared (FT-IR) Spectroscopy, Direct Reading and Analytical Ferrography on High Performance Aircraft Engine Lubricating Oils

DTIC Science & Technology

1998-01-01

Ferrography on High Performance Aircraft Engine Lubricating Oils Allison M. Toms, Sharon 0. Hem, Tim Yarborough Joint Oil Analysis Program Technical...turbine engines by spectroscopy (AES and FT-IR) and direct reading and analytical ferrography . A statistical analysis of the data collected is...presented. Key Words: Analytical ferrography ; atomic emission spectroscopy; condition monitoring; direct reading ferrography ; Fourier transform infrared

Applying Fourier Transform Mid Infrared Spectroscopy to Detect the Adulteration of Salmo salar with Oncorhynchus mykiss

PubMed Central

Moreira, Maria João

2018-01-01

The aim of this study was to evaluate the potential of Fourier transform infrared (FTIR) spectroscopy coupled with chemometric methods to detect fish adulteration. Muscles of Atlantic salmon (Salmo salar) (SS) and Salmon trout (Onconrhynchus mykiss) (OM) muscles were mixed in different percentages and transformed into mini-burgers. These were stored at 3 °C, then examined at 0, 72, 160, and 240 h for deteriorative microorganisms. Mini-burgers was submitted to Soxhlet extraction, following which lipid extracts were analyzed by FTIR. The principal component analysis (PCA) described the studied adulteration using four principal components with an explained variance of 95.60%. PCA showed that the absorbance in the spectral region from 721, 1097, 1370, 1464, 1655, 2805, to 2935, 3009 cm−1 may be attributed to biochemical fingerprints related to differences between SS and OM. The partial least squares regression (PLS-R) predicted the presence/absence of adulteration in fish samples of an external set with high accuracy. The proposed methods have the advantage of allowing quick measurements, despite the storage time of the adulterated fish. FTIR combined with chemometrics showed that a methodology to identify the adulteration of SS with OM can be established, even when stored for different periods of time. PMID:29621135

Rapid identification of Lonicerae japonicae Flos and Lonicerae Flos by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation analysis

NASA Astrophysics Data System (ADS)

Yan, Rui; Chen, Jian-bo; Sun, Su-qin; Guo, Bao-lin

2016-11-01

Lonicerae japonicae Flos (LJF) and Lonicerae Flos (LF) are widely-used herbs derived from several plants of the genus Lonicera with similar appearances. LF are usually misused or counterfeited as LJF for economically motivated adulteration. However, the saponins in LF may cause serious side-effects. In this research, the infrared spectroscopic tri-step identification approach is used to develop a simple and rapid method to discriminate LJF and LF to ensure the safety and efficacy of these herbal drugs. In the primary identification by Fourier transform infrared spectra, LJF and LF show different peaks near 1534, 1404, and 781 cm-1. In the secondary identification by the second derivative infrared spectra, LJF and LF show more different peaks near 1078, 1050, 988, 923, 855, 815, and 781 cm-1. In the tertiary identification by the two-dimensional correlation infrared spectra, the differences between LJF and LF are shown more remarkably and convincingly. The results show the potential of the infrared spectroscopic tri-step identification approach in the rapid identification of LJF and LF when the samples are too few to build a statistical recognition rule. This should be very helpful to ensure the quality, safety, and efficacy of LJF and LF for clinical applications.

Fourier Transforms for Chemists Part III. Fourier Transforms in Data Treatment.

ERIC Educational Resources Information Center

Glasser, L.

1987-01-01

Discusses the factors affecting the behavior of a spectral function. Lists some important properties of Fourier transform (FT) pairs that are helpful when using the FT. Notes that these properties of the mathematical formulation have identical counterparts in the physical behavior of FT systems. (TW)

Application of attenuated total reflectance Fourier transform infrared spectroscopy for determination of cefixime in oral pharmaceutical formulations.

PubMed

Kandhro, Aftab A; Laghari, Abdul Hafeez; Mahesar, Sarfaraz A; Saleem, Rubina; Nelofar, Aisha; Khan, Salman Tariq; Sherazi, S T H

2013-11-01

A quick and reliable analytical method for the quantitative assessment of cefixime in orally administered pharmaceutical formulations is developed by using diamond cell attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy as an easy procedure for quality control laboratories. The standards for calibration were prepared in aqueous medium ranging from 350 to 6000mg/kg. The calibration model was developed based on partial least square (PLS) using finger print region of FT-IR spectrum in the range from 1485 to 887cm(-1). Excellent coefficient of determination (R(2)) was achieved as high as 0.99976 with root mean square error of 44.8 for calibration. The application of diamond cell (smart accessory) ATR FT-IR proves a reliable determination of cefixime in pharmaceutical formulations to assess the quality of the final product. Copyright © 2013 Elsevier B.V. All rights reserved.

Study of tissue engineered bone nodules by Fourier transform infrared spectroscopy.

PubMed

Aydin, Halil Murat; Hu, Bin; Suso, Josep Sulé; El Haj, Alicia; Yang, Ying

2011-02-21

The key criteria for assessing the success of bone tissue engineering are the quality and quantity of the produced minerals within the cultured constructs. The accumulation of calcium ions and inorganic phosphates in culture medium serves as nucleating agents for the formation of hydroxyapatite, which is the main inorganic component of bone. Bone nodule formation is one of the hallmarks of mineralization in such cell cultures. In this study, we developed a new two-step procedure to accelerate bone formation in which mouse bone cell aggregates were produced first on various chemically treated non-adhesive substrates. After this step, the bone cells' growth and mineralization were followed in conventional culture plates. The number and size of cell aggregates were studied with light microscopy. The minerals' formation in the form of nodules produced by the cell aggregates and the bone crystal quality were studied with Fourier Transform Infrared (FTIR) spectroscopy. The FTIR spectra of the ash specimens (mineral phase only) from thermal gravimetric analysis (TGA) provided valuable information of the quality of the minerals. The υ(4) PO(4) region (550-650 cm(-1)), which reveals apatitic and non-apatitic HPO(4) or PO(4) environments, and phosphate region (910-1180 cm(-1)) were examined for the minerals produced in the form of nodules. The peak position and intensity of the spectra demonstrate that the quality of the bone produced by cell aggregates, especially from the bigger ones, which were formed on Plunoric treated substrates, exhibit a composition more similar to that of native bone. This work establishes a new protocol for high quality bone formation and characterization, with the potential to be applied to bone tissue engineering.

Development and Evaluation of the Interferometric Monitor for Greenhouse Gases: a High-throughput Fourier-transform Infrared Radiometer for Nadir Earth Observation

NASA Astrophysics Data System (ADS)

Kobayashi, Hirokazu; Shimota, Akiro; Kondo, Kayoko; Okumura, Eisuke; Kameda, Yoshihiko; Shimoda, Haruhisa; Ogawa, Toshihiro

1999-11-01

The interferometric monitor for greenhouse gases (IMG) was the precursor of the high-resolution Fourier-transform infrared radiometer (FTIR) onboard a satellite for observation of the Earth. The IMG endured the stress of a rocket launch, demonstrating that the high-resolution, high-throughput spectrometer is indeed feasible for use onboard a satellite. The IMG adopted a newly developed lubricant-free magnetic suspension mechanism and a dynamic alignment system for the moving mirror with a maximum traveling distance of 10 cm. We present the instrumentation of the IMG, characteristics of the movable mirror drive system, and the evaluation results of sensor specifications during space operation.

Long open-path measurements of greenhouse gases in air using near-infrared Fourier transform spectroscopy

NASA Astrophysics Data System (ADS)

Griffith, David W. T.; Pöhler, Denis; Schmitt, Stefan; Hammer, Samuel; Vardag, Sanam N.; Platt, Ulrich

2018-03-01

In complex and urban environments, atmospheric trace gas composition is highly variable in time and space. Point measurement techniques for trace gases with in situ instruments are well established and accurate, but do not provide spatial averaging to compare against developing high-resolution atmospheric models of composition and meteorology with resolutions of the order of a kilometre. Open-path measurement techniques provide path average concentrations and spatial averaging which, if sufficiently accurate, may be better suited to assessment and interpretation with such models. Open-path Fourier transform spectroscopy (FTS) in the mid-infrared region, and differential optical absorption spectroscopy (DOAS) in the UV and visible, have been used for many years for open-path spectroscopic measurements of selected species in both clean air and in polluted environments. Near infrared instrumentation allows measurements over longer paths than mid-infrared FTS for species such as greenhouse gases which are not easily accessible to DOAS.In this pilot study we present the first open-path near-infrared (4000-10 000 cm-1, 1.0-2.5 µm) FTS measurements of CO2, CH4, O2, H2O and HDO over a 1.5 km path in urban Heidelberg, Germany. We describe the construction of the open-path FTS system, the analysis of the collected spectra, several measures of precision and accuracy of the measurements, and the results a four-month trial measurement period in July-November 2014. The open-path measurements are compared to calibrated in situ measurements made at one end of the open path. We observe significant differences of the order of a few ppm for CO2 and a few tens of ppb for CH4 between the open-path and point measurements which are 2 to 4 times the measurement repeatability, but we cannot unequivocally assign the differences to specific local sources or sinks. We conclude that open-path FTS may provide a valuable new tool for investigations of atmospheric trace gas composition in

Rainbow Fourier Transform

NASA Technical Reports Server (NTRS)

Alexandrov, Mikhail D.; Cairns, Brian; Mishchenko, Michael I.

2012-01-01

We present a novel technique for remote sensing of cloud droplet size distributions. Polarized reflectances in the scattering angle range between 135deg and 165deg exhibit a sharply defined rainbow structure, the shape of which is determined mostly by single scattering properties of cloud particles, and therefore, can be modeled using the Mie theory. Fitting the observed rainbow with such a model (computed for a parameterized family of particle size distributions) has been used for cloud droplet size retrievals. We discovered that the relationship between the rainbow structures and the corresponding particle size distributions is deeper than it had been commonly understood. In fact, the Mie theory-derived polarized reflectance as a function of reduced scattering angle (in the rainbow angular range) and the (monodisperse) particle radius appears to be a proxy to a kernel of an integral transform (similar to the sine Fourier transform on the positive semi-axis). This approach, called the rainbow Fourier transform (RFT), allows us to accurately retrieve the shape of the droplet size distribution by the application of the corresponding inverse transform to the observed polarized rainbow. While the basis functions of the proxy-transform are not exactly orthogonal in the finite angular range, this procedure needs to be complemented by a simple regression technique, which removes the retrieval artifacts. This non-parametric approach does not require any a priori knowledge of the droplet size distribution functional shape and is computationally fast (no look-up tables, no fitting, computations are the same as for the forward modeling).

Analysis of Complex Carbohydrate Composition in Plant Cell Wall Using Fourier Transformed Mid-Infrared Spectroscopy (FT-IR).

PubMed

Badhan, Ajay; Wang, Yuxi; McAllister, Tim A

2017-01-01

Fourier transformed mid-infrared spectroscopy (FTIR) is a powerful tool for compositional analysis of plant cell walls (Acebes et al., Front Plant Sci 5:303, 2014; Badhan et al., Biotechnol Biofuels 7:1-15, 2014; Badhan et al., BioMed Res Int 2015: 562952, 2015; Roach et al., Plant Physiol 156:1351-1363, 2011). The infrared spectrum generates a fingerprint of a sample with absorption peaks corresponding to the frequency of vibrations between the bonds of the atoms making up the material. Here, we describe a method focused on the use of FTIR in combination with principal component analysis (PCA) to characterize the composition of the plant cell wall. This method has been successfully used to study complex enzyme saccharification processes like rumen digestion to identify recalcitrant moieties in low-quality forage which resist rumen digestion (Badhan et al., BioMed Res Int 2015: 562952, 2015), as well as to characterize cell wall mutant lines or transgenic lines expressing exogenous hydrolases (Badhan et al., Biotechnol Biofuels 7:1-15, 2014; Roach et al., Plant Physiol 156:1351-1363, 2011). The FTIR method described here facilitates high-throughput identification of the major compositional differences across a large set of samples in a low cost and nondestructive manner.

Prediction and repeatability of milk coagulation properties and curd-firming modeling parameters of ovine milk using Fourier-transform infrared spectroscopy and Bayesian models.

PubMed

Ferragina, A; Cipolat-Gotet, C; Cecchinato, A; Pazzola, M; Dettori, M L; Vacca, G M; Bittante, G

2017-05-01

The aim of this study was to apply Bayesian models to the Fourier-transform infrared spectroscopy spectra of individual sheep milk samples to derive calibration equations to predict traditional and modeled milk coagulation properties (MCP), and to assess the repeatability of MCP measures and their predictions. Data consisted of 1,002 individual milk samples collected from Sarda ewes reared in 22 farms in the region of Sardinia (Italy) for which MCP and modeled curd-firming parameters were available. Two milk samples were taken from 87 ewes and analyzed with the aim of estimating repeatability, whereas a single sample was taken from the other 915 ewes. Therefore, a total of 1,089 analyses were performed. For each sample, 2 spectra in the infrared region 5,011 to 925 cm -1 were available and averaged before data analysis. BayesB models were used to calibrate equations for each of the traits. Prediction accuracy was estimated for each trait and model using 20 replicates of a training-testing validation procedure. The repeatability of MCP measures and their predictions were also compared. The correlations between measured and predicted traits, in the external validation, were always higher than 0.5 (0.88 for rennet coagulation time). We confirmed that the most important element for finding the prediction accuracy is the repeatability of the gold standard analyses used for building calibration equations. Repeatability measures of the predicted traits were generally high (≥95%), even for those traits with moderate analytical repeatability. Our results show that Bayesian models applied to Fourier-transform infrared spectra are powerful tools for cheap and rapid prediction of important traits in ovine milk and, compared with other methods, could help in the interpretation of results. Copyright © 2017 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Analysis of pork adulteration in beef meatball using Fourier transform infrared (FTIR) spectroscopy.

PubMed

Rohman, A; Sismindari; Erwanto, Y; Che Man, Yaakob B

2011-05-01

Meatball is one of the favorite foods in Indonesia. The adulteration of pork in beef meatball is frequently occurring. This study was aimed to develop a fast and non destructive technique for the detection and quantification of pork in beef meatball using Fourier transform infrared (FTIR) spectroscopy and partial least square (PLS) calibration. The spectral bands associated with pork fat (PF), beef fat (BF), and their mixtures in meatball formulation were scanned, interpreted, and identified by relating them to those spectroscopically representative to pure PF and BF. For quantitative analysis, PLS regression was used to develop a calibration model at the selected fingerprint regions of 1200-1000 cm(-1). The equation obtained for the relationship between actual PF value and FTIR predicted values in PLS calibration model was y = 0.999x + 0.004, with coefficient of determination (R(2)) and root mean square error of calibration are 0.999 and 0.442, respectively. The PLS calibration model was subsequently used for the prediction of independent samples using laboratory made meatball samples containing the mixtures of BF and PF. Using 4 principal components, root mean square error of prediction is 0.742. The results showed that FTIR spectroscopy can be used for the detection and quantification of pork in beef meatball formulation for Halal verification purposes. Copyright © 2010 The American Meat Science Association. Published by Elsevier Ltd. All rights reserved.

Thermal behavior of silicone rubber-based ceramizable composites characterized by Fourier transform infrared (FT-IR) spectroscopy and microcalorimetry.

PubMed

Anyszka, Rafał; Bieliński, Dariusz M; Jędrzejczyk, Marcin

2013-12-01

Ceramizable (ceramifiable) silicone rubber-based composites are commonly used for cable insulation. These materials are able to create a protective ceramic layer during fire due to the ceramization process, which occurs at high temperature. When the temperature is increased, the polymer matrix is degraded and filler particles stick together by the fluxing agent, producing a solid, continuous ceramic phase that protects the copper wire from heat and mechanical stress. Despite increasing interest in these materials that has resulted in growing applications in the cable industry, their thermal behavior and ceramization process are still insufficiently described in the literature. In this paper, the thermal behavior of ceramizable silicone rubber-based composites is studied using microcalorimetry and Fourier transform infrared spectroscopy. The analysis of the experimental data made it possible to develop complete information on the mechanism of composite ceramization.

Discrimination of healthy and osteoarthritic articular cartilages by Fourier transform infrared imaging and partial least squares-discriminant analysis.

PubMed

Zhang, Xue-Xi; Yin, Jian-Hua; Mao, Zhi-Hua; Xia, Yang

2015-06-01

Fourier transform infrared imaging (FTIRI) combined with chemometrics algorithm has strong potential to obtain complex chemical information from biology tissues. FTIRI and partial least squares-discriminant analysis (PLS-DA) were used to differentiate healthy and osteoarthritic (OA) cartilages for the first time. A PLS model was built on the calibration matrix of spectra that was randomly selected from the FTIRI spectral datasets of healthy and lesioned cartilage. Leave-one-out cross-validation was performed in the PLS model, and the fitting coefficient between actual and predicted categorical values of the calibration matrix reached 0.95. In the calibration and prediction matrices, the successful identifying percentages of healthy and lesioned cartilage spectra were 100% and 90.24%, respectively. These results demonstrated that FTIRI combined with PLS-DA could provide a promising approach for the categorical identification of healthy and OA cartilage specimens.

High-resolution Fourier transform infrared spectroscopy and analysis of the ν12 fundamental band of ethylene- d4

NASA Astrophysics Data System (ADS)

Tan, T. L.; Goh, K. L.; Ong, P. P.; Teo, H. H.

1999-12-01

The Fourier transform infrared (IR) spectrum of the ν12 fundamental band of ethylene- d4 (C 2D 4) has been measured with an unapodized resolution of 0.004 cm -1 in the frequency range of 1030-1130 cm -1. A total of 1340 assigned transitions have been analyzed and fitted using a Watson's A-reduced Hamiltonian in the Ir representation to derive rovibrational constants for the upper state ( v12=1) up to five quartic terms with a standard deviation of 0.00042 cm -1. They represent the most accurate constants for the band thus far. The ground state rovibrational constants were also further improved by a fit of combination-differences from the IR measurements. The relatively unperturbed band was found to be basically A-type with a band centre at 1076.98492±0.00003 cm -1.

Fourier transform infrared spectroscopy imaging of live epithelial cancer cells under non-aqueous media.

PubMed

Soh, JunYi; Chueng, Adeline; Adio, Aminat; Cooper, Alan J; Birch, Brian R; Lwaleed, Bashir A

2013-04-01

Fourier transform infrared (FT-IR) imaging is increasingly being applied to biomedical specimens, but strong IR absorption by water complicates live cell imaging. This study investigates the viability of adherent epithelial cells maintained for short periods under mineral oils in order to facilitate live cell spectroscopy using FT-IR with subsequent imaging. The MGH-U1 urothelial or CaCo2 colorectal cancer cell lines were grown on plastic surfaces or mid-range infrared transparent windows. Medium in established cultures was replaced with paraffin mineral oil, or Fluorolube, for up to 2 h, and viability assessed by supravital staining. Drug handling characteristics were also assessed. Imaging of preparations was attempted by reflectance and transmission using a Varian FT-IR microscope. Cells covered by mineral oil remained viable for 2 h, with recovery into normal medium possible. MTT ((3-(4,5-dimethylthlazol-2-yl)-2,5-diphenyl tetrazolium) conversion to crystalline formazan and differential patterns of drug uptake were maintained. The combination of a calcium fluoride substrate, Fluorolube oil, and transmission optics proved best for spectroscopy. Spectral features were used to obtain images of live cells. The viability of cells overlaid with IR transparent oils was assessed as part of a technique to optimise conditions for FT-IR imaging. Images of untreated cells were obtained using both reflectance and transmission. This represents an effective means of imaging live cells by IR spectroscopy, and also means that imaging is not necessarily a terminal event. It also increases options for producing images based on real-time biochemistry in a range of in vitro experimental and 'optical biopsy' contexts.

Fourier transform vibrational circular dichroism of small pharmaceutical molecules

NASA Astrophysics Data System (ADS)

Long, Fujin; Freedman, Teresa B.; Nafie, Laurence A.

1998-06-01

Fourier transform vibrational circular dichroism (FT-VCD) spectra of the small pharmaceutical molecules propanolol, ibuprofen and naproxen have been measured in the hydrogen stretching and mid-infrared regions to obtain information on solution conformation and to identify markers for absolute configuration determination. Ab initio molecular orbital calculations of low energy conformations, vibrational frequencies and VCD intensities for fragments of the drugs were utilized in interpreting the spectra. Features characteristic of five conformers of propranolol were identified. The weak positive CH stretching VCD signal in ibuprofen and naproxen is characteristic of the S-configuration of the chiral center common to these two analgesics.

The morphing of geographical features by Fourier transformation.

PubMed

Li, Jingzhong; Liu, Pengcheng; Yu, Wenhao; Cheng, Xiaoqiang

2018-01-01

This paper presents a morphing model of vector geographical data based on Fourier transformation. This model involves three main steps. They are conversion from vector data to Fourier series, generation of intermediate function by combination of the two Fourier series concerning a large scale and a small scale, and reverse conversion from combination function to vector data. By mirror processing, the model can also be used for morphing of linear features. Experimental results show that this method is sensitive to scale variations and it can be used for vector map features' continuous scale transformation. The efficiency of this model is linearly related to the point number of shape boundary and the interceptive value n of Fourier expansion. The effect of morphing by Fourier transformation is plausible and the efficiency of the algorithm is acceptable.

Nondestructive quantification of the soluble-solids content and the available acidity of apples by Fourier-transform near-infrared spectroscopy

NASA Astrophysics Data System (ADS)

Ying, Yibin; Liu, Yande; Tao, Yang

2005-09-01

This research evaluated the feasibility of using Fourier-transform near-infrared (FT-NIR) spectroscopy to quantify the soluble-solids content (SSC) and the available acidity (VA) in intact apples. Partial least-squares calibration models, obtained from several preprocessing techniques (smoothing, derivative, etc.) in several wave-number ranges were compared. The best models were obtained with the high coefficient determination (r) 0.940 for the SSC and a moderate r of 0.801 for the VA, root-mean-square errors of prediction of 0.272% and 0.053%, and root-mean-square errors of calibration of 0.261% and 0.046%, respectively. The results indicate that the FT-NIR spectroscopy yields good predictions of the SSC and also showed the feasibility of using it to predict the VA of apples.

Loading of halloysite nanotubes with BSA, α-Lac and β-Lg: a Fourier transform infrared spectroscopic and thermogravimetric study

NASA Astrophysics Data System (ADS)

Duce, Celia; Della Porta, Valentina; Bramanti, Emilia; Campanella, Beatrice; Spepi, Alessio; Tiné, Maria Rosaria

2017-02-01

Halloysite nanotubes (HNTs) are considered as ideal materials for biotechnological and medical applications. An important feature of halloysite is that it has a different surface chemistry on the inner and outer sides of the tubes. This property means that negatively-charged molecules can be selectively loaded inside the halloysite nanoscale its lumen. Loaded HNTs can be used for the controlled or sustained release of proteins, drugs, bioactive molecules and other agents. We studied the interaction between HNTs and bovine serum albumin, α lactalbumin and β -lactoglobulin loaded into HTNs using Fourier transform infrared spectroscopy and thermogravimetry. These techniques enabled us to study the protein conformation and thermal stability, respectively, and to estimate the amount of protein loaded into the HNTs. TEM images confirmed the loading of proteins into HTNs.

Discrimination between Bacillus and Alicyclobacillus isolates in apple juice by Fourier transform infrared spectroscopy and multivariate analysis.

PubMed

Al-Holy, Murad A; Lin, Mengshi; Alhaj, Omar A; Abu-Goush, Mahmoud H

2015-02-01

Alicyclobacillus is a causative agent of spoilage in pasteurized and heat-treated apple juice products. Differentiating between this genus and the closely related Bacillus is crucially important. In this study, Fourier transform infrared spectroscopy (FT-IR) was used to identify and discriminate between 4 Alicyclobacillus strains and 4 Bacillus isolates inoculated individually into apple juice. Loading plots over the range of 1350 and 1700 cm(-1) reflected the most distinctive biochemical features of Bacillus and Alicyclobacillus. Multivariate statistical methods (for example, principal component analysis and soft independent modeling of class analogy) were used to analyze the spectral data. Distinctive separation of spectral samples was observed. This study demonstrates that FT-IR spectroscopy in combination with multivariate analysis could serve as a rapid and effective tool for fruit juice industry to differentiate between Bacillus and Alicyclobacillus and to distinguish between species belonging to these 2 genera. © 2015 Institute of Food Technologists®

Rapid estimation of the biochemical methane potential of plant biomasses using Fourier transform mid-infrared photoacoustic spectroscopy.

PubMed

Bekiaris, Georgios; Triolo, Jin M; Peltre, Clément; Pedersen, Lene; Jensen, Lars S; Bruun, Sander

2015-12-01

Biochemical methane potential (BMP) is a very important characteristic of a given feedstock for optimisation of its use in biogas production. However, the long digestion time needed to determine BMP is the main limitation for the use of this assay during the operation of anaerobic digesters to produce biogas. Fourier transform mid-infrared photoacoustic spectroscopy (FTIR-PAS) was used to predict the BMP of 87 plant biomasses. The developed calibration model was able to explain 81% of the variance in the measured BMP of a selected test set with a root mean square error (RMSE) of 40NLCH4kg(-1) of volatile solids (VS) and a ratio of performance to deviation (RPD) of 2.38. The interpretation of the regression coefficients used in the calibration revealed a positive correlation of BMP with easily degradable compounds (amorphous cellulose, hemicellulose and aliphatic compounds) and a negative correlation with inhibitors of cellulose hydrolysis (lignin, hemicellulose). Copyright © 2015 Elsevier Ltd. All rights reserved.

Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy

NASA Astrophysics Data System (ADS)

Qu, Lei; Chen, Jian-bo; Zhang, Gui-Jun; Sun, Su-qin; Zheng, Jing

2017-03-01

As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p = 0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR.

Fast quality control of Herba Epimedii by using Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Pei, Li-Kuan; Sun, Su-Qin; Guo, Bao-Lin; Huang, Wen-Hua; Xiao, Pei-Gen

2008-07-01

Herba Epimedii is a well-known traditional Chinese medicine (TCM) having the effect of nourishing the kidney and strengthening the 'Yang'. Its primary effective constituents are considered to be the 8-prenyl flavonols, which can be assorted into 4'-methoxyl-prenylflavonols (MPFs) and 4'-hydroxyl-prenylflavonols (HPFs), according to the group (methoxyl or hydroxyl) located at 4' in their structures. The Fourier transform infrared spectroscopy (FT-IR) has been widely used in the researches of TCMs. In the present study, the FT-IR was attempted to be applied in the quality control of Herba Epimedii. We compared the IR spectra of 17 pure flavonoids, of which eight were derived from Herba Epimedii, and found a characteristic absorption peak at 1259 ± 1 cm -1, corresponding to the MPFs, the major 8-prenyl flavonols in the aerial parts of the Epimedium species. This peak could also be found in the IR spectra of both the herbal samples and their 70% ethanol extracts. Moreover, the intensity of this peak was in the direct correlation with the total content of MPFs. The correlation values, representing the semblance of two spectra, of the IR spectrum of herbal sample and icariin, in the range of 1280-1200 cm -1, had been established to be a good index for the quality control of the herbs. Accordingly, a correlation value of not less than 0.50 could be used as the essential screening criteria for the herbs. The FT-IR could be used for the fast and effective quality control of Herba Epimedii.

Dissociation of heme from gaseous myoglobin ions studied by infrared multiphoton dissociation spectroscopy and Fourier-transform ion cyclotron resonance mass spectrometry

NASA Astrophysics Data System (ADS)

Wang, Yi-Sheng; Sabu, Sahadevan; Wei, Shih-Chia; Josh Kao, C.-M.; Kong, Xianglei; Liau, Shing-Chih; Han, Chau-Chung; Chang, Huan-Cheng; Tu, Shih-Yu; Kung, A. H.; Zhang, John Z. H.

2006-10-01

Detachment of heme prosthetic groups from gaseous myoglobin ions has been studied by collision-induced dissociation and infrared multiphoton dissociation in combination with Fourier-transform ion cyclotron resonance mass spectrometry. Multiply charged holomyoglobin ions (hMbn +) were generated by electrospray ionization and transferred to an ion cyclotron resonance cell, where the ions of interest were isolated and fragmented by either collision with Ar atoms or irradiation with 3μm photons, producing apomyoglobin ions (aMbn +). Both charged heme loss (with [Fe(III)-heme]+ and aMb(n-1)+ as the products) and neutral heme loss (with [Fe(II)-heme] and aMbn + as the products) were detected concurrently for hMbn + produced from a myoglobin solution pretreated with reducing reagents. By reference to Ea=0.9eV determined by blackbody infrared radiative dissociation for charged heme loss of ferric hMbn +, an activation energy of 1.1eV was deduced for neutral heme loss of ferrous hMbn + with n =9 and 10.

Analysis of trichothecene mycotoxins in contaminated grains by gas chromatography/matrix isolation/Fourier transform infrared spectroscopy and gas chromatography/mass spectrometry.

PubMed

Mossoba, M M; Adams, S; Roach, J A; Trucksess, M W

1996-01-01

Gas chromatography/matrix isolation/Fourier transform infrared (GC/MI/FTIR) spectroscopy and GC/mass spectrometry (MS) were used to confirm the identities of trimethylsilyl (TMS) derivatives of trichothecene mycotoxins in naturally contaminated grains. Infrared spectral bands observed in the fingerprint region were unique for 10 trichothecene standards. Characteristic absorption bands were observed for the ester (near 1750 cm-1) and ketone (near 1700 cm-1) carbonyl stretching vibrations, the acetate CH3 symmetric bend (1370 cm-1), the epoxide ring (1262 cm-1), the trimethylsilyl CH3 in-plane deformation (1253 cm-1), the ester (O)C-O asymmetric stretching vibration (near 1244 cm-1), and several other bands including intense features due to the TMS function. Infrared bands observed under cryogenic matrix isolation conditions were compared with those found at room temperature in a potassium bromide matrix for 5 of these standards. Identities of deoxynivalenol (DON) from barley and mixed feed, nivalenol from wheat and barley, and DON and fusarenon-x from sweet corn were confirmed by comparison of their infrared spectral bands with those of standards. The identity of DON in the same test samples of sweet corn was confirmed further by GC/MS. GC/MS was also used to quantitate the levels of DON (67-455 ppm) in sweet corn test samples.

XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite.

PubMed

Reyes-Gasga, José; Martínez-Piñeiro, Esmeralda L; Rodríguez-Álvarez, Galois; Tiznado-Orozco, Gaby E; García-García, Ramiro; Brès, Etienne F

2013-12-01

The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI)XRD index is related to the crystal structure of the samples and the (CI)FTIR index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI)XRD value indicated that enamel is more crystalline than synthetic HAP, while (CI)FTIR indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. © 2013.

Fourier transform infrared (FTIR) spectroscopy to monitor the cellular impact of newly synthesized platinum derivatives.

PubMed

Berger, Gilles; Gasper, Régis; Lamoral-Theys, Delphine; Wellner, Anja; Gelbcke, Michel; Gust, Ronald; Nève, Jean; Kiss, Robert; Goormaghtigh, Erik; Dufrasne, François

2010-09-01

Platinum complexes remain widely used to combat various types of cancers. Three platinum complexes, cisplatin, carboplatin and oxaliplatin, are marketed for various oncological purposes. Additionally, nedaplatin, lobaplatin and heptaplatin have gained regionally limited approval for oncology purposes. Furthermore, various platinum derivatives are currently under clinical trials. More than 40 years after their discovery, however, the precise mechanism of action of platinum antitumor complexes remains elusive, partly because these compounds display numerous intracellular targets. Structure-activity-relationship analyses are therefore difficult to conduct to optimize the synthesis of novel platinum derivatives. The aim of the present study is to illustrate the potential of using Fourier Transform Infrared (FTIR) analyses to monitor the cellular modifications induced by the new platinum derivatives that we have synthesized. We show in the present study the advantages of combining an in vitro assay to determine the IC50 growth inhibition concentrations of a series of compounds belonging to a given chemical series and FTIR analyses carried out at the IC50 concentrations for each compound to identify potential hits within this series of compounds. The original pharmacological approach proposed here could, therefore, avoid large-scale pharmacological experiments to find hits within a given chemical series.

Very low H O H bending frequencies. IV. Fourier transform infrared spectra of synthetic dittmarite

NASA Astrophysics Data System (ADS)

Šoptrajanov, Bojan; Stefov, Viktor; Kuzmanovski, Igor; Jovanovski, Gligor; Lutz, H. Dieter; Engelen, Bernward

2002-08-01

The Fourier transform infrared spectra of MgNH 4PO 4·H 2O (the synthetic analogue of the mineral dittmarite) and of a series of its partially deuterated analogues have been studied as a part of our continuous work on compounds exhibiting very low water bending frequencies. Although, the presence of ammonium bands makes the assignments in this case more difficult than for the potassium analogues, the isomorphism between the compounds of the MNH 4PO 4·H 2O type (M=Mg, Co, Ni, Mn and one of the polymorphs of CdNH 4PO 4·H 2O) and those which contain potassium instead of ammonium as well as the careful analysis of the spectra warrant the conclusion that in the presently studied compound the water bending mode appears at a frequency which is far more than 100 cm -1 lower than in the gaseous water. The spectra clearly show that the ammonium ions in the structure are involved in quite strong hydrogen bonds, a characteristic which is a precondition for a material to behave as a protonic conductor.

A New Green Method for the Quantitative Analysis of Enrofloxacin by Fourier-Transform Infrared Spectroscopy.

PubMed

Rebouças, Camila Tavares; Kogawa, Ana Carolina; Salgado, Hérida Regina Nunes

2018-05-18

Background: A green analytical chemistry method was developed for quantification of enrofloxacin in tablets. The drug, a second-generation fluoroquinolone, was first introduced in veterinary medicine for the treatment of various bacterial species. Objective: This study proposed to develop, validate, and apply a reliable, low-cost, fast, and simple IR spectroscopy method for quantitative routine determination of enrofloxacin in tablets. Methods: The method was completely validated according to the International Conference on Harmonisation guidelines, showing accuracy, precision, selectivity, robustness, and linearity. Results: It was linear over the concentration range of 1.0-3.0 mg with correlation coefficients >0.9999 and LOD and LOQ of 0.12 and 0.36 mg, respectively. Conclusions: Now that this IR method has met performance qualifications, it can be adopted and applied for the analysis of enrofloxacin tablets for production process control. The validated method can also be utilized to quantify enrofloxacin in tablets and thus is an environmentally friendly alternative for the routine analysis of enrofloxacin in quality control. Highlights: A new green method for the quantitative analysis of enrofloxacin by Fourier-Transform Infrared spectroscopy was validated. It is a fast, clean and low-cost alternative for the evaluation of enrofloxacin tablets.

Non-invasive characterization of colorants by portable diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy and chemometrics

NASA Astrophysics Data System (ADS)

Manfredi, Marcello; Barberis, Elettra; Aceto, Maurizio; Marengo, Emilio

2017-06-01

During the last years the need for non-invasive and non-destructive analytical methods brought to the development and application of new instrumentation and analytical methods for the in-situ analysis of cultural heritage objects. In this work we present the application of a portable diffuse reflectance infrared Fourier transform (DRIFT) method for the non-invasive characterization of colorants prepared according to ancient recipes and using egg white and Gum Arabic as binders. Approximately 50 colorants were analyzed with the DRIFT spectroscopy: we were able to identify and discriminate the most used yellow (i.e. yellow ochres, Lead-tin Yellow, Orpiment, etc.), red (i.e. red ochres, Hematite) and blue (i.e. Lapis Lazuli, Azurite, indigo) colorants, creating a complete DRIFT spectral library. The Principal Component Analysis-Discriminant Analysis (PCA-DA) was then employed for the colorants classification according to the chemical/mineralogical composition. The DRIFT analysis was also performed on a gouache painting of the artist Sutherland; and the colorants used by the painter were identified directly in-situ and in a non-invasive manner.

Angular acceptance analysis of an infrared focal plane array with a built-in stationary Fourier transform spectrometer.

PubMed

Gillard, Frédéric; Ferrec, Yann; Guérineau, Nicolas; Rommeluère, Sylvain; Taboury, Jean; Chavel, Pierre

2012-06-01

Stationary Fourier transform spectrometry is an interesting concept for building reliable field or embedded spectroradiometers, especially for the mid- and far- IR. Here, a very compact configuration of a cryogenic stationary Fourier transform IR (FTIR) spectrometer is investigated, where the interferometer is directly integrated in the focal plane array (FPA). We present a theoretical analysis to explain and describe the fringe formation inside the FTIR-FPA structure when illuminated by an extended source positioned at a finite distance from the detection plane. The results are then exploited to propose a simple front lens design compatible with a handheld package.

Quantification of trans-1,4-polyisoprene in Eucommia ulmoides by fourier transform infrared spectroscopy and pyrolysis-gas chromatography/mass spectrometry.

PubMed

Takeno, Shinya; Bamba, Takeshi; Nakazawa, Yoshihisa; Fukusaki, Eiichiro; Okazawa, Atsushi; Kobayashi, Akio

2008-04-01

Commercial development of trans-1,4-polyisoprene from Eucommia ulmoides Oliver (EU-rubber) requires specific knowledge on selection of high-rubber-content lines and establishment of agronomic cultivation methods for achieving maximum EU-rubber yield. The development can be facilitated by high-throughput and highly sensitive analytical techniques for EU-rubber extraction and quantification. In this paper, we described an efficient EU-rubber extraction method, and validated that the accuracy was equivalent to that of the conventional Soxhlet extraction method. We also described a highly sensitive quantification method for EU-rubber by Fourier transform infrared spectroscopy (FT-IR) and pyrolysis-gas chromatography/mass spectrometry (PyGC/MS). We successfully applied the extraction/quantification method for study of seasonal changes in EU-rubber content and molecular weight distribution.

The investigation of the effect of thermal treatment on bentonites from Turkey with Fourier transform infrared and solid state nuclear magnetic resonance spectroscopic methods.

PubMed

Erdoğan Alver, Burcu; Alver, Ozgür

2012-08-01

There is a great deal of interest in the building industry in burned clays for production of building materials. Therefore, the effect of heat treatment on natural bentonite from Turkey was investigated by Fourier transform infrared (FT-IR) between the region of 4000-400cm(-1) and (29)Si, (27)Al magic angle spinning nuclear magnetic resonance (MAS NMR) measurement techniques at various temperatures between 200 and 700°C for 2h. The structural changes were also investigated upon heat treatment. Copyright © 2012 Elsevier B.V. All rights reserved.

The morphing of geographical features by Fourier transformation

PubMed Central

Liu, Pengcheng; Yu, Wenhao; Cheng, Xiaoqiang

2018-01-01

This paper presents a morphing model of vector geographical data based on Fourier transformation. This model involves three main steps. They are conversion from vector data to Fourier series, generation of intermediate function by combination of the two Fourier series concerning a large scale and a small scale, and reverse conversion from combination function to vector data. By mirror processing, the model can also be used for morphing of linear features. Experimental results show that this method is sensitive to scale variations and it can be used for vector map features’ continuous scale transformation. The efficiency of this model is linearly related to the point number of shape boundary and the interceptive value n of Fourier expansion. The effect of morphing by Fourier transformation is plausible and the efficiency of the algorithm is acceptable. PMID:29351344

Fourier Transform Infrared Spectroscopy Part III. Applications.

ERIC Educational Resources Information Center

Perkins, W. D.

1987-01-01

Discusses the use of the FT-IR spectrometer in analyses that were previously avoided. Examines some of the applications of this spectroscopy with aqueous solutions, circular internal reflection, samples with low transmission, diffuse reflectance, infrared emission, and the infrared microscope. (TW)

Zero-crossing sampling of Fourier-transform interferograms and spectrum reconstruction using the real-zero interpolation method.

PubMed

Minami, K; Kawata, S; Minami, S

1992-10-10

The real-zero interpolation method is applied to a Fourier-transformed infrared (FT-IR) interferogram. With this method an interferogram is reconstructed from its zero-crossing information only, without the use of a long-word analog-to-digital converter. We installed a phase-locked loop circuit into an FT-IR spectrometer for oversampling the interferogram. Infrared absorption spectra of polystyrene and Mylar films were measured as binary interferograms by the FT-IR spectrometer, which was equipped with the developed circuits, and their Fourier spectra were successfully reconstructed. The relationship of the oversampling ratio to the dynamic range of the reconstructed interferogram was evaluated through computer simulations. We also discuss the problems of this method for practical applications.

Stacked Average Far-infrared Spectrum of Dusty Star-forming Galaxies from the Herschel/SPIRE Fourier Transform Spectrometer

NASA Astrophysics Data System (ADS)

Wilson, Derek; Cooray, Asantha; Nayyeri, Hooshang; Bonato, Matteo; Bradford, Charles M.; Clements, David L.; De Zotti, Gianfranco; Díaz-Santos, Tanio; Farrah, Duncan; Magdis, Georgios; Michałowski, Michał J.; Pearson, Chris; Rigopoulou, Dimitra; Valtchanov, Ivan; Wang, Lingyu; Wardlow, Julie

2017-10-01

We present stacked average far-infrared spectra of a sample of 197 dusty star-forming galaxies (DSFGs) at 0.005< z< 4 using about 90% of the Herschel Space Observatory SPIRE Fourier Transform Spectrometer (FTS) extragalactic data archive based on 3.5 years of science operations. These spectra explore an observed-frame 447-1568 GHz frequency range, allowing us to observe the main atomic and molecular lines emitted by gas in the interstellar medium. The sample is subdivided into redshift bins, and a subset of the bins are stacked by infrared luminosity as well. These stacked spectra are used to determine the average gas density and radiation field strength in the photodissociation regions (PDRs) of DSFGs. For the low-redshift sample, we present the average spectral line energy distributions of CO and H2O rotational transitions and consider PDR conditions based on observed [C I] 370 and 609 μm, and CO (7-6) lines. For the high-z (0.8< z< 4) sample, PDR models suggest a molecular gas distribution in the presence of a radiation field that is at least a factor of 103 larger than the Milky Way and with a neutral gas density of roughly {10}4.5-{10}5.5 cm-3. The corresponding PDR models for the low-z sample suggest a UV radiation field and gas density comparable to those at high-z. Given the challenges in obtaining adequate far-infrared observations, the stacked average spectra we present here will remain the measurements with the highest signal-to-noise ratio for at least a decade and a half until the launch of the next far-infrared facility. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

Discrimination of healthy and osteoarthritic articular cartilages by Fourier transform infrared imaging and partial least squares-discriminant analysis

PubMed Central

Zhang, Xue-Xi; Yin, Jian-Hua; Mao, Zhi-Hua; Xia, Yang

2015-01-01

Abstract. Fourier transform infrared imaging (FTIRI) combined with chemometrics algorithm has strong potential to obtain complex chemical information from biology tissues. FTIRI and partial least squares-discriminant analysis (PLS-DA) were used to differentiate healthy and osteoarthritic (OA) cartilages for the first time. A PLS model was built on the calibration matrix of spectra that was randomly selected from the FTIRI spectral datasets of healthy and lesioned cartilage. Leave-one-out cross-validation was performed in the PLS model, and the fitting coefficient between actual and predicted categorical values of the calibration matrix reached 0.95. In the calibration and prediction matrices, the successful identifying percentages of healthy and lesioned cartilage spectra were 100% and 90.24%, respectively. These results demonstrated that FTIRI combined with PLS-DA could provide a promising approach for the categorical identification of healthy and OA cartilage specimens. PMID:26057029

Baseline correction combined partial least squares algorithm and its application in on-line Fourier transform infrared quantitative analysis.

PubMed

Peng, Jiangtao; Peng, Silong; Xie, Qiong; Wei, Jiping

2011-04-01

In order to eliminate the lower order polynomial interferences, a new quantitative calibration algorithm "Baseline Correction Combined Partial Least Squares (BCC-PLS)", which combines baseline correction and conventional PLS, is proposed. By embedding baseline correction constraints into PLS weights selection, the proposed calibration algorithm overcomes the uncertainty in baseline correction and can meet the requirement of on-line attenuated total reflectance Fourier transform infrared (ATR-FTIR) quantitative analysis. The effectiveness of the algorithm is evaluated by the analysis of glucose and marzipan ATR-FTIR spectra. BCC-PLS algorithm shows improved prediction performance over PLS. The root mean square error of cross-validation (RMSECV) on marzipan spectra for the prediction of the moisture is found to be 0.53%, w/w (range 7-19%). The sugar content is predicted with a RMSECV of 2.04%, w/w (range 33-68%). Copyright © 2011 Elsevier B.V. All rights reserved.

[Infrared spectroscopy and XRD studies of coral fossils].

PubMed

Chen, Quan-li; Zhou, Guan-min; Yin, Zuo-wei

2012-08-01

Coral fossil is an old remain of multicellular animal on the earth, and formed by various geological processes. The structural characteristics and compositions of the coral fossils with different color and radial texture on the surface were studied by infrared absorption spectroscopy and X-ray powder diffraction analyses. The results show that the studied coral fossils mainly are composed of SiO2, and the radial microstructure characterized by the calcareous coral cross-section is preserved. It is formed by metasomatism by SiO2. The infrared absorption spectra of the coral fossil with different color and texture are essentially the same, showing typical infrared absorption spectra of the quartz jade. XRD analysis shows that the main components of the coral fossils with different color and texture are consistent and mainly composed of SiO2 with a trace amount of other minerals and without CaCO3.

Analysis of the Advantages and Limitations of Stationary Imaging Fourier Transform Spectrometer. Revised

NASA Technical Reports Server (NTRS)

Beecken, Brian P.; Kleinman, Randall R.

2004-01-01

New developments in infrared sensor technology have potentially made possible a new space-based system which can measure far-infrared radiation at lower costs (mass, power and expense). The Stationary Imaging Fourier Transform Spectrometer (SIFTS) proposed by NASA Langley Research Center, makes use of new detector array technology. A mathematical model which simulates resolution and spectral range relationships has been developed for analyzing the utility of such a radically new approach to spectroscopy. Calculations with this forward model emulate the effects of a detector array on the ability to retrieve accurate spectral features. Initial computations indicate significant attenuation at high wavenumbers.

Geometric interpretations of the Discrete Fourier Transform (DFT)

NASA Technical Reports Server (NTRS)

Campbell, C. W.

1984-01-01

One, two, and three dimensional Discrete Fourier Transforms (DFT) and geometric interpretations of their periodicities are presented. These operators are examined for their relationship with the two sided, continuous Fourier transform. Discrete or continuous transforms of real functions have certain symmetry properties. The symmetries are examined for the one, two, and three dimensional cases. Extension to higher dimension is straight forward.

Fourier Transform Mass Spectrometry.

ERIC Educational Resources Information Center

Gross, Michael L.; Rempel, Don L.

1984-01-01

Discusses the nature of Fourier transform mass spectrometry and its unique combination of high mass resolution, high upper mass limit, and multichannel advantage. Examines its operation, capabilities and limitations, applications (ion storage, ion manipulation, ion chemistry), and future applications and developments. (JN)

Nondestructive quantification of the soluble-solids content and the available acidity of apples by Fourier-transform near-infrared spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ying Yibin; Liu Yande; Tao Yang

2005-09-01

This research evaluated the feasibility of using Fourier-transform near-infrared (FT-NIR) spectroscopy to quantify the soluble-solids content (SSC) and the available acidity (VA) in intact apples. Partial least-squares calibration models, obtained from several preprocessing techniques (smoothing, derivative, etc.) in several wave-number ranges were compared. The best models were obtained with the high coefficient determination (r{sup 2}) 0.940 for the SSC and a moderate r{sup 2} of 0.801 for the VA, root-mean-square errors of prediction of 0.272% and 0.053%, and root-mean-square errors of calibration of 0.261% and 0.046%, respectively. The results indicate that the FT-NIR spectroscopy yields good predictions of the SSCmore » and also showed the feasibility of using it to predict the VA of apples.« less

Analysis of the structural organization and thermal stability of two spermadhesins. Calorimetric, circular dichroic and Fourier-transform infrared spectroscopic studies.

PubMed

Menéndez, M; Gasset, M; Laynez, J; López-Zumel, C; Usobiaga, P; Töpfer-Petersen, E; Calvete, J J

1995-12-15

The CUB domain is a widespread 110-amino-acid module found in functionally diverse, often developmentally regulated proteins, for which an antiparallel beta-barrel topology similar to that in immunoglobulin V domains has been predicted. Spermadhesins have been proposed as a subgroup of this protein family built up by a single CUB domain architecture. To test the proposed structural model, we have analyzed the structural organization of two members of the spermadhesin protein family, porcine seminal plasma proteins I/II (PSP-I/PSP-II) heterodimer and bovine acidic seminal fluid protein (aSFP) homodimer, using differential scanning calorimetry, far-ultraviolet circular dichroism and Fourier-transform infrared spectroscopy. Thermal unfolding of PSP-I/PSP-II and aSFP were irreversible and followed a one-step process with transition temperatures (Tm) of 60.5 degrees C and 78.6 degrees C, respectively. The calorimetric enthalpy changes (delta Hcat) of thermal denaturation were 439 kJ/mol for PSP-I/PSP-II and 660 kJ/mol for aSFP dimer. Analysis of the calorimetric curves of PSP-I/PSP-II showed that the entire dimer constituted the cooperative unfolding unit. Fourier-transform infrared spectroscopy and deconvolution of circular dichroic spectra using a convex constraint analysis indicated that beta-structure and turns are the major structural element of both PSP-I/PSP-II (53% of beta-sheet, 21% of turns) and aSFP (44% of beta-sheet, 36% of turns), and that the porcine and the bovine proteins contain little, if any, alpha-helical structure. Taken together, our results indicate that the porcine and the bovine spermadhesin molecules are probably all-beta-structure proteins, and would support a beta-barrel topology like that predicted for the CUB domain. Other beta-structure folds, such as the Greek-key pattern characteristic of many carbohydrate-binding protein domains cannot be eliminated. Finally, the same combination of biophysical techniques was used to characterize the

Rapid Isolation of Phenol Degrading Bacteria by Fourier Transform Infrared (FTIR) Spectroscopy.

PubMed

Li, Fei; Song, Wen-jun; Wei, Ji-ping; Wang, Su-ying; Liu, Chong-ji

2015-05-01

Phenol is an important chemical engineering material and ubiquitous in industry wastewater, its existence has become a thorny issue in many developed and developing country. More and more stringent standards for effluent all over the world with human realizing the toxicity of phenol have been announced. Many advanced biological methods are applied to industrial wastewater treatment with low cost, high efficiency and no secondary pollution, but the screening of function microorganisms is certain cumbersome process. In our study a rapid procedure devised for screening bacteria on solid medium can degrade phenol coupled with attenuated total reflection fourier transform infrared (ATR-FTIR) which is a detection method has the characteristics of efficient, fast, high fingerprint were used. Principal component analysis (PCA) is a method in common use to extract fingerprint peaks effectively, it couples with partial least squares (PLS) statistical method could establish a credible model. The model we created using PCA-PLS can reach 99. 5% of coefficient determination and validation data get 99. 4%, which shows the promising fitness and forecasting of the model. The high fitting model is used for predicting the concentration of phenol at solid medium where the bacteria were grown. The highly consistent result of two screening methods, solid cultural with ATR-FTIR detected and traditional liquid cultural detected by GC methods, suggests the former can rapid isolate the bacteria which can degrade substrates as well as traditional cumbersome liquid cultural method. Many hazardous substrates widely existed in industry wastewater, most of them has specialize fingerprint peaks detected by ATR-FTIR, thereby this detected method could be used as a rapid detection for isolation of functional microorganisms those can degrade many other toxic substrates.

Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy.

PubMed

Qu, Lei; Chen, Jian-Bo; Zhang, Gui-Jun; Sun, Su-Qin; Zheng, Jing

2017-03-05

As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p=0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR. Copyright © 2016 Elsevier B.V. All rights reserved.

Study of a chemically amplified resist for X-ray lithography by Fourier transform infrared spectroscopy.

PubMed

Tan, T L; Wong, D; Lee, P; Rawat, R S; Patran, A

2004-11-01

Future applications of microelectromechanical systems (MEMS) require lithographic performance of very high aspect ratio. Chemically amplified resists (CARs) such as the negative tone commercial SU-8 provide critical advantages in sensitivity, resolution, and process efficiency in deep ultraviolet, electron-beam, and X-ray lithographies (XRLs), which result in a very high aspect ratio. In this investigation, an SU-8 resist was characterized and optimized for X-ray lithographic applications by studying the cross-linking process of the resist under different conditions of resist thickness and X-ray exposure dose. The exposure dose of soft X-ray (SXR) irradiation at the average weighted wavelength of 1.20 nm from a plasma focus device ranges from 100 to 1600 mJ/cm(2) on the resist surface. Resist thickness varies from 3.5 to 15 mum. The cross-linking process of the resist during post-exposure bake (PEB) was accurately monitored using Fourier transform infrared (FT-IR) spectroscopy. The infrared absorption peaks at 862, 914, 972, and 1128 cm(-1) in the spectrum of the SU-8 resist were found to be useful indicators for the completion of cross-linking in the resist. Results of the experiments showed that the cross-linking of SU-8 was optimized at the exposure dose of 800 mJ/cm(2) for resist thicknesses of 3.5, 9.5, and 15 microm. PEB temperature was set at 95 degrees C and time at 3 min. The resist thickness was measured using interference patterns in the FT-IR spectra of the resist. Test structures with an aspect ratio 3:1 on 10 microm thick SU-8 resist film were obtained using scanning electron microscopy (SEM).

Fourier transform-infrared spectroscopy as a diagnostic tool for mosquito coil smoke inhalation toxicity in Swiss Albino mice

NASA Astrophysics Data System (ADS)

Anusha, Chidambaram; Sankar, Renu; Varunkumar, Krishnamoorthy; Sivasindhuja, Gnanasambantham; Ravikumar, Vilwanathan

2017-12-01

The goal of this study is to establish Fourier transform-infrared (FTIR) spectroscopy as a diagnostic tool for allethrin-based mosquito coil smoke inhalation induced toxicity in mice. Primarily, we confirmed mosquito coil smoke inhalation toxicity in mice via reduced the body, organ weight and major vital organ tissue morphological structure changes. Furthermore, FTIR spectra was collected from control and mosquito coil smoke inhalation (8 h per day for 30 days) mice various tissues like liver, kidney, lung, heart and brain, to investigate the functional groups and their corresponding biochemical content variations. The FTIR spectra result shown major bio macromolecules such as protein and lipid functional peaks were shifted (decreased) in the mosquito coil smoke inhalation group as compared to control. The drastic peak shift was noticed in the liver, kidney followed by lung and brain. It is therefore concluded that the FTIR spectroscopy can be a successful detection tool in mosquito coil smoke inhalation toxicity.

Differentiation of Body Fluid Stains on Fabrics Using External Reflection Fourier Transform Infrared Spectroscopy (FT-IR) and Chemometrics.

PubMed

Zapata, Félix; de la Ossa, Ma Ángeles Fernández; García-Ruiz, Carmen

2016-04-01

Body fluids are evidence of great forensic interest due to the DNA extracted from them, which allows genetic identification of people. This study focuses on the discrimination among semen, vaginal fluid, and urine stains (main fluids in sexual crimes) placed on different colored cotton fabrics by external reflection Fourier transform infrared spectroscopy (FT-IR) combined with chemometrics. Semen-vaginal fluid mixtures and potential false positive substances commonly found in daily life such as soaps, milk, juices, and lotions were also studied. Results demonstrated that the IR spectral signature obtained for each body fluid allowed its identification and the correct classification of unknown stains by means of principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA). Interestingly, results proved that these IR spectra did not show any bands due to the color of the fabric and no substance of those present in daily life which were analyzed, provided a false positive. © The Author(s) 2016.

Quantitative evaluation of multiple adulterants in roasted coffee by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and chemometrics.

PubMed

Reis, Nádia; Franca, Adriana S; Oliveira, Leandro S

2013-10-15

The current study presents an application of Diffuse Reflectance Infrared Fourier Transform Spectroscopy for detection and quantification of fraudulent addition of commonly employed adulterants (spent coffee grounds, coffee husks, roasted corn and roasted barley) to roasted and ground coffee. Roasted coffee samples were intentionally blended with the adulterants (pure and mixed), with total adulteration levels ranging from 1% to 66% w/w. Partial Least Squares Regression (PLS) was used to relate the processed spectra to the mass fraction of adulterants and the model obtained provided reliable predictions of adulterations at levels as low as 1% w/w. A robust methodology was implemented that included the detection of outliers. High correlation coefficients (0.99 for calibration; 0.98 for validation) coupled with low degrees of error (1.23% for calibration; 2.67% for validation) confirmed that DRIFTS can be a valuable analytical tool for detection and quantification of adulteration in ground, roasted coffee. Copyright © 2013 Elsevier B.V. All rights reserved.

Fourier Analysis and Structure Determination: Part I: Fourier Transforms.

ERIC Educational Resources Information Center

Chesick, John P.

1989-01-01

Provides a brief introduction with some definitions and properties of Fourier transforms. Shows relations, ways of understanding the mathematics, and applications. Notes proofs are not included but references are given. First of three part series. (MVL)

Maskelynite formation via solid-state transformation: Evidence of infrared and x-ray anisotropy

DOE PAGES

Jaret, Steven J.; Ehm, Lars; Woerner, William R.; ...

2015-03-24

We present optical microscopy, micro-Raman spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, high-energy X-ray total scattering experiments, and micro-Fourier transform infrared (micro-FTIR) spectroscopy on shocked labradorite from the Lonar Crater, India. We show that maskelynite of shock class 2 is structurally more similar to fused glass than to crystalline plagioclase. However, there are slight but significant differences – preservation of original pre-impact igneous zoning, anisotropy at Infrared wavelengths, X-ray anisotropy, and preservation of some intermediate range order – which are all consistent with a solid-state transformation formation of maskelynite.

Gas sensing properties and in situ diffuse reflectance infrared Fourier transform spectroscopy study of trichloroethylene adsorption and reactions on SnO2 films

NASA Astrophysics Data System (ADS)

Zhang, Zhenxin; Huang, Kaijin; Yuan, Fangli; Xie, Changsheng

2014-05-01

The detection of trichloroethylene has attracted much attention because it has an important effect on human health. The sensitivity of the SnO2 flat-type coplanar gas sensor arrays to 100 ppm trichloroethylene in air was investigated. The adsorption and surface reactions of trichloroethylene were investigated at 100-200 °C by in-situ diffuse reflection Fourier transform infrared spectroscopy (DIRFTS) on SnO2 films. Molecularly adsorbed trichloroethylene, dichloroacetyl chloride (DCAC), phosgene, HCl, CO, H2O, CHCl3, Cl2 and CO2 surface species are formed during trichloroethylene adsorption at 100-200 °C. A possible mechanism of the reaction process is discussed.

Fourier transform infrared spectroscopy provides an evidence of papain denaturation and aggregation during cold storage.

PubMed

Rašković, Brankica; Popović, Milica; Ostojić, Sanja; Anđelković, Boban; Tešević, Vele; Polović, Natalija

2015-01-01

Papain is a cysteine protease with wide substrate specificity and many applications. Despite its widespread applications, cold stability of papain has never been studied. Here, we used differential spectroscopy to monitor thermal denaturation process. Papain was the most stabile from 45 °C to 60 °C with ΔG°321 of 13.9±0.3 kJ/mol and Tm value of 84±1 °C. After cold storage, papain lost parts of its native secondary structures elements which gave an increase of 40% of intermolecular β-sheet content (band maximum detected at frequency of 1621 cm(-1) in Fourier transform infrared (FT-IR) spectrum) indicating the presence of secondary structures necessary for aggregation. The presence of protein aggregates after cold storage was also proven by analytical size exclusion chromatography. After six freeze-thaw cycles around 75% of starting enzyme activity of papain was lost due to cold denaturation and aggregation of unfolded protein. Autoproteolysis of papain did not cause significant loss of the protein activity. Upon the cold storage, papain underwent structural rearrangements and aggregation that correspond to other cold denatured proteins, rather than autoproteolysis which could have the commercial importance for the growing polypeptide based industry. Copyright © 2015 Elsevier B.V. All rights reserved.

Quality assessment of pharmaceutical tablet samples using Fourier transform near infrared spectroscopy and multivariate analysis

NASA Astrophysics Data System (ADS)

Kandpal, Lalit Mohan; Tewari, Jagdish; Gopinathan, Nishanth; Stolee, Jessica; Strong, Rick; Boulas, Pierre; Cho, Byoung-Kwan

2017-09-01

Determination of the content uniformity, assessed by the amount of an active pharmaceutical ingredient (API), and hardness of pharmaceutical materials is important for achieving a high-quality formulation and to ensure the intended therapeutic effects of the end-product. In this work, Fourier transform near infrared (FT-NIR) spectroscopy was used to determine the content uniformity and hardness of a pharmaceutical mini-tablet and standard tablet samples. Tablet samples were scanned using an FT-NIR instrument and tablet spectra were collected at wavelengths of 1000-2500 nm. Furthermore, multivariate analysis was applied to extract the relationship between the FT-NIR spectra and the measured parameters. The results of FT-NIR spectroscopy for API and hardness prediction were as precise as the reference high-performance liquid chromatography and mechanical hardness tests. For the prediction of mini-tablet API content, the highest coefficient of determination for the prediction (R2p) was found to be 0.99 with a standard error of prediction (SEP) of 0.72 mg. Moreover, the standard tablet hardness measurement had a R2p value of 0.91 with an SEP of 0.25 kg. These results suggest that FT-NIR spectroscopy is an alternative and accurate nondestructive measurement tool for the detection of the chemical and physical properties of pharmaceutical samples.

Fourier transform infrared spectroscopy of DNA from Borrelia burgdorferi sensu lato and Ixodes ricinus ticks

NASA Astrophysics Data System (ADS)

Muntean, Cristina M.; Stefan, Razvan; Bindea, Maria; Cozma, Vasile

2013-06-01

In this work we present a method for detection of motile and immotile Borrelia burgdorferi genomic DNA, in relation with infectious and noninfectious spirochetes. An FT-IR study of DNA isolated from B. burgdorferi sensu lato strains and from positive and negative Ixodes ricinus ticks, respectively, is reported. Motile bacterial cells from the species B. burgdorferi sensu stricto, Borrelia garinii and Borrelia afzelii were of interest. Also, FT-IR absorbance spectra of DNA from immotile spirochetes of B. burgdorferi sensu stricto, in the absence and presence of different antibiotics (doxycycline, erythromycin, gentamicin, penicillin V or phenoxymethylpenicillin, tetracycline, respectively) were investigated. FT-IR spectra, providing a high molecular structural information, have been analyzed in the wavenumber range 400-1800 cm-1. FT-IR signatures, spectroscopic band assignments and structural interpretations of these DNAs are reported. Spectral differences between FT-IR absorbances of DNAs from motile bacterial cells and immotile spirochetes, respectively, have been found. Particularly, alterations of the sugar-phosphate B-form chain in the case of DNA from Borrelia immotile cells, as compared with DNA from B. burgdorferi sensu lato motile cells have been observed. Based on this work, specific B. burgdorferi sensu lato and I. ricinus DNA-ligand interactions, respectively, might be further investigated using Fourier transform infrared spectroscopy.

Structural effects of simvastatin on liver rate tissue: Fourier transform infrared and Raman microspectroscopic studies

NASA Astrophysics Data System (ADS)

Garip, Sebnem; Bayari, Sevgi Haman; Severcan, Mete; Abbas, Sherif; Lednev, Igor K.; Severcan, Feride

2016-02-01

Simvastatin is one of the most frequently prescribed statins because of its efficacy in the treatment of hypercholesterolemia, reducing cardiovascular risk and related mortality. Determination of its side effects on different tissues is mandatory to improve safe use of this drug. In the present study, the effects of simvastatin on molecular composition and structure of healthy rat livers were investigated by Fourier transform infrared and Raman imaging. Simvastatin-treated groups received 50 mg/kg/day simvastatin for 30 days. The ratio of the area and/or intensity of the bands assigned to lipids, proteins, and nucleic acids were calculated to get information about the drug-induced changes in tissues. Loss of unsaturation, accumulation of end products of lipid peroxidation, and alterations in lipid-to-protein ratio were observed in the treated group. Protein secondary structure studies revealed significant decrease in α-helix and increase in random coil, while native β-sheet decreases and aggregated β-sheet increases in treated group implying simvastatin-induced protein denaturation. Moreover, groups were successfully discriminated using principal component analysis. Consequently, high-dose simvastatin treatment induces hepatic lipid peroxidation and changes in molecular content and protein secondary structure, implying the risk of liver disorders in drug therapy.

Verification of Ganoderma (lingzhi) commercial products by Fourier Transform infrared spectroscopy and two-dimensional IR correlation spectroscopy

NASA Astrophysics Data System (ADS)

Choong, Yew-Keong; Sun, Su-Qin; Zhou, Qun; Lan, Jin; Lee, Han-Lim; Chen, Xiang-Dong

2014-07-01

Ganoderma commercial products are typically based on two sources, raw material (powder form and/or spores) and extract (water and/or solvent). This study compared three types of Ganoderma commercial products using 1 Dimensional Fourier Transform infrared and second derivative spectroscopy. The analyzed spectra of Ganoderma raw material products were compared with spectra of cultivated Ganoderma raw material powder from different mushroom farms in Malaysia. The Ganoderma extract product was also compared with three types of cultivated Ganoderma extracts. Other medicinal Ganoderma contents in commercial extract product that included glucan and triterpenoid were analyzed by using FTIR and 2DIR. The results showed that water extract of cultivated Ganoderma possessed comparable spectra with that of Ganoderma product water extract. By comparing the content of Ganoderma commercial products using FTIR and 2DIR, product content profiles could be detected. In addition, the geographical origin of the Ganoderma products could be verified by comparing their spectra with Ganoderma products from known areas. This study demonstrated the possibility of developing verification tool to validate the purity of commercial medicinal herbal and mushroom products.

Detection and quantification of anionic detergent (lissapol) in milk using attenuated total reflectance-Fourier Transform Infrared spectroscopy.

PubMed

Jaiswal, Pranita; Jha, Shyam Narayan; Kaur, Jaspreet; Borah, Anjan

2017-04-15

Adulteration of milk to gain economic benefit is rampant. Addition of detergent in milk can cause food poisoning and other complications. Fourier Transform Infrared spectroscopy was evaluated as rapid method for detection and quantification of anionic detergent (lissapol) in milk. Spectra of pure and artificially adulterated milk (0.2-2.0% detergent) samples revealed clear differences in wavenumber range of 4000-500cm -1 . The apparent variations observed in region of 1600-995 and 3040-2851cm -1 corresponds to absorption frequencies of common constituents of detergent (linear alkyl benzene sulphonate). Principal component analysis showed discrete clustering of samples based on level of detergent (p⩽0.05) in milk. The classification efficiency for test samples were recorded to be >93% using Soft Independent Modelling of Class Analogy approach. Maximum coefficient of determination for prediction of detergent was 0.94 for calibration and 0.93 for validation, using partial least square regression in wavenumber combination of 1086-1056, 1343-1333, 1507-1456, 3040-2851cm -1 . Copyright © 2016 Elsevier Ltd. All rights reserved.

[On-line monitoring of biomass in 1,3-propanediol fermentation by Fourier-transformed near-infrared spectra analysis].

PubMed

Wang, Lu; Liu, Tao; Chen, Yang; Sun, Yaqin; Xiu, Zhilong

2017-01-25

Biomass is an important parameter reflecting the fermentation dynamics. Real-time monitoring of biomass can be used to control and optimize a fermentation process. To overcome the deficiencies of measurement delay and manual errors from offline measurement, we designed an experimental platform for online monitoring the biomass during a 1,3-propanediol fermentation process, based on using the fourier-transformed near-infrared (FT-NIR) spectra analysis. By pre-processing the real-time sampled spectra and analyzing the sensitive spectra bands, a partial least-squares algorithm was proposed to establish a dynamic prediction model for the biomass change during a 1,3-propanediol fermentation process. The fermentation processes with substrate glycerol concentrations of 60 g/L and 40 g/L were used as the external validation experiments. The root mean square error of prediction (RMSEP) obtained by analyzing experimental data was 0.341 6 and 0.274 3, respectively. These results showed that the established model gave good prediction and could be effectively used for on-line monitoring the biomass during a 1,3-propanediol fermentation process.

A discrete Fourier transform for virtual memory machines

NASA Technical Reports Server (NTRS)

Galant, David C.

1992-01-01

An algebraic theory of the Discrete Fourier Transform is developed in great detail. Examination of the details of the theory leads to a computationally efficient fast Fourier transform for the use on computers with virtual memory. Such an algorithm is of great use on modern desktop machines. A FORTRAN coded version of the algorithm is given for the case when the sequence of numbers to be transformed is a power of two.

Application of Fourier transform infrared spectroscopy with chemometrics on postmortem interval estimation based on pericardial fluids.

PubMed

Zhang, Ji; Li, Bing; Wang, Qi; Wei, Xin; Feng, Weibo; Chen, Yijiu; Huang, Ping; Wang, Zhenyuan

2017-12-21

Postmortem interval (PMI) evaluation remains a challenge in the forensic community due to the lack of efficient methods. Studies have focused on chemical analysis of biofluids for PMI estimation; however, no reports using spectroscopic methods in pericardial fluid (PF) are available. In this study, Fourier transform infrared (FTIR) spectroscopy with attenuated total reflectance (ATR) accessory was applied to collect comprehensive biochemical information from rabbit PF at different PMIs. The PMI-dependent spectral signature was determined by two-dimensional (2D) correlation analysis. The partial least square (PLS) and nu-support vector machine (nu-SVM) models were then established based on the acquired spectral dataset. Spectral variables associated with amide I, amide II, COO - , C-H bending, and C-O or C-OH vibrations arising from proteins, polypeptides, amino acids and carbohydrates, respectively, were susceptible to PMI in 2D correlation analysis. Moreover, the nu-SVM model appeared to achieve a more satisfactory prediction than the PLS model in calibration; the reliability of both models was determined in an external validation set. The study shows the possibility of application of ATR-FTIR methods in postmortem interval estimation using PF samples.

Distinction of three wood species by Fourier transform infrared spectroscopy and two-dimensional correlation IR spectroscopy

NASA Astrophysics Data System (ADS)

Huang, Anmin; Zhou, Qun; Liu, Junliang; Fei, Benhua; Sun, Suqin

2008-07-01

Dalbergia odorifera T. Chen, Pterocarpus santalinus L.F. and Pterocarpus soyauxii are three kinds of the most valuable wood species, which are hard to distinguish. In this paper, differentiation of D. odorifera, P. santalinus and P. soyauxii was carried out by using Fourier transform infrared spectroscopy (FT-IR), second derivative IR spectra and two-dimensional correlation infrared (2D-IR) spectroscopy. The three woods have their characteristic peaks in conventional IR spectra. For example, D. odorifera has obvious absorption peaks at 1640 and 1612 cm -1; P. santalinus has only one peak at 1614 cm -1; and P. soyauxii has one peak at 1619 cm -1 and one shoulder peak at 1597 cm -1. To enhance spectrum resolution and amplify the differences between the IR spectra of different woods, the second derivative technology was adopted to examine the three wood samples. More differences could be observed in the region of 800-1700 cm -1. Then, the thermal perturbation is applied to distinguish different wood samples in an easier way, because of the spectral resolution being enhanced by the 2D correlation spectroscopy. In the region of 1300-1800 cm -1, D. odorifera has five auto-peaks at 1518, 1575, 1594, 1620 and 1667 cm -1; P. santalinus has four auto-peaks at 1469, 1518, 1627 and 1639 cm -1 and P. soyauxii has only two auto-peaks at 1627 and 1639 cm -1. It is proved that the 2D correlation IR spectroscopy can be a new method to distinguish D. odorifera, P. santalinus and P. soyauxii.

The application of Fourier transform infrared microspectroscopy for the study of diseased central nervous system tissue.

PubMed

Caine, Sally; Heraud, Philip; Tobin, Mark J; McNaughton, Donald; Bernard, Claude C A

2012-02-15

In the last two decades the field of infrared spectroscopy has seen enormous advances in both instrumentation and the development of bioinformatic methods for spectral analysis, allowing the examination of a large variety of healthy and diseased samples, including biological fluids, isolated cells, whole tissues, and tissue sections. The non-destructive nature of the technique, together with the ability to directly probe biochemical changes without the addition of stains or contrast agents, enables a range of complementary analyses. This review focuses on the application of Fourier transform infrared (FTIR) microspectroscopy to analyse central nervous system tissues, with the aim of understanding the biochemical and structural changes associated with neurodegenerative diseases such as Alzheimer's disease, Parkinson's disease, transmissible spongiform encephalopathies, multiple sclerosis, as well as brain tumours. Modern biospectroscopic methods that combine FTIR microspectroscopy with bioinformatic analysis constitute a powerful new methodology that can discriminate pathology from normal healthy tissue in a rapid, unbiased fashion, with high sensitivity and specificity. Notably, the ability to detect protein secondary structural changes associated with Alzheimer's plaques, neurons in Parkinson's disease, and in some spectra from meningioma, as well as in the animal models of Alzheimer's disease, transmissible spongiform encephalopathies, and multiple sclerosis, illustrates the power of this technology. The capacity to offer insight into the biochemical and structural changes underpinning aetio-pathogenesis of diseases in tissues provides both a platform to investigate early pathologies occurring in a variety of experimentally induced and naturally occurring central nervous system diseases, and the potential to evaluate new therapeutic approaches. Copyright © 2011 Elsevier Inc. All rights reserved.

The Micro Fourier Transform Interferometer (muFTIR) - A New Field Spectrometer for Acquisition of Infrared Data of Natural Surfaces

NASA Technical Reports Server (NTRS)

Hook, Simon J.

1995-01-01

A lightweight, rugged, high-spectral-resolution interferometer has been built by Designs and Prototypes based on a set of specifications provided by the Jet Propulsion Laboratory and Dr. J. W. Salisbury (Johns Hopkins University). The instrument, the micro Fourier Transform Interferometer (mFTIR), permits the acquisition of infrared spectra of natural surfaces. Such data can be used to validate low and high spectral resolution data acquired remotely from aircraft and spacecraft in the 3-5 mm and 8-14 mm atmospheric window. The instrument has a spectral resolutions of 6 wavenumbers, weighs 16 kg including batteries and computer, and can be operated easily by two people in the field. Laboratory analysis indicates the instrument is spectrally calibrated to better than 1 wavenumber and the radiometric accuracy is <0.5 K if the radiances from the blackbodies used for calibration bracket the radiance from the sample.

A Fourier transform spectrometer for visible and near ultra-violet measurements of atmospheric absorption

NASA Technical Reports Server (NTRS)

Parsons, C. L.; Gerlach, J. C.; Whitehurst, M.

1982-01-01

The development of a prototype, ground-based, Sun-pointed Michelson interferometric spectrometer is described. Its intended use is to measure the atmospheric amount of various gases which absorb in the near-infrared, visible, and near-ultraviolet portions of the electromagnetic spectrum. Preliminary spectra which contain the alpha, 0.8 micrometer, and rho sigma tau water vapor absorption bands in the near-infrared are presented to indicate the present capability of the system. Ultimately, the spectrometer can be used to explore the feasible applications of Fourier transform spectroscopy in the ultraviolet where grating spectrometers were used exclusively.

Fourier transform infrared spectral evidences for protein conformational changes in immature cataractous human lens capsules accelerated by myopia and/or systemic hypertension

NASA Astrophysics Data System (ADS)

Lin, Shan-Yang; Lee, Shui-Mei; Li, Mei-Jane; Liang, Run-Chu

1997-08-01

The possible changes in protein structures of the cataractous human lens capsules of the immature patients with myopia and/or systemic hypertension have been investigated using Fourier transform infrared (FT-IR) microspectroscopy. Second-derivative and deconvolution methods have been applied to obtain the position of the overlapping components of the amide I band and assign them to different secondary structures. Changes in the protein secondary structure and composition of amide I band were estimated quantitatively from Fourier self-deconvolution and curve fitting algorithms. The results indicate that myopia and/or systemic hypertension were found to significantly modify the protein secondary structure of the cataractous human lens capsules to increase the β-type structure and random coil and decrease the α-helix structure. Myopia-induced conformational change in triple helix structure was more pronounced. In conclusion, myopia and/or systemic hypertension seem to modify the conformation of the protein structures in cataractous human lens capsule to change ionic permeation through lens capsule to accelerate the cataract formation of senile patients.

The application and improvement of Fourier transform spectrometer experiment

NASA Astrophysics Data System (ADS)

Liu, Zhi-min; Gao, En-duo; Zhou, Feng-qi; Wang, Lan-lan; Feng, Xiao-hua; Qi, Jin-quan; Ji, Cheng; Wang, Luning

2017-08-01

According to teaching and experimental requirements of Optoelectronic information science and Engineering, in order to consolidate theoretical knowledge and improve the students practical ability, the Fourier transform spectrometer ( FTS) experiment, its design, application and improvement are discussed in this paper. The measurement principle and instrument structure of Fourier transform spectrometer are introduced, and the spectrums of several common Laser devices are measured. Based on the analysis of spectrum and test, several possible improvement methods are proposed. It also helps students to understand the application of Fourier transform in physics.

A Comparison of Optical versus Hardware Fourier Transforms.

DTIC Science & Technology

1983-10-31

AD- R136 223 A COMPRISON’OF OPTICAL ERSUS HARDWARE FOURIER i/i.TRANSFORMS(U) VIRGINIA POLYTECHNIC INST AND STATE UNIV BLACKSBURG DEPT OF PHYSICS S P...transform and its inverse filtered Fourier transform obtained with the Digital Image Processing (DIP) hardware system located at the School of Aerospace...transparencies, and provided to us by Dr. Ralph G. Allen, Director of the Laser Effects Branch (Division of Radiation Sciences). The DIP system consisted of: an

A Primer of Fourier Transform NMR.

ERIC Educational Resources Information Center

Macomber, Roger S.

1985-01-01

Fourier transform nuclear magnetic resonance (NMR) is a new spectroscopic technique that is often omitted from undergraduate curricula because of lack of instructional materials. Therefore, information is provided to introduce students to the technique of data collection and transformation into the frequency domain. (JN)

Geometric Representations for Discrete Fourier Transforms

NASA Technical Reports Server (NTRS)

Cambell, C. W.

1986-01-01

Simple geometric representations show symmetry and periodicity of discrete Fourier transforms (DFT's). Help in visualizing requirements for storing and manipulating transform value in computations. Representations useful in any number of dimensions, but particularly in one-, two-, and three-dimensional cases often encountered in practice.

High-resolution Fourier transform spectroscopy of the Meinel system of OH

NASA Technical Reports Server (NTRS)

Abrams, Mark C.; Davis, Sumner P.; Rao, M. L. P.; Engleman, Rolf, Jr.; Brault, James W.

1994-01-01

The infrared spectrum of the hydroxyl radical OH, between 1850 and 9000/cm has been measured with a Fourier transform spectrometer. The source, a hydrogen-ozone diffusion flame, was designed to study the excitation of rotation-vibration levels of the OH Meinel bands under conditions similar to those in the upper atmosphere which produce the nighttime OH airglow emission. Twenty-three bands were observed: nine bands in the Delta upsilon = 1 sequence, nine bands in the Delta upsilon = 2 sequence, and five bands in the Delta upsilon = 3 sequence. A global nonlinear least-squares fit of 1696 lines yielded molecular parameters with a standard deviation of 0.003/cm. Term values are computed, and transition frequencies in the Delta upsilon = 3, 4, 5, 6 sequences in the near-infrared are predicted.

A Fourier Transform Infrared Spectroscopy Analysis of Carious Dentin from Transparent Zone to Normal Zone

PubMed Central

Liu, Y.; Yao, X.; Liu, Y.W.; Wang, Y.

2015-01-01

It is well known that caries invasion leads to the differentiation of dentin into zones with altered composition, collagen integrity and mineral identity. However, understanding of these changes from the fundamental perspective of molecular structure has been lacking so far. In light of this, the present work aims to utilize Fourier transform infrared spectroscopy (FTIR) to directly extract molecular information regarding collagen's and hydroxyapatite's structural changes as dentin transitions from the transparent zone (TZ) into the normal zone (NZ). Unembedded ultrathin dentin films were sectioned from carious teeth, and an FTIR imaging system was used to obtain spatially resolved FTIR spectra. According to the mineral-to-matrix ratio image generated from large-area low-spectral-resolution scan, the TZ, the NZ and the intermediate subtransparent zone (STZ) were identified. High-spectral-resolution spectra were taken from each zone and subsequently examined with regard to mineral content, carbonate distribution, collagen denaturation and carbonate substitution patterns. The integrity of collagen's triple helical structure was also evaluated based on spectra collected from demineralized dentin films of selected teeth. The results support the argument that STZ is the real sclerotic layer, and they corroborate the established knowledge that collagen in TZ is hardly altered and therefore should be reserved for reparative purposes. Moreover, the close resemblance between the STZ and the NZ in terms of carbonate content, and that between the STZ and the TZ in terms of being A-type carbonate-rich, suggest that the mineral that initially occludes dentin tubules is hydroxyapatite newly generated from odontoblastic activities, which is then transformed into whitlockite in the demineralization/remineralization process as caries progresses. PMID:24556607

A Fourier transform infrared spectroscopy analysis of carious dentin from transparent zone to normal zone.

PubMed

Liu, Y; Yao, X; Liu, Y W; Wang, Y

2014-01-01

It is well known that caries invasion leads to the differentiation of dentin into zones with altered composition, collagen integrity and mineral identity. However, understanding of these changes from the fundamental perspective of molecular structure has been lacking so far. In light of this, the present work aims to utilize Fourier transform infrared spectroscopy (FTIR) to directly extract molecular information regarding collagen's and hydroxyapatite's structural changes as dentin transitions from the transparent zone (TZ) into the normal zone (NZ). Unembedded ultrathin dentin films were sectioned from carious teeth, and an FTIR imaging system was used to obtain spatially resolved FTIR spectra. According to the mineral-to-matrix ratio image generated from large-area low-spectral-resolution scan, the TZ, the NZ and the intermediate subtransparent zone (STZ) were identified. High-spectral-resolution spectra were taken from each zone and subsequently examined with regard to mineral content, carbonate distribution, collagen denaturation and carbonate substitution patterns. The integrity of collagen's triple helical structure was also evaluated based on spectra collected from demineralized dentin films of selected teeth. The results support the argument that STZ is the real sclerotic layer, and they corroborate the established knowledge that collagen in TZ is hardly altered and therefore should be reserved for reparative purposes. Moreover, the close resemblance between the STZ and the NZ in terms of carbonate content, and that between the STZ and the TZ in terms of being A-type carbonate-rich, suggest that the mineral that initially occludes dentin tubules is hydroxyapatite newly generated from odontoblastic activities, which is then transformed into whitlockite in the demineralization/remineralization process as caries progresses. © 2014 S. Karger AG, Basel.

Understanding Microbe-Mineral Reactions Using Synchrotron Radiation Fourier Transform Infrared Spectromicroscopy

NASA Astrophysics Data System (ADS)

Kauffman, M. E.; Lehman, R. M.; Martin, M. C.; Bauer, W. F.

2002-12-01

Microorganisms are able to alter their surrounding microenvironment to an extent not predicted by the thermodynamics of the macro-environment chemistry. Microbially induced environmental alterations include weathering, biomineralization and mobilization or immobilization of authegenic metals or contaminants. Microbial colonization of surfaces, followed by biofilm formation, are the first steps in alteration processes. With the exception of iron oxides and iron-reducing bacteria, the fundamentals of how microbes react with various mineral surfaces is not well understood. Synchrotron radiation Fourier transform infrared spectromicroscopy (SR-FTIR) is a non-destructive analytical technique capable of probing, in situ, the microbe-mineral interface. The SR-FTIR beamline 1.4.3, at the Advanced Light Source, Berkeley, CA, has a diffraction-limited spatial resolution of 10 um, is 2-3 orders of magnitude brighter than traditional FTIR, and is not harmful to living samples. Aliquots of pure cultures of Burkholderia cepacia G4 were deposited on four individual mineral surfaces (plagioclase, ilmenite, augite and olivine) and spectra were collected within 20-40 min. Reference spectra were collected from the same pure cultures deposited on gold-coated glass slides. Additionally, reference spectra were collected of commercially available biomolecules deposited on the four individual mineral specimens. The spectra of the bacterial cells on gold and the spectra of the separate biomolecules contained all the relevant peaks documented in the literature. However, the spectra collected from the microbe-mineral interfaces were markedly different from the reference spectra and varied between the four mineral surfaces. Bacterial cells in contact with plagioclase exhibited predominantly absorption bands associated with phosphate groups, while the spectra of olivine and bacterial cells were limited to absorption bands associated with bacterial proteins. Spectra of the same bacterial cells

Spectra Transfer Between a Fourier Transform Near-Infrared Laboratory and a Miniaturized Handheld Near-Infrared Spectrometer.

PubMed

Hoffmann, Uwe; Pfeifer, Frank; Hsuing, Chang; Siesler, Heinz W

2016-05-01

The aim of this contribution is to demonstrate the transfer of spectra that have been measured on two different laboratory Fourier transform near-infrared (FT-NIR) spectrometers to the format of a handheld instrument by measuring only a few samples with both spectrometer types. Thus, despite the extreme differences in spectral range and resolution, spectral data sets that have been collected and quantitative as well as qualitative calibrations that have been developed thereof, respectively, over a long period on a laboratory instrument can be conveniently transferred to the handheld system. Thus, the necessity to prepare completely new calibration samples and the effort required to develop calibration models when changing hardware platforms is minimized. The enabling procedure is based on piecewise direct standardization (PDS) and will be described for the data sets of a quantitative and a qualitative application case study. For this purpose the spectra measured on the FT-NIR laboratory spectrometers were used as "master" data and transferred to the "target" format of the handheld instrument. The quantitative test study refers to transmission spectra of three-component liquid solvent mixtures whereas the qualitative application example encompasses diffuse reflection spectra of six different current polymers. To prove the performance of the transfer procedure for quantitative applications, partial least squares (PLS-1) calibrations were developed for the individual components of the solvent mixtures with spectra transferred from the master to the target instrument and the cross-validation parameters were compared with the corresponding parameters obtained for spectra measured on the master and target instruments, respectively. To test the retention of the discrimination ability of the transferred polymer spectra sets principal component analyses (PCAs) were applied exemplarily for three of the six investigated polymers and their identification was demonstrated by

Effect of selective growth media on the differentiation of Salmonella enterica serovars by Fourier-Transform Mid-Infrared Spectroscopy.

PubMed

Baldauf, Nathan A; Rodriguez-Romo, Luis A; Männig, Annegret; Yousef, Ahmed E; Rodriguez-Saona, Luis E

2007-01-01

Salmonella enterica serovars are prevalent foodborne pathogens responsible for high numbers of salmonellosis each year. Complex Fourier-transform infrared (FTIR) spectra offer unique biochemical fingerprints of bacteria with bands due to major cellular components. Growth media effects on discrimination of Salmonella serovars by FTIR spectroscopy were investigated and a novel sample preparation technique was developed. S. enterica strains from six serovars were grown on xylose lysine desoxycholate (XLD), Miller-Mallinson (MM), and plate count (PCA) agar as a control (37 degrees C, 24 h). Isolated colonies were suspended in 50% acetonitrile and centrifuged; the remaining pellet was placed on an AMTIR (attenuated total reflectance) crystal and dried under vacuum. Classification models (Soft Independent Modeling of Class Analogy, SIMCA), generated from derivatized infrared spectra (1300-900 cm-1 or 1200-900 cm-1), successfully discriminated among Salmonella strains with major discrimination from 1000-970 cm-1 associated to stretching modes of O-specific polysaccharide chains of lipopolysaccharides. Sample treatment with acetonitrile enhanced safe handling of the bacteria, removed interfering signals and improved the discriminating ability of SIMCA. All media were able to discriminate the S. enterica strains studied, varying in discriminating peaks and class distances in SIMCA classification. This methodology, with the production of large libraries of pathogenic bacteria, could be applied for the rapid monitoring of bacterial contamination in food with minimal sample manipulation.

Ceramic femoral component fracture in total knee arthroplasty: an analysis using fractography, fourier-transform infrared microscopy, contact radiography and histology.

PubMed

Krueger, Alexander P; Singh, Gurpal; Beil, Frank Timo; Feuerstein, Bernd; Ruether, Wolfgang; Lohmann, Christoph H

2014-05-01

Ceramic components in total knee arthroplasty (TKA) are evolving. We analyze the first case of BIOLOX delta ceramic femoral component fracture. A longitudinal midline fracture in the patellar groove was present, with an intact cement mantle and no bony defects. Fractographic analysis with laser scanning microscopy and white light interferometry showed no evidence of arrest lines, hackles, wake hackles, material flaws, fatigue or crack propagation. Analysis of periprosthetic tissues with Fourier-transform infrared (FT-IR) microscopy, contact radiography, histology, and subsequent digestion and high-speed centrifugation did not show ceramic debris. A macrophage-dominated response was present around polyethylene debris. We conclude that ceramic femoral component failure in this case was related to a traumatic event. Further research is needed to determine the suitability of ceramic components in TKA. Copyright © 2014 Elsevier Inc. All rights reserved.

High Resolution Far Infrared Fourier Transform Spectroscopy of the NH_2 Radical.

NASA Astrophysics Data System (ADS)

Martin-Drumel, M. A.; Pirali, O.; Balcon, D.; Vervloet, M.

2011-06-01

First identified toward Sgr B2, the NH_2 radical has recently been detected in the interstellar medium by the HIFI instrument on board of Herschel. Despite the fact that this radical has not been detected in brown dwarfs and exoplanets yet, it is already included in physical and chemical models of those environments (temperature higher than 2000 K expected in several objects). Its detection in those objects will depend on the existence of a reliable high temperature and high resolution spectroscopic database on the NH_2 radical.The absorption spectrum of NH_2 has been recorded between 15 and 700 Cm-1 at the highest resolution available using the Bruker IFS125HR Fourier transform interferometer connected to the far infrared AILES beamline at SOLEIL (R=0.001 Cm-1). The radical was produced by an electrical discharge (DC) through a continuous flow of NH_3 and He using the White-type discharge cell developped on the beamline (optical path: 24m). Thanks to the brilliance of the synchrotron radiation, more than 700 pure rotational transitions of NH_2 have been identified with high N values (NMax=25) in its fundamental and first excited vibrational modes. By comparison to the previous FT spectroscopic study on that radical in the FIR spectral range, asymmetric splitting as well as fine and hyperfine structure have been resolved for several transitions. E. F. Van Dishoeck, D. J. Jansen, P. Schilke, T. G. Phillips The Astrophysical Journal 416, L83-L86 (1993) C. M. Persson, J. H. Black, J. Cernicharo et al. Astronomy and Astrophysics 521, L45 (2010) K. Lodders and B. Fegley, Jr Icarus 155, 393-424 (2002) I. Morino and K. Kawaguchi Journal of Molecular Spectroscopy 182, 428-438 (1997)

Fast Fourier Transform algorithm design and tradeoffs

NASA Technical Reports Server (NTRS)

Kamin, Ray A., III; Adams, George B., III

1988-01-01

The Fast Fourier Transform (FFT) is a mainstay of certain numerical techniques for solving fluid dynamics problems. The Connection Machine CM-2 is the target for an investigation into the design of multidimensional Single Instruction Stream/Multiple Data (SIMD) parallel FFT algorithms for high performance. Critical algorithm design issues are discussed, necessary machine performance measurements are identified and made, and the performance of the developed FFT programs are measured. Fast Fourier Transform programs are compared to the currently best Cray-2 FFT program.

Influence of spectral resolution, spectral range and signal-to-noise ratio of Fourier transform infra-red spectra on identification of high explosive substances

NASA Astrophysics Data System (ADS)

Banas, Krzysztof; Banas, Agnieszka M.; Heussler, Sascha P.; Breese, Mark B. H.

2018-01-01

In the contemporary spectroscopy there is a trend to record spectra with the highest possible spectral resolution. This is clearly justified if the spectral features in the spectrum are very narrow (for example infra-red spectra of gas samples). However there is a plethora of samples (in the liquid and especially in the solid form) where there is a natural spectral peak broadening due to collisions and proximity predominately. Additionally there is a number of portable devices (spectrometers) with inherently restricted spectral resolution, spectral range or both, which are extremely useful in some field applications (archaeology, agriculture, food industry, cultural heritage, forensic science). In this paper the investigation of the influence of spectral resolution, spectral range and signal-to-noise ratio on the identification of high explosive substances by applying multivariate statistical methods on the Fourier transform infra-red spectral data sets is studied. All mathematical procedures on spectral data for dimension reduction, clustering and validation were implemented within R open source environment.

Miniature, Low-Power, Waveguide Based Infrared Fourier Transform Spectrometer for Spacecraft Remote Sensing

NASA Technical Reports Server (NTRS)

Hewagama, TIlak; Aslam, Shahid; Talabac, Stephen; Allen, John E., Jr.; Annen, John N.; Jennings, Donald E.

2011-01-01

Fourier transform spectrometers have a venerable heritage as flight instruments. However, obtaining an accurate spectrum exacts a penalty in instrument mass and power requirements. Recent advances in a broad class of non-scanning Fourier transform spectrometer (FTS) devices, generally called spatial heterodyne spectrometers, offer distinct advantages as flight optimized systems. We are developing a miniaturized system that employs photonics lightwave circuit principles and functions as an FTS operating in the 7-14 micrometer spectral region. The inteferogram is constructed from an ensemble of Mach-Zehnder interferometers with path length differences calibrated to mimic scan mirror sample positions of a classic Michelson type FTS. One potential long-term application of this technology in low cost planetary missions is the concept of a self-contained sensor system. We are developing a systems architecture concept for wide area in situ and remote monitoring of characteristic properties that are of scientific interest. The system will be based on wavelength- and resolution-independent spectroscopic sensors for studying atmospheric and surface chemistry, physics, and mineralogy. The self-contained sensor network is based on our concept of an Addressable Photonics Cube (APC) which has real-time flexibility and broad science applications. It is envisaged that a spatially distributed autonomous sensor web concept that integrates multiple APCs will be reactive and dynamically driven. The network is designed to respond in an event- or model-driven manner or reconfigured as needed.

Forensic Hair Differentiation Using Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy.

PubMed

Manheim, Jeremy; Doty, Kyle C; McLaughlin, Gregory; Lednev, Igor K

2016-07-01

Hair and fibers are common forms of trace evidence found at crime scenes. The current methodology of microscopic examination of potential hair evidence is absent of statistical measures of performance, and examiner results for identification can be subjective. Here, attenuated total reflection (ATR) Fourier transform-infrared (FT-IR) spectroscopy was used to analyze synthetic fibers and natural hairs of human, cat, and dog origin. Chemometric analysis was used to differentiate hair spectra from the three different species, and to predict unknown hairs to their proper species class, with a high degree of certainty. A species-specific partial least squares discriminant analysis (PLSDA) model was constructed to discriminate human hair from cat and dog hairs. This model was successful in distinguishing between the three classes and, more importantly, all human samples were correctly predicted as human. An external validation resulted in zero false positive and false negative assignments for the human class. From a forensic perspective, this technique would be complementary to microscopic hair examination, and in no way replace it. As such, this methodology is able to provide a statistical measure of confidence to the identification of a sample of human, cat, and dog hair, which was called for in the 2009 National Academy of Sciences report. More importantly, this approach is non-destructive, rapid, can provide reliable results, and requires no sample preparation, making it of ample importance to the field of forensic science. © The Author(s) 2016.

Reducing aberration effect of Fourier transform lens by modifying Fourier spectrum of diffractive optical element in beam shaping optical system.

PubMed

Zhang, Fang; Zhu, Jing; Song, Qiang; Yue, Weirui; Liu, Jingdan; Wang, Jian; Situ, Guohai; Huang, Huijie

2015-10-20

In general, Fourier transform lenses are considered as ideal in the design algorithms of diffractive optical elements (DOEs). However, the inherent aberrations of a real Fourier transform lens disturb the far field pattern. The difference between the generated pattern and the expected design will impact the system performance. Therefore, a method for modifying the Fourier spectrum of DOEs without introducing other optical elements to reduce the aberration effect of the Fourier transform lens is proposed. By applying this method, beam shaping performance is improved markedly for the optical system with a real Fourier transform lens. The experiments carried out with a commercial Fourier transform lens give evidence for this method. The method is capable of reducing the system complexity as well as improving its performance.

Time, Temperature, and Cationic Dependence of Alkali Activation of Slag: Insights from Fourier Transform Infrared Spectroscopy and Spectral Deconvolution.

PubMed

Dakhane, Akash; Madavarapu, Sateesh Babu; Marzke, Robert; Neithalath, Narayanan

2017-08-01

The use of waste/by-product materials, such as slag or fly ash, activated using alkaline agents to create binding materials for construction applications (in lieu of portland cement) is on the rise. The influence of activation parameters (SiO 2 to Na 2 O ratio or M s of the activator, Na 2 O to slag ratio or n, cation type K + or Na + ) on the process and extent of alkali activation of slag under ambient and elevated temperature curing, evaluated through spectroscopic techniques, is reported in this paper. Fourier transform infrared spectroscopy along with a Fourier self-deconvolution method is used. The major spectral band of interest lies in the wavenumber range of ∼950 cm -1 , corresponding to the antisymmetric stretching vibration of Si-O-T (T = Si or Al) bonds. The variation in the spectra with time from 6 h to 28 days is attributed to the incorporation of Al in the gel structure and the enhancement in degree of polymerization of the gel. 29 Si nuclear magnetic resonance spectroscopy is used to quantify the Al incorporation with time, which is found to be higher when Na silicate is used as the activator. The Si-O-T bond wavenumbers are also generally lower for the Na silicate activated systems.

Molecular recognition of 7-(2-octadecyloxycarbonylethyl)guanine to cytidine at the air/water interface and LB film studied by Fourier transform infrared spectroscopy.

PubMed

Miao, Wangen; Luo, Xuzhong; Liang, Yingqiu

2003-03-15

Monolayer behavior of a nucleolipid amphiphile, 7-(2-octadecyloxycarbonylethyl)guanine (ODCG), on aqueous cytidine solution was investigated by means of surface-molecular area (pi-A) isotherms. It indicates that molecular recognition by hydrogen bonding is present between ODCG monolayer and the cytidine in subphase. The Fourier transform infrared (FTIR) transmission spectroscopic result indicates that the cytidine molecules in the subphase can be transferred onto solid substrates by Langmuir-Blodgett (LB) technique as a result of the formation of Watson-Crick base-pairing at the air/water interface. Investigation by rotating polarized FTIR transmission also suggests that the headgroup recognition of this amphiphile to the dissolved cytidine influence the orientation of the tailchains. Copyright 2002 Elsevier Science B.V.

Molecular recognition of 7-(2-octadecyloxycarbonylethyl)guanine to cytidine at the air/water interface and LB film studied by Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Miao, Wangen; Luo, Xuzhong; Liang, Yingqiu

2003-03-01

Monolayer behavior of a nucleolipid amphiphile, 7-(2-octadecyloxycarbonylethyl)guanine (ODCG), on aqueous cytidine solution was investigated by means of surface-molecular area ( π- A) isotherms. It indicates that molecular recognition by hydrogen bonding is present between ODCG monolayer and the cytidine in subphase. The Fourier transform infrared (FTIR) transmission spectroscopic result indicates that the cytidine molecules in the subphase can be transferred onto solid substrates by Langmuir-Blodgett (LB) technique as a result of the formation of Watson-Crick base-pairing at the air/water interface. Investigation by rotating polarized FTIR transmission also suggests that the headgroup recognition of this amphiphile to the dissolved cytidine influence the orientation of the tailchains.

Step-scan T cell-based differential Fourier transform infrared photoacoustic spectroscopy (DFTIR-PAS) for detection of ambient air contaminants

NASA Astrophysics Data System (ADS)

Liu, Lixian; Mandelis, Andreas; Huan, Huiting; Melnikov, Alexander

2016-10-01

A step-scan differential Fourier transform infrared photoacoustic spectroscopy (DFTIR-PAS) using a commercial FTIR spectrometer was developed theoretically and experimentally for air contaminant monitoring. The configuration comprises two identical, small-size and low-resonance-frequency T cells satisfying the conflicting requirements of low chopping frequency and limited space in the sample compartment. Carbon dioxide (CO2) IR absorption spectra were used to demonstrate the capability of the DFTIR-PAS method to detect ambient pollutants. A linear amplitude response to CO2 concentrations from 100 to 10,000 ppmv was observed, leading to a theoretical detection limit of 2 ppmv. The differential mode was able to suppress the coherent noise, thereby imparting the DFTIR-PAS method with a better signal-to-noise ratio and lower theoretical detection limit than the single mode. The results indicate that it is possible to use step-scan DFTIR-PAS with T cells as a quantitative method for high sensitivity analysis of ambient contaminants.

A method of power analysis based on piecewise discrete Fourier transform

NASA Astrophysics Data System (ADS)

Xin, Miaomiao; Zhang, Yanchi; Xie, Da

2018-04-01

The paper analyzes the existing feature extraction methods. The characteristics of discrete Fourier transform and piecewise aggregation approximation are analyzed. Combining with the advantages of the two methods, a new piecewise discrete Fourier transform is proposed. And the method is used to analyze the lighting power of a large customer in this paper. The time series feature maps of four different cases are compared with the original data, discrete Fourier transform, piecewise aggregation approximation and piecewise discrete Fourier transform. This new method can reflect both the overall trend of electricity change and its internal changes in electrical analysis.

Monitoring 2-ethylhexyl-4-methoxycinnamate photoisomerization on skin using attenuated total reflection fourier transform infrared spectroscopy.

PubMed

Pangnakorn, P; Nonthabenjawan, R; Ekgasit, S; Thammacharoen, C; Pattanaargson Wanichwecharungruang, S

2007-02-01

Photoisomerization and photodimerization of a widely used UVB filter, 2-ethylhexy-4-methoxycinnamate (EHMC) on a ZnSe surface and baby mouse (Mus musculus Linn.) skin were monitored using attenuated total reflection Fourier transform infrared spectroscopy (ATR-FT-IR). Differentiation between the E- and the Z-EHMC could be achieved by examining the infrared (IR) peak at 981 cm(-1) (b peak), which corresponds to the CH rocking deformation vibration of Ph-CH=CH- detected only in the E configuration. By plotting the ratios of the peak area of the b peak and an internal standard peak (1060-998 cm(-1)) against mole percentage of Z-isomer in the E-Z mixtures, a linear calibration plot was obtained. Thus, a simple estimation of the mole percentage of each configuration in a sample was obtained. At the same UVB exposure, photostationary equilibrium of the E/Z isomerization on the surface varied with the applied amounts of EHMC. Photoisomerizations on ZnSe and on baby mouse skin were comparable. Less than 10% of E-EHMC changed configuration when the mouse skins applied with 1.0-4.0 mg/cm(2) E-EHMC were exposed to sunlight for 60 min (UVB radiant exposure of approximately 0.30 J/cm(2)). This corresponded to less than 5% loss in UV filtering efficiency. However, at a typical EHMC skin coverage ( approximately 0.2 mg/cm(2)), 0.30 J/cm(2) UVB exposure induced approximately 50% photoisomerization resulting in 25% loss of UV filtering efficiency. No photodimerization was detected even at the extreme EHMC coverage of 4.0 mg/cm(2) after a UVB exposure of 0.90 J/cm(2).

Determination of Fourier Transforms on an Instructional Analog Computer

ERIC Educational Resources Information Center

Anderson, Owen T.; Greenwood, Stephen R.

1974-01-01

An analog computer program to find and display the Fourier transform of some real, even functions is described. Oscilloscope traces are shown for Fourier transforms of a rectangular pulse, a Gaussian, a cosine wave, and a delayed narrow pulse. Instructional uses of the program are discussed briefly. (DT)

Low-level laser therapy on MCF-7 cells: a micro-Fourier transform infrared spectroscopy study

NASA Astrophysics Data System (ADS)

Magrini, Taciana D.; dos Santos, Nathalia Villa; Milazzotto, Marcella Pecora; Cerchiaro, Giselle; da Silva Martinho, Herculano

2012-10-01

Low-level laser therapy (LLLT) is an emerging therapeutic approach for several clinical conditions. The clinical effects induced by LLLT presumably scale from photobiostimulation/photobioinhibition at the cellular level to the molecular level. The detailed mechanism underlying this effect remains unknown. This study quantifies some relevant aspects of LLLT related to molecular and cellular variations. Malignant breast cells (MCF-7) were exposed to spatially filtered light from a He-Ne laser (633 nm) with fluences of 5, 28.8, and 1000 mJ/cm2. The cell viability was evaluated by optical microscopy using the Trypan Blue viability test. The micro-Fourier transform infrared technique was employed to obtain the vibrational spectra of each experimental group (control and irradiated) and identify the relevant biochemical alterations that occurred due to the process. It was observed that the red light influenced the RNA, phosphate, and serine/threonine/tyrosine bands. We found that light can influence cell metabolism depending on the laser fluence. For 5 mJ/cm2, MCF-7 cells suffer bioinhibition with decreased metabolic rates. In contrast, for the 1 J/cm2 laser fluence, cells present biostimulation accompanied by a metabolic rate elevation. Surprisingly, at the intermediate fluence, 28.8 mJ/cm2, the metabolic rate is increased despite the absence of proliferative results. The data were interpreted within the retrograde signaling pathway mechanism activated with light irradiation.

Fourier Transform Infrared (FT-IR) Spectroscopy of Atmospheric Trace Gases HCl, NO and SO2

NASA Technical Reports Server (NTRS)

Haridass, C.; Aw-Musse, A.; Dowdye, E.; Bandyopadhyay, C.; Misra, P.; Okabe, H.

1998-01-01

Fourier Transform Infrared (FT-IR) spectral data have been recorded in the spectral region 400-4000/cm of hydrogen chloride and sulfur dioxide with I/cm resolution and of nitric oxide with 0.25 cm-i resolution, under quasi-static conditions, when the sample gas was passed through tubings of aluminum, copper, stainless steel and teflon. The absorbance was measured for the rotational lines of the fundamental bands of (1)H(35)Cl and (1)H(37)Cl for pressures in the range 100-1000 Torr and for the (14)N(16)O molecule in the range 100-300 Torr. The absorbance was also measured for individual rotational lines corresponding to the three modes of vibrations (upsilon(sub 1) - symmetric stretch, upsilon(sub 2) - symmetric bend, upsilon(sub 3) - anti-symmetric stretch) of the SO2 molecule in the pressure range 25-150 Torr. A graph of absorbance versus pressure was plotted for the observed rotational transitions of the three atmospherically significant molecules, and it was found that the absorbance was linearly proportional to the pressure range chosen, thereby validating Beer's law. The absorption cross-sections were determined from the graphical slopes for each rotational transition recorded for the HCl, NO and SO2 species. Qualitative and quantitative spectral changes in the FT-IR data will be discussed to identify and characterize various tubing materials with respect to their absorption features.

High-Throughput Metabolic Fingerprinting of Legume Silage Fermentations via Fourier Transform Infrared Spectroscopy and Chemometrics

PubMed Central

Johnson, Helen E.; Broadhurst, David; Kell, Douglas B.; Theodorou, Michael K.; Merry, Roger J.; Griffith, Gareth W.

2004-01-01

Silage quality is typically assessed by the measurement of several individual parameters, including pH, lactic acid, acetic acid, bacterial numbers, and protein content. The objective of this study was to use a holistic metabolic fingerprinting approach, combining a high-throughput microtiter plate-based fermentation system with Fourier transform infrared (FT-IR) spectroscopy, to obtain a snapshot of the sample metabolome (typically low-molecular-weight compounds) at a given time. The aim was to study the dynamics of red clover or grass silage fermentations in response to various inoculants incorporating lactic acid bacteria (LAB). The hyperspectral multivariate datasets generated by FT-IR spectroscopy are difficult to interpret visually, so chemometrics methods were used to deconvolute the data. Two-phase principal component-discriminant function analysis allowed discrimination between herbage types and different LAB inoculants and modeling of fermentation dynamics over time. Further analysis of FT-IR spectra by the use of genetic algorithms to identify the underlying biochemical differences between treatments revealed that the amide I and amide II regions (wavenumbers of 1,550 to 1,750 cm−1) of the spectra were most frequently selected (reflecting changes in proteins and free amino acids) in comparisons between control and inoculant-treated fermentations. This corresponds to the known importance of rapid fermentation for the efficient conservation of forage proteins. PMID:15006782

Application of Fourier transform near-infrared spectroscopy to optimization of green tea steaming process conditions.

PubMed

Ono, Daiki; Bamba, Takeshi; Oku, Yuichi; Yonetani, Tsutomu; Fukusaki, Eiichiro

2011-09-01

In this study, we constructed prediction models by metabolic fingerprinting of fresh green tea leaves using Fourier transform near-infrared (FT-NIR) spectroscopy and partial least squares (PLS) regression analysis to objectively optimize of the steaming process conditions in green tea manufacture. The steaming process is the most important step for manufacturing high quality green tea products. However, the parameter setting of the steamer is currently determined subjectively by the manufacturer. Therefore, a simple and robust system that can be used to objectively set the steaming process parameters is necessary. We focused on FT-NIR spectroscopy because of its simple operation, quick measurement, and low running costs. After removal of noise in the spectral data by principal component analysis (PCA), PLS regression analysis was performed using spectral information as independent variables, and the steaming parameters set by experienced manufacturers as dependent variables. The prediction models were successfully constructed with satisfactory accuracy. Moreover, the results of the demonstrated experiment suggested that the green tea steaming process parameters could be predicted on a larger manufacturing scale. This technique will contribute to improvement of the quality and productivity of green tea because it can objectively optimize the complicated green tea steaming process and will be suitable for practical use in green tea manufacture. Copyright © 2011 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Discrete fourier transform (DFT) analysis for applications using iterative transform methods

NASA Technical Reports Server (NTRS)

Dean, Bruce H. (Inventor)

2012-01-01

According to various embodiments, a method is provided for determining aberration data for an optical system. The method comprises collecting a data signal, and generating a pre-transformation algorithm. The data is pre-transformed by multiplying the data with the pre-transformation algorithm. A discrete Fourier transform of the pre-transformed data is performed in an iterative loop. The method further comprises back-transforming the data to generate aberration data.

A general spectral transformation simultaneously including a Fourier transformation and a Laplace transformation

NASA Technical Reports Server (NTRS)

Marko, H.

1978-01-01

A general spectral transformation is proposed and described. Its spectrum can be interpreted as a Fourier spectrum or a Laplace spectrum. The laws and functions of the method are discussed in comparison with the known transformations, and a sample application is shown.

Infrared absorption of CH3OSO detected with time-resolved Fourier-transform spectroscopy.

PubMed

Chen, Jin-Dah; Lee, Yuan-Pern

2011-03-07

A step-scan Fourier-transform spectrometer coupled with a multipass absorption cell was employed to detect temporally resolved infrared absorption spectra of CH(3)OSO produced upon irradiation of a flowing gaseous mixture of CH(3)OS(O)Cl in N(2) or CO(2) at 248 nm. Two intense transient features with origins near 1152 and 994 cm(-1) are assigned to syn-CH(3)OSO; the former is attributed to overlapping bands at 1154 ± 3 and 1151 ± 3 cm(-1), assigned to the S=O stretching mixed with CH(3) rocking (ν(8)) and the S=O stretching mixed with CH(3) wagging (ν(9)) modes, respectively, and the latter to the C-O stretching (ν(10)) mode at 994 ± 6 cm(-1). Two weak bands at 2991 ± 6 and 2956 ± 3 cm(-1) are assigned as the CH(3) antisymmetric stretching (ν(2)) and symmetric stretching (ν(3)) modes, respectively. Observed vibrational transition wavenumbers agree satisfactorily with those predicted with quantum-chemical calculations at level B3P86∕aug-cc-pVTZ. Based on rotational parameters predicted at that level, the simulated rotational contours of these bands agree satisfactorily with experimental results. The simulation indicates that the S=O stretching mode of anti-CH(3)OSO near 1164 cm(-1) likely makes a small contribution to the observed band near 1152 cm(-1). A simple kinetic model of self-reaction is employed to account for the decay of CH(3)OSO and yields a second-order rate coefficient k=(4 ± 2)×10(-10) cm(3)molecule(-1)s(-1). © 2011 American Institute of Physics.

XRD and FTIR structural investigation of gadolinium-zinc-borate glass ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Borodi, G.; Pascuta, P.; Dan, V.

2013-11-13

X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy measurements have been employed to investigate the (Gd{sub 2}O{sub 3}){sub x}⋅(B{sub 2}O{sub 3}){sub (60−x)}⋅(ZnO){sub 40} glass ceramics system, with 0 ≤ x ≤ 15 mol%. After heat treatment applied at 860 °C for 2 h, some structural changes were observed and new crystalline phases appeared in the structure of the samples. In these glass ceramics four crystalline phases were identified using powder diffraction files (PDF 2), namely ZnB{sub 4}O{sub 7}, Zn{sub 4}O(B{sub 6}O{sub 12}), Zn{sub 3}(BO{sub 3}){sub 2} and GdBO{sub 3}. From the XRD data, the average unit-cell parameter and themore » quantitative ratio of the crystallographic phases in the studied samples were evaluated. FTIR data revealed that the BO{sub 3}, BO{sub 4} and ZnO{sub 4} are the main structural units of these glass ceramics network. The compositional dependence of the different structural units which appear in the studied samples was followed.« less

Passive Fourier-transform infrared spectroscopy of chemical plumes: an algorithm for quantitative interpretation and real-time background removal

NASA Astrophysics Data System (ADS)

Polak, Mark L.; Hall, Jeffrey L.; Herr, Kenneth C.

1995-08-01

We present a ratioing algorithm for quantitative analysis of the passive Fourier-transform infrared spectrum of a chemical plume. We show that the transmission of a near-field plume is given by tau plume = (Lobsd - Lbb-plume)/(Lbkgd - Lbb-plume), where tau _{plume is the frequency-dependent transmission of the plume, L obsd is the spectral radiance of the scene that contains the plume, Lbkgd is the spectral radiance of the same scene without the plume, and Lbb-plume is the spectral radiance of a blackbody at the plume temperature. The algorithm simultaneously achieves background removal, elimination of the spectrometer internal signature, and quantification of the plume spectral transmission. It has applications to both real-time processing for plume visualization and quantitative measurements of plume column densities. The plume temperature (Lbb-plume ), which is not always precisely known, can have a profound effect on the quantitative interpretation of the algorithm and is discussed in detail. Finally, we provide an illustrative example of the use of the algorithm on a trichloroethylene and acetone plume.}

Study of Surface Wettability Change of Unconsolidated Sand Using Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Thermogravimetric Analysis.

PubMed

Gómora-Herrera, Diana; Navarrete Bolaños, Juan; Lijanova, Irina V; Olivares-Xometl, Octavio; Likhanova, Natalya V

2018-04-01

The effects exerted by the adsorption of vapors of a non-polar compound (deuterated benzene) and a polar compound (water) on the surface of Ottawa sand and a sample of reservoir sand (Channel), which was previously impregnated with silicon oil or two kinds of surfactants, (2-hydroxyethyl) trimethylammonium oleate (HETAO) and (2-hydroxyethyl)trimethylammonium azelate (HETAA), were studied by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and thermogravimetric analysis (TGA). The surface chemistry of the sandstone rocks was elucidated by X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDX). Terminal surface groups such as hydroxyls can strongly adsorb molecules that interact with these surface groups (surfactants), resulting in a wettability change. The wettability change effect suffered by the surface after treating it with surfactants was possible to be detected by the DRIFTS technique, wherein it was observed that the surface became more hydrophobic after being treated with silicon oil and HETAO; the surface became more hydrophilic after treating it with HETAA.

Investigation on H-containing shallow trap of hydrogenated TiO2 with in situ Fourier transform infrared diffuse reflection spectroscopy.

PubMed

Han, Bing; Hang Hu, Yun

2017-07-28

A novel technique, high temperature high pressure in situ Fourier transform infrared diffuse reflection spectroscopy, was successfully used to investigate the formation and stability of shallow trap states in P25 TiO 2 nanoparticles. Two types of shallow traps (with and without H atoms) were identified. The H-containing shallow trap can be easily generated by heating in H 2 atmosphere. However, the trap is unstable in vacuum at 600 °C. In contrast, the H-free shallow trap, which can be formed by heating in vacuum, is stable even at 600 °C. The energy gaps between shallow trap states and the conduction band are 0.09 eV for H-containing shallow trap and 0.13 eV for H-free shallow trap, indicating that the H-containing shallow trap state is closer to the conduction band than that without H.

Classification of pumpkin seed oils according to their species and genetic variety by attenuated total reflection Fourier-transform infrared spectroscopy.

PubMed

Saucedo-Hernández, Yanelis; Lerma-García, María Jesús; Herrero-Martínez, José Manuel; Ramis-Ramos, Guillermo; Jorge-Rodríguez, Elisa; Simí-Alfonso, Ernesto F

2011-04-27

Attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR), followed by multivariate treatment of the spectral data, was used to classify seed oils of the genus Cucurbita (pumpkins) according to their species as C. maxima, C. pepo, and C. moschata. Also, C. moschata seed oils were classified according to their genetic variety as RG, Inivit C-88, and Inivit C-2000. Up to 23 wavelength regions were selected on the spectra, each region corresponding to a peak or shoulder. The normalized absorbance peak areas within these regions were used as predictors. Using linear discriminant analysis (LDA), an excellent resolution among all categories concerning both Cucurbita species and C. moschata varieties was achieved. The proposed method was straightforward and quick and can be easily implemented. Quality control of pumpkin seed oils is important because Cucurbita species and genetic variety are both related to the pharmaceutical properties of the oils.

Detection of aflatoxin and surface mould contaminated figs by using Fourier transform near-infrared reflectance spectroscopy.

PubMed

Durmuş, Efkan; Güneş, Ali; Kalkan, Habil

2017-01-01

Aflatoxins are toxic metabolites that are mainly produced by members of the Aspergillus section Flavi on many agricultural products. Certain agricultural products such as figs are known to be high risk products for aflatoxin contamination. Aflatoxin contaminated figs may show a bright greenish yellow fluorescence (BGYF) under ultraviolet (UV) light at a wavelength of 365 nm. Traditionally, BGYF positive figs are manually selected by workers. However, manual selection depends on the expertise level of the workers and it may cause them skin-related health problems due to UV radiation. In this study, we propose a non-invasive approach to detect aflatoxin and surface mould contaminated figs by using Fourier transform near-infrared (FT-NIR) reflectance spectroscopy. A classification accuracy of 100% is achieved for classifying the figs into aflatoxin contaminated/uncontaminated and surface mould contaminated/uncontaminated categories. In addition, a strong correlation has been found between aflatoxin and surface mould. Combined with pattern classification methods, the NIR spectroscopy can be used to detect aflatoxin contaminated figs non-invasively. Furthermore, a positive correlation between surface mould and aflatoxin contamination leads to a promising alternative indicator for the detection of aflatoxin-contaminated figs. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Fourier transform infrared spectroscopy to quantify collagen and elastin in an in vitro model of extracellular matrix degradation in aorta.

PubMed

Cheheltani, Rabee; McGoverin, Cushla M; Rao, Jayashree; Vorp, David A; Kiani, Mohammad F; Pleshko, Nancy

2014-06-21

Extracellular matrix (ECM) is a key component and regulator of many biological tissues including aorta. Several aortic pathologies are associated with significant changes in the composition of the matrix, especially in the content, quality and type of aortic structural proteins, collagen and elastin. The purpose of this study was to develop an infrared spectroscopic methodology that is comparable to biochemical assays to quantify collagen and elastin in aorta. Enzymatically degraded porcine aorta samples were used as a model of ECM degradation in abdominal aortic aneurysm (AAA). After enzymatic treatment, Fourier transform infrared (FTIR) spectra of the aortic tissue were acquired by an infrared fiber optic probe (IFOP) and FTIR imaging spectroscopy (FT-IRIS). Collagen and elastin content were quantified biochemically and partial least squares (PLS) models were developed to predict collagen and elastin content in aorta based on FTIR spectra. PLS models developed from FT-IRIS spectra were able to predict elastin and collagen content of the samples with strong correlations (RMSE of validation = 8.4% and 11.1% of the range respectively), and IFOP spectra were successfully used to predict elastin content (RMSE = 11.3% of the range). The PLS regression coefficients from the FT-IRIS models were used to map collagen and elastin in tissue sections of degraded porcine aortic tissue as well as a human AAA biopsy tissue, creating a similar map of each component compared to histology. These results support further application of FTIR spectroscopic techniques for evaluation of AAA tissues.

Fourier Transform Infrared Spectroscopy to Quantify Collagen and Elastin in an In Vitro Model of Extracellular Matrix Degradation in Aorta

PubMed Central

Cheheltani, Rabee; McGoverin, Cushla M.; Rao, Jayashree; Vorp, David A.; Kiani, Mohammad F.; Pleshko, N.

2014-01-01

Extracellular matrix (ECM) is a key component and regulator of many biological tissues including aorta. Several aortic pathologies are associated with significant changes in the composition of the matrix, especially in the content, quality and type of aortic structural proteins, collagen and elastin. The purpose of this study was to develop an infrared spectroscopic methodology that is comparable to biochemical assays to quantify collagen and elastin in aorta. Enzymatically degraded porcine aorta samples were used as a model of ECM degradation in abdominal aortic aneurysm (AAA). After enzymatic treatment, Fourier transform infrared (FTIR) spectra of the aortic tissue were acquired by an infrared fiber optic probe (IFOP) and FTIR imaging spectroscopy (FT-IRIS). Collagen and elastin content were quantified biochemically and partial least squares (PLS) models were developed to predict collagen and elastin content in aorta based on FTIR spectra. PLS models developed from FT-IRIS spectra were able to predict elastin and collagen content of the samples with strong correlations (RMSE of validation = 8.4% and 11.1% of the range respectively), and IFOP spectra were successfully used to predict elastin content (RMSE = 11.3% of the range). The PLS regression coefficients from the FT-IRIS models were used to map collagen and elastin in tissue sections of degraded porcine aortic tissue as well as a human AAA biopsy tissue, creating a similar map of each component compared to histology. These results support further application of FTIR spectroscopic techniques for evaluation of AAA tissues. PMID:24761431

Implementation of Time-Resolved Step-Scan Fourier Transform Infrared (FT-IR) Spectroscopy Using a kHz Repetition Rate Pump Laser

PubMed Central

MAGANA, DONNY; PARUL, DZMITRY; DYER, R. BRIAN; SHREVE, ANDREW P.

2011-01-01

Time-resolved step-scan Fourier transform infrared (FT-IR) spectroscopy has been shown to be invaluable for studying excited-state structures and dynamics in both biological and inorganic systems. Despite the established utility of this method, technical challenges continue to limit the data quality and more wide ranging applications. A critical problem has been the low laser repetition rate and interferometer stepping rate (both are typically 10 Hz) used for data acquisition. Here we demonstrate significant improvement in the quality of time-resolved spectra through the use of a kHz repetition rate laser to achieve kHz excitation and data collection rates while stepping the spectrometer at 200 Hz. We have studied the metal-to-ligand charge transfer excited state of Ru(bipyridine)3Cl2 in deuterated acetonitrile to test and optimize high repetition rate data collection. Comparison of different interferometer stepping rates reveals an optimum rate of 200 Hz due to minimization of long-term baseline drift. With the improved collection efficiency and signal-to-noise ratio, better assignments of the MLCT excited-state bands can be made. Using optimized parameters, carbonmonoxy myoglobin in deuterated buffer is also studied by observing the infrared signatures of carbon monoxide photolysis upon excitation of the heme. We conclude from these studies that a substantial increase in performance of ss-FT-IR instrumentation is achieved by coupling commercial infrared benches with kHz repetition rate lasers. PMID:21513597

Identification of pulmonary edema in forensic autopsy cases of fatal anaphylactic shock using Fourier transform infrared microspectroscopy.

PubMed

Lin, Hancheng; Luo, Yiwen; Wang, Lei; Deng, Kaifei; Sun, Qiran; Fang, Ruoxi; Wei, Xin; Zha, Shuai; Wang, Zhenyuan; Huang, Ping

2018-03-01

Anaphylaxis is a rapid allergic reaction that may cause sudden death. Currently, postmortem diagnosis of anaphylactic shock is sometimes difficult and often achieved through exclusion. The aim of our study was to investigate whether Fourier transform infrared (FTIR) microspectroscopy combined with pattern recognition methods would be complementary to traditional methods and provide a more accurate postmortem diagnosis of fatal anaphylactic shock. First, the results of spectral peak area analysis showed that the pulmonary edema fluid of the fatal anaphylactic shock group was richer in protein components than the control group, which included mechanical asphyxia, brain injury, and acute cardiac death. Subsequently, principle component analysis (PCA) was performed and showed that the anaphylactic shock group contained more turn and α-helix protein structures as well as less tyrosine-rich proteins than the control group. Ultimately, a partial least-square discriminant analysis (PLS-DA) model combined with a variables selection method called the genetic algorithm (GA) was built and demonstrated good separation between these two groups. This pilot study demonstrates that FTIR microspectroscopy has the potential to be an effective aid for postmortem diagnosis of fatal anaphylactic shock.

Fourier transform infrared spectroscopy combined with chemometrics for discrimination of Curcuma longa, Curcuma xanthorrhiza and Zingiber cassumunar

NASA Astrophysics Data System (ADS)

Rohaeti, Eti; Rafi, Mohamad; Syafitri, Utami Dyah; Heryanto, Rudi

2015-02-01

Turmeric (Curcuma longa), java turmeric (Curcuma xanthorrhiza) and cassumunar ginger (Zingiber cassumunar) are widely used in traditional Indonesian medicines (jamu). They have similar color for their rhizome and possess some similar uses, so it is possible to substitute one for the other. The identification and discrimination of these closely-related plants is a crucial task to ensure the quality of the raw materials. Therefore, an analytical method which is rapid, simple and accurate for discriminating these species using Fourier transform infrared spectroscopy (FTIR) combined with some chemometrics methods was developed. FTIR spectra were acquired in the mid-IR region (4000-400 cm-1). Standard normal variate, first and second order derivative spectra were compared for the spectral data. Principal component analysis (PCA) and canonical variate analysis (CVA) were used for the classification of the three species. Samples could be discriminated by visual analysis of the FTIR spectra by using their marker bands. Discrimination of the three species was also possible through the combination of the pre-processed FTIR spectra with PCA and CVA, in which CVA gave clearer discrimination. Subsequently, the developed method could be used for the identification and discrimination of the three closely-related plant species.

A Short-Segment Fourier Transform Methodology

DTIC Science & Technology

2009-03-01

defined sampling of the continuous-valued discrete-time Fourier transform, superresolution in the frequency domain and allowance of Dirac delta functions associated with pure sinusoidal input data components.

Fourier transform spectroscopy for future planetary missions

NASA Astrophysics Data System (ADS)

Brasunas, John; Kolasinski, John; Kostiuk, Ted; Hewagama, Tilak

2017-01-01

Thermal-emission infrared spectroscopy is a powerful tool for exploring the composition, temperature structure, and dynamics of planetary atmospheres; and the temperature of solid surfaces. A host of Fourier transform spectrometers (FTS) such as Mariner IRIS, Voyager IRIS, and Cassini CIRS from NASA Goddard have made and continue to make important new discoveries throughout the solar system. Future FTS instruments will have to be more sensitive (when we concentrate on the colder, outer reaches of the solar system), and less massive and less power-hungry as we cope with decreasing resource allotments for future planetary science instruments. With this in mind, we have developed CIRS-lite, a smaller version of the CIRS FTS for future planetary missions. We discuss the roadmap for making CIRS-lite a viable candidate for future planetary missions, including the recent increased emphasis on ocean worlds (Europa, Encelatus, Titan) and also on smaller payloads such as CubeSats and SmallSats.

Infrared maritime target detection using the high order statistic filtering in fractional Fourier domain

NASA Astrophysics Data System (ADS)

Zhou, Anran; Xie, Weixin; Pei, Jihong

2018-06-01

Accurate detection of maritime targets in infrared imagery under various sea clutter conditions is always a challenging task. The fractional Fourier transform (FRFT) is the extension of the Fourier transform in the fractional order, and has richer spatial-frequency information. By combining it with the high order statistic filtering, a new ship detection method is proposed. First, the proper range of angle parameter is determined to make it easier for the ship components and background to be separated. Second, a new high order statistic curve (HOSC) at each fractional frequency point is designed. It is proved that maximal peak interval in HOSC reflects the target information, while the points outside the interval reflect the background. And the value of HOSC relative to the ship is much bigger than that to the sea clutter. Then, search the curve's maximal target peak interval and extract the interval by bandpass filtering in fractional Fourier domain. The value outside the peak interval of HOSC decreases rapidly to 0, so the background is effectively suppressed. Finally, the detection result is obtained by the double threshold segmenting and the target region selection method. The results show the proposed method is excellent for maritime targets detection with high clutters.

Prospective pilot study to detect dogs with non food-induced canine atopic dermatitis using Fourier transform infrared spectroscopy.

PubMed

Bruet, Vincent; Dumon, Henri; Bourdeau, Patrick; Desfontis, Jean-Claude; Martin, Lucile

2016-10-01

The diagnosis of canine atopic dermatitis (CAD) remains challenging due to the lack of a simple biomarker or metabolic profile. In human medicine, Fourier transform infrared spectroscopy (FTIR) is an analytical technique used for several diseases. It requires a small amount of sample and allows the identification of structural moieties of biomolecules on the basis of their infrared absorption, with limited sample pretreatment. The aim of the study was to evaluate the diagnostic value of FTIR. Three groups were tested: 21 dogs with non food-induced CAD (NFICAD), 16 dogs with inflammatory conditions of various origins but without allergic dermatoses (OD) and 10 healthy dogs (H). Peripheral blood was collected and spectra were acquired with a FTIR spectrophotometer. A principal component analysis (PCA) was performed on the full wavenumber spectra (4000-600/cm), followed by a Fisher discriminant analysis (DA) to assess the differences between the three groups. The PCA followed by the DA of whole spectra showed significant differences between the three groups. These results suggest that by using the FTIR method, dogs with NFICAD can be differentiated from healthy dogs and dogs with nonallergic inflammation. There was no overlap between the spectral data of the three groups indicating that NFICAD dogs were correctly segregated from the H and OD groups. A study on a larger cohort including common pruritic skin diseases is necessary to confirm these initial results and the relevance of this diagnostic technique. © 2016 ESVD and ACVD.

Determination of glass transition temperature of reduced graphene oxide-poly(vinyl alcohol) composites using temperature dependent Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Mahendia, Suman; Heena; Kandhol, Geeta; Deshpande, Uday P.; Kumar, Shyam

2016-05-01

In the present work, structural properties of reduced graphene oxide (RGO) synthesized using modified Hummer's method and its composites with Poly(vinyl alcohol) (PVA) fabricated using solution-cast method have been studied. The structural properties of prepared samples have been systematically studied through UV-Visible absorption, Raman, Fourier Transform Infrared (FTIR) and Differential Scanning Calorimeter (DSC) spectroscopy. Infrared spectroscopy indicates the grafting of PVA chains with graphene layer through the formation of H-bonding linkage in the composites. Temperature-dependent FTIR spectra of PVA-RGO composite films were recorded to obtain the glass transition temperature (Tg) and to study its molecular origin. From these spectra the values of Tg were obtained using two-dimensional (2D) mapping of the first derivative of the absorbance intensity with respect to temperature (dA/dT), over the space of wavenumber and temperature. The value of Tg obtained for pure PVA increases from 78 °C to 92 °C after loading 0.5 wt.% of RGO in PVA and can be attributed to the strong H-bonding interaction between polymer chains and grafted solid surface of RGO. These results are in good agreement with those obtained from DSC analysis. This clearly indicates that the thermal behavior of PVA gets modified with loading of RGO.

Identification of Pulmonary Edema in Forensic Autopsy Cases of Sudden Cardiac Death Using Fourier Transform Infrared Microspectroscopy: A Pilot Study.

PubMed

Lin, Hancheng; Luo, Yiwen; Sun, Qiran; Zhang, Ji; Tuo, Ya; Zhang, Zhong; Wang, Lei; Deng, Kaifei; Chen, Yijiu; Huang, Ping; Wang, Zhenyuan

2018-02-20

Many studies have proven the usefulness of biofluid-based infrared spectroscopy in the clinical domain for diagnosis and monitoring the progression of diseases. Here we present a state-of-the-art study in the forensic field that employed Fourier transform infrared microspectroscopy for postmortem diagnosis of sudden cardiac death (SCD) by in situ biochemical investigation of alveolar edema fluid in lung tissue sections. The results of amide-related spectral absorbance analysis demonstrated that the pulmonary edema fluid of the SCD group was richer in protein components than that of the neurologic catastrophe (NC) and lethal multiple injuries (LMI) groups. The complementary results of unsupervised principle component analysis (PCA) and genetic algorithm-guided partial least-squares discriminant analysis (GA-PLS-DA) further indicated different global spectral band patterns of pulmonary edema fluids between these three groups. Ultimately, a random forest (RF) classification model for postmortem diagnosis of SCD was built and achieved good sensitivity and specificity scores of 97.3% and 95.5%, respectively. Classification predictions of unknown pulmonary edema fluid collected from 16 cases were also performed by the model, resulting in 100% correct discrimination. This pilot study demonstrates that FTIR microspectroscopy in combination with chemometrics has the potential to be an effective aid for postmortem diagnosis of SCD.

[Study of the phase transformation of TiO2 with in-situ XRD in different gas].

PubMed

Ma, Li-Jing; Guo, Lie-Jin

2011-04-01

TiO2 sample was prepared by sol-gel method from chloride titanium. The phase transformation of the prepared TiO2 sample was studied by in-situ XRD and normal XRD in different gas. The experimental results showed that the phase transformation temperatures of TiO2 were different under in-situ or normal XRD in different kinds of gas. The transformation of amorphous TiO2 to anatase was controlled by kinetics before 500 degrees C. In-situ XRD showed that the growth of anatase was inhibited, but the transformation of anatase to rutile was accelerated under inactive nitrogen in contrast to air. Also better crystal was obtained under hydrogen than in argon. These all showed that external oxygen might accelerate the growth of TiO2, but reduced gas might partly counteract the negative influence of lack of external oxygen. The mechanism of phase transformation of TiO2 was studied by in-situ XRD in order to control the structure in situ.

Photonic fractional Fourier transformer with a single dispersive device.

PubMed

Cuadrado-Laborde, C; Carrascosa, A; Díez, A; Cruz, J L; Andres, M V

2013-04-08

In this work we used the temporal analog of spatial Fresnel diffraction to design a temporal fractional Fourier transformer with a single dispersive device, in this way avoiding the use of quadratic phase modulators. We demonstrate that a single dispersive passive device inherently provides the fractional Fourier transform of an incident optical pulse. The relationships linking the fractional Fourier transform order and scaling factor with the dispersion parameters are derived. We first provide some numerical results in order to prove the validity of our proposal, using a fiber Bragg grating as the dispersive device. Next, we experimentally demonstrate the feasibility of this proposal by using a spool of a standard optical fiber as the dispersive device.

Binding of transducin and transducin-derived peptides to rhodopsin studies by attenuated total reflection-Fourier transform infrared difference spectroscopy.

PubMed Central

Fahmy, K

1998-01-01

Fourier transform infrared difference spectroscopy combined with the attenuated total reflection technique allows the monitoring of the association of transducin with bovine photoreceptor membranes in the dark. Illumination causes infrared absorption changes linked to formation of the light-activated rhodopsin-transducin complex. In addition to the spectral changes normally associated with meta II formation, prominent absorption increases occur at 1735 cm-1, 1640 cm-1, 1550 cm-1, and 1517 cm-1. The D2O sensitivity of the broad carbonyl stretching band around 1735 cm-1 indicates that a carboxylic acid group becomes protonated upon formation of the activated complex. Reconstitution of rhodopsin into phosphatidylcholine vesicles has little influence on the spectral properties of the rhodopsin-transducin complex, whereas pH affects the intensity of the carbonyl stretching band. AC-terminal peptide comprising amino acids 340-350 of the transducin alpha-subunit reproduces the frequencies and isotope sensitivities of several of the transducin-induced bands between 1500 and 1800 cm-1, whereas an N-terminal peptide (aa 8-23) does not. Therefore, the transducin-induced absorption changes can be ascribed mainly to an interaction between the transducin-alpha C-terminus and rhodopsin. The 1735 cm-1 vibration is also seen in the complex with C-terminal peptides devoid of free carboxylic acid groups, indicating that the corresponding carbonyl group is located on rhodopsin. PMID:9726932

Beyond Fourier Transform Infrared Spectroscopy: External Cavity Quantum Cascade Laser-Based Mid-infrared Transmission Spectroscopy of Proteins in the Amide I and Amide II Region.

PubMed

Schwaighofer, Andreas; Montemurro, Milagros; Freitag, Stephan; Kristament, Christian; Culzoni, María J; Lendl, Bernhard

2018-05-24

In this work, we present a setup for mid-IR measurements of the protein amide I and amide II bands in aqueous solution. Employing a latest generation external cavity-quantum cascade laser (EC-QCL) at room temperature in pulsed operation mode allowed implementing a high optical path length of 31 μm that ensures robust sample handling. By application of a data processing routine, which removes occasionally deviating EC-QCL scans, the noise level could be lowered by a factor of 4. The thereby accomplished signal-to-noise ratio is better by a factor of approximately 2 compared to research-grade Fourier transform infrared (FT-IR) spectrometers at equal acquisition times. Employing this setup, characteristic spectral features of three representative proteins with different secondary structures could be measured at concentrations as low as 1 mg mL -1 . Mathematical evaluation of the spectral overlap confirms excellent agreement of the quantum cascade laser infrared spectroscropy (QCL-IR) transmission measurements with protein spectra acquired by FT-IR spectroscopy. The presented setup combines performance surpassing FT-IR spectroscopy with large applicable optical paths and coverage of the relevant spectral range for protein analysis. This holds high potential for future EC-QCL-based protein studies, including the investigation of dynamic secondary structure changes and chemometrics-based protein quantification in complex matrices.

Electro-optic Imaging Fourier Transform Spectrometer

NASA Technical Reports Server (NTRS)

Chao, Tien-Hsin

2005-01-01

JPL is developing an innovative compact, low mass, Electro-Optic Imaging Fourier Transform Spectrometer (E-O IFTS) for hyperspectral imaging applications. The spectral region of this spectrometer will be 1 - 2.5 micron (1000-4000/cm) to allow high-resolution, high-speed hyperspectral imaging applications. One application will be the remote sensing of the measurement of a large number of different atmospheric gases simultaneously in the same airmass. Due to the use of a combination of birefringent phase retarders and multiple achromatic phase switches to achieve phase delay, this spectrometer is capable of hyperspectral measurements similar to that of the conventional Fourier transform spectrometer but without any moving parts. In this paper, the principle of operations, system architecture and recent experimental progress will be presented.

Electro-optic Imaging Fourier Transform Spectrometer

NASA Technical Reports Server (NTRS)

Chao, Tien-Hsin

2005-01-01

JPL is developing an innovative compact, low mass, Electro-Optic Imaging Fourier Transform Spectrometer (E-0IFTS) for hyperspectral imaging applications. The spectral region of this spectrometer will be 1 - 2.5 pm (1000 -4000 cm-') to allow high-resolution, high-speed hyperspectral imaging applications [l-51. One application will be theremote sensing of the measurement of a large number of different atmospheric gases simultaneously in the sameairmass. Due to the use of a combination of birefiingent phase retarders and multiple achromatic phase switches toachieve phase delay, this spectrometer is capable of hyperspectral measurements similar to that of the conventionalFourier transform spectrometer but without any moving parts. In this paper, the principle of operations, systemarchitecture and recent experimental progress will be presen.

Characterization of ancient glass excavated in Enez (Ancient Ainos) Turkey by combined Instrumental Neutron Activation Analysis and Fourier Transform Infrared spectrometry techniques

NASA Astrophysics Data System (ADS)

Akyuz, Sevim; Akyuz, Tanil; Mukhamedshina, Nuranya M.; Mirsagatova, A. Adiba; Basaran, Sait; Cakan, Banu

2012-05-01

Ancient glass fragments excavated in the archaeological district Enez (Ancient Ainos)-Turkey were investigated by combined Instrumental Neutron Activation Analysis (INAA) and Fourier Transform Infrared (FTIR) spectrometry techniques. Multi-elemental contents of 15 glass fragments that belong to Hellenistic, Roman, Byzantine, and Ottoman Periods, were determined by INAA. The concentrations of twenty six elements (Na, K, Ca, Sc, Cr, Mn, Fe, Co, Cu, Zn, As, Rb, Sr, Sb, Cs, Ba, Ce, Sm, Eu, Tb, Yb, Lu, Hf, Ta, Au and Th), which might be present in the samples as flux, stabilizers, colorants or opacifiers, and impurities, were examined. Chemometric treatment of the INAA data was performed and principle component analysis revealed presence of 3 distinct groups. The thermal history of the glass samples was determined by FTIR spectrometry.

Modulated Fourier Transform Raman Fiber-Optic Spectroscopy

NASA Technical Reports Server (NTRS)

Jensen, Brian J. (Inventor); Cooper, John B. (Inventor); Wise, Kent L. (Inventor)

2000-01-01

A modification to a commercial Fourier Transform (FT) Raman spectrometer is presented for the elimination of thermal backgrounds in the FT Raman spectra. The modification involves the use of a mechanical optical chopper to modulate the continuous wave laser, remote collection of the signal via fiber optics, and connection of a dual-phase digital-signal-processor (DSP) lock-in amplifier between the detector and the spectrometer's collection electronics to demodulate and filter the optical signals. The resulting Modulated Fourier Transform Raman Fiber-Optic Spectrometer is capable of completely eliminating thermal backgrounds at temperatures exceeding 300 C.

Fast classification and compositional analysis of cornstover fractions using Fourier transform near-infrared techniques.

PubMed

Philip Ye, X; Liu, Lu; Hayes, Douglas; Womac, Alvin; Hong, Kunlun; Sokhansanj, Shahab

2008-10-01

The objectives of this research were to determine the variation of chemical composition across botanical fractions of cornstover, and to probe the potential of Fourier transform near-infrared (FT-NIR) techniques in qualitatively classifying separated cornstover fractions and in quantitatively analyzing chemical compositions of cornstover by developing calibration models to predict chemical compositions of cornstover based on FT-NIR spectra. Large variations of cornstover chemical composition for wide calibration ranges, which is required by a reliable calibration model, were achieved by manually separating the cornstover samples into six botanical fractions, and their chemical compositions were determined by conventional wet chemical analyses, which proved that chemical composition varies significantly among different botanical fractions of cornstover. Different botanic fractions, having total saccharide content in descending order, are husk, sheath, pith, rind, leaf, and node. Based on FT-NIR spectra acquired on the biomass, classification by Soft Independent Modeling of Class Analogy (SIMCA) was employed to conduct qualitative classification of cornstover fractions, and partial least square (PLS) regression was used for quantitative chemical composition analysis. SIMCA was successfully demonstrated in classifying botanical fractions of cornstover. The developed PLS model yielded root mean square error of prediction (RMSEP %w/w) of 0.92, 1.03, 0.17, 0.27, 0.21, 1.12, and 0.57 for glucan, xylan, galactan, arabinan, mannan, lignin, and ash, respectively. The results showed the potential of FT-NIR techniques in combination with multivariate analysis to be utilized by biomass feedstock suppliers, bioethanol manufacturers, and bio-power producers in order to better manage bioenergy feedstocks and enhance bioconversion.

Causal Correlation Functions and Fourier Transforms: Application in Calculating Pressure Induced Shifts

NASA Technical Reports Server (NTRS)

Ma, Q.; Tipping, R. H.; Lavrentieva, N. N.

2012-01-01

By adopting a concept from signal processing, instead of starting from the correlation functions which are even, one considers the causal correlation functions whose Fourier transforms become complex. Their real and imaginary parts multiplied by 2 are the Fourier transforms of the original correlations and the subsequent Hilbert transforms, respectively. Thus, by taking this step one can complete the two previously needed transforms. However, to obviate performing the Cauchy principal integrations required in the Hilbert transforms is the greatest advantage. Meanwhile, because the causal correlations are well-bounded within the time domain and band limited in the frequency domain, one can replace their Fourier transforms by the discrete Fourier transforms and the latter can be carried out with the FFT algorithm. This replacement is justified by sampling theory because the Fourier transforms can be derived from the discrete Fourier transforms with the Nyquis rate without any distortions. We apply this method in calculating pressure induced shifts of H2O lines and obtain more reliable values. By comparing the calculated shifts with those in HITRAN 2008 and by screening both of them with the pair identity and the smooth variation rules, one can conclude many of shift values in HITRAN are not correct.

Discrimination of Fritillary according to geographical origin with Fourier transform infrared spectroscopy and two-dimensional correlation IR spectroscopy.

PubMed

Hua, Rui; Sun, Su-Qin; Zhou, Qun; Noda, Isao; Wang, Bao-Qin

2003-09-19

Fritillaria is a traditional Chinese herbal medicine for eliminating phlegm and relieving a cough with a long history in China and some other Asian countries. The objective of this study is to develop a nondestructive and accurate method to discriminate Fritillaria of different geographical origins, which is a troublesome work by existing analytical methods. We conducted a systematic study on five kinds of Fritillaria by Fourier transform infrared spectroscopy, second derivative infrared spectroscopy, and two-dimensional (2D) correlation infrared spectroscopy under thermal perturbation. Because Fritillaria consist of a large amount of starch, the conventional IR spectra of different Fritillaria only have very limited spectral feature differences. Based on these differences, we can separate different Fritillaria to a limited extent, but this method was deemed not very practical. The second derivative IR spectra of Fritillaria could enhance spectrum resolution, amplify the differences between the IR spectra of different Fritillaria, and provide some dissimilarity in their starch content, when compared with the spectrum of pure starch. Finally, we applied thermal perturbation to Fritillaria and analyzed the resulting spectra by the 2D correlation method to distinguish different Fritillaria easily and clearly. The distinction of very similar Fritillaria was possible because the spectral resolution was greatly enhanced by the 2D correlation spectroscopy. In addition, with the dynamic information of molecular structure provided by 2D correlation IR spectra, we studied the differences in the stability of active components of Fritillaria. The differences embodied mainly on the intensity ratio of the auto-peak at 985 cm(-1) and other auto-peaks. The 2D correlation IR spectroscopy (2D IR) of Fritillaria can be a new and powerful method to discriminate Fritillaria.

Analysis of the Maillard reaction in human hair using Fourier transform infrared spectroscopic imaging and a focal-plane array detector.

PubMed

Jung, In-Keun; Park, Sang-Chul; Bin, Sung-Ah; Roh, Young Sup; Lee, John Hwan; Kim, Boo-Min

2016-03-01

The Maillard reaction has been well researched and used in the food industry and the fields of environmental science and organic chemistry. Here, we induced the Maillard reaction inside human hair and analyzed its effects by using Fourier transform infrared spectroscopy with a focal-plane array (FTIR-FPA) detector. We used arginine (A), glycine (G), and D-xylose (X) to generate the Maillard reaction by dissolving them in purified water and heating it to 150 °C. This label-free process generated a complex compound (named AGX after its ingredients) with a monomer structure, which was determined by using nuclear magnetic resonance (NMR) and FTIR-FPA. This compound was stable in hair and substantially increased its tensile strength. To our knowledge, we are the first to report the formation of this monomer in human hair, and our study provides insights into a new method that could be used to improve the condition of damaged or aging hair.

Identification of trace additives in polymer materials by attenuated total reflection Fourier transform infrared mapping coupled with multivariate curve resolution

NASA Astrophysics Data System (ADS)

Li, Qian; Tang, Yongjiao; Yan, Zhiwei; Zhang, Pudun

2017-06-01

Although multivariate curve resolution (MCR) has been applied to the analysis of Fourier transform infrared (FTIR) imaging, it is still problematic to determine the number of components. The reported methods at present tend to cause the components of low concentration missed. In this paper a new idea was proposed to resolve this problem. First, MCR calculation was repeated by increasing the number of components sequentially, then each retrieved pure spectrum of as-resulted MCR component was directly compared with a real-world pixel spectrum of the local high concentration in the corresponding MCR map. One component was affirmed only if the characteristic bands of the MCR component had been included in its pixel spectrum. This idea was applied to attenuated total reflection (ATR)/FTIR mapping for identifying the trace additives in blind polymer materials and satisfactory results were acquired. The successful demonstration of this novel approach opens up new possibilities for analyzing additives in polymer materials.

Validation of enhanced stabilization of municipal solid waste under controlled leachate recirculation using FTIR and XRD.

PubMed

Sethi, Sapna; Kothiyal, N C; Nema, Arvind K

2012-07-01

Leachate recirculation at neutral PH accompanied with buffer/nutrients addition has been used successfully in earlier stabilization of municipal solid waste in bioreactor landfills. In the present study, efforts were made to enhance the stabilization rate of municipal solid waste (MSW) and organic solid waste (OSW) in simulated landfill bioreactors by controlling the pH of recirculated leachate towards slightly alkaline side in absence of additional buffer and nutrients addition. Enhanced stabilization in waste samples was monitored with the help of analytical tools like Fourier Transform Infrared Spectroscopy (FTIR) and X-Ray Diffraction (XRD). Predominance of bands assigned to inorganic compounds and comparatively lower intensities of bands for organic compounds in the FTIR spectra of waste samples degraded with leachate recirculation under controlled pH confirmed higher rate of biodegradation and mineralization of waste than the samples degraded without controlled leachate recirculation. XRD spectra also confirmed to a greater extent of mineralization in the waste samples degraded under leachate recirculation with controlled pH. Comparison of XRD spectra of two types of wastes pointed out higher degree of mineralization in organic solid waste as compared to municipal solid waste.

Classification of Swiss cheese starter and adjunct cultures using Fourier transform infrared microspectroscopy.

PubMed

Prabhakar, V; Kocaoglu-Vurma, N; Harper, J; Rodriguez-Saona, L

2011-09-01

The acceptability of Swiss cheese largely depends on the flavor profile, and strain variations of cheese cultures will affect the final quality. Conventional biochemical methods to identify the cultures at the strain level are time-consuming and expensive, and require skilled labor. Our objective was to develop rapid classification methods of starter cultures at the strain level by using a combination of hydrophobic grid membrane filters and Fourier transform infrared (FTIR) spectroscopy. Forty-four pulsed-field gel electrophoresis-verified strains of starter and nonstarter cultures including Streptococcus thermophilus, Propionibacterium freudenreichii, and Lactobacillus spp. were analyzed. The strains were grown on their respective agar media, transferred to broth media, and incubated. Then, cultures were centrifuged and the pellets were resuspended in saline solution (10 μL). Aliquots (2 μL) of the suspended bacterial solution were placed onto a grid of the hydrophobic grid membrane filters, having 6 grids per each strain analyzed. The dried filters were read by FTIR microspectroscopy fitted with an attenuated total reflectance probe. Collected spectra were statistically analyzed by a soft independent modeling of class analogy (SIMCA) for pattern recognition. Classification models were developed for Streptococcus thermophilus, Propionibacterium freudenreichii, and Lactobacillus spp. strains. The models showed major discrimination in the spectral region from 1,200 to 900 cm(-1) associated with signals from phosphate-containing compounds and various polysaccharides in the cell wall. The developed method allowed for rapid classification of several Swiss cheese starter and nonstarter cultures at the strain level. This information provides a detailed overview of microbiological status, which would enable corrective measures to be taken early in the cheese making process, limiting production of inferior quality cheese and minimizing defects. This method could be an

Application of Fourier transform infrared (FTIR) spectroscopy for the identification of wheat varieties.

PubMed

Amir, Rai Muhammad; Anjum, Faqir Muhammad; Khan, Muhammad Issa; Khan, Moazzam Rafiq; Pasha, Imran; Nadeem, Muhammad

2013-10-01

Quality characteristics of wheat are determined by different physiochemical and rheological analysis by using different AACC methods. AACC methods are expensive, time consuming and cause destruction of samples. Fourier transforms infrared (FTIR) spectroscopy is one of the most important and emerging tool used for analyzing wheat for different quality parameters. This technique is rapid and sensitive with a great variety of sampling techniques. In the present study different wheat varieties were analyzed for quality assessment and were also characterized by using AACC methods and FTIR technique. The straight grade flour was analyzed for physical, chemical and rheological properties by standard methods and results were obtained. FTIR works on the basis of functional groups and provide information in the form of peaks. On basis of peaks the value of moisture, protein, fat, ash, carbohydrates and hardness of grain were determined. Peaks for water were observed in the range 1,640 cm(-1) and 3,300 cm(-1) on the basis of functional group H and OH. Protein was observed in the range from 1,600 cm(-1) to 1,700 cm(-1) and 1,550 cm(-1) to 1,570 cm(-1) on the basis of bond amide I and amide II respectively. Fat was also observed within these ranges but on the basis of C-H bond and also starch was observed in the range from 2,800 and 3,000 cm(-1) (C-H stretch region) and in the range 3,000 and 3,600 cm(-1) (O-H stretch region). As FTIR is a fast tool it can be easily emplyed for wheat varieties identification according to a set criterion.

Development of Fourier transform mid-infrared calibrations to predict acetone, β-hydroxybutyrate, and citrate contents in bovine milk through a European dairy network.

PubMed

Grelet, C; Bastin, C; Gelé, M; Davière, J-B; Johan, M; Werner, A; Reding, R; Fernandez Pierna, J A; Colinet, F G; Dardenne, P; Gengler, N; Soyeurt, H; Dehareng, F

2016-06-01

To manage negative energy balance and ketosis in dairy farms, rapid and cost-effective detection is needed. Among the milk biomarkers that could be useful for this purpose, acetone and β-hydroxybutyrate (BHB) have been proved as molecules of interest regarding ketosis and citrate was recently identified as an early indicator of negative energy balance. Because Fourier transform mid-infrared spectrometry can provide rapid and cost-effective predictions of milk composition, the objective of this study was to evaluate the ability of this technology to predict these biomarkers in milk. Milk samples were collected in commercial and experimental farms in Luxembourg, France, and Germany. Acetone, BHB, and citrate contents were determined by flow injection analysis. Milk mid-infrared spectra were recorded and standardized for all samples. After edits, a total of 548 samples were used in the calibration and validation data sets for acetone, 558 for BHB, and 506 for citrate. Acetone content ranged from 0.020 to 3.355mmol/L with an average of 0.103mmol/L; BHB content ranged from 0.045 to 1.596mmol/L with an average of 0.215mmol/L; and citrate content ranged from 3.88 to 16.12mmol/L with an average of 9.04mmol/L. Acetone and BHB contents were log-transformed and a part of the samples with low values was randomly excluded to approach a normal distribution. The 3 edited data sets were then randomly divided into a calibration data set (3/4 of the samples) and a validation data set (1/4 of the samples). Prediction equations were developed using partial least square regression. The coefficient of determination (R(2)) of cross-validation was 0.73 for acetone, 0.71 for BHB, and 0.90 for citrate with root mean square error of 0.248, 0.109, and 0.70mmol/L, respectively. Finally, the external validation was performed and R(2) obtained were 0.67 for acetone, 0.63 for BHB, and 0.86 for citrate, with respective root mean square error of validation of 0.196, 0.083, and 0.76mmol/L. Although

Near-infrared Fourier-transform and millimeterwave spectra of the BiS radical

NASA Astrophysics Data System (ADS)

Izumi, K.; Cohen, E. A.; Setzer, K. D.; Fink, E. H.; Kawaguchi, K.

2008-12-01

This paper reports the 6400-7400 cm -1 Fourier-transform (FT) near-infrared (NIR) emission spectrum of the BiS X22Π 3/2 → X12Π 1/2 fine structure bands as well as the millimeterwave rotational spectrum of the X12Π 1/2 state. For the FTNIR observations, BiS was produced by reaction of bismuth with sulfur vapor and excited by energy transfer from metastable oxygen, O 2( a1Δ g), in a fast-flow system. As was the case for BiO [O. Shestakov, R. Breidohr, H. Demes, K.D. Setzer, E.H. Fink, J. Mol. Spectrosc. 190 (1998) 28-77], the 0.5 cm -1resolution spectrum revealed a number of strong bands in the Δv = 0 and ±1 sequences which showed perturbed band spacings, band shapes, and intensities due to avoided crossing of the X22Π 3/2 and A14Π 3/2 potential curves for v' ⩾ 4 of X22Π 3/2. The millimeterwave rotational spectrum of BiS in its X12Π 1/2 state was observed when BiS was produced in a high-temperature oven by a discharge in a mixture of Bi vapor and CS 2. The signal to noise ratio was markedly improved by using a White-type multipath cell. Ninety seven features from J' = 23.5 to J' = 41.5 were measured between 150 and 300 GHz. Analysis of the 0.5 cm -1 resolution FT spectrum yielded the fine structure splitting and vibrational constants of the states. A simultaneous analysis of millimeterwave and a 0.005 cm -1 FT spectrum of the 0-0 band of the NIR system was carried out to give precise rotational, fine, and hyperfine constants for the X12Π 1/2 and X22Π 3/2 states. The results are consistent with those reported earlier for BiO and indicate only a slight decrease in the unpaired electron density in the 6p(π ∗) orbital on the Bi atom.

Detailed faecal fat analysis using Fourier transform infrared spectroscopy: Exploring the possibilities.

PubMed

De Koninck, Anne-Sophie; Nys, Karen; Vandenheede, Brent; Van Biervliet, Stephanie; Speeckaert, Marijn M; Delanghe, Joris R

2016-11-01

Fourier transform infrared (FTIR) spectroscopic determination of faecal fat is a simple and elegant alternative for the classical Van De Kamer approach. Besides quantification of the total amount of fat, analysis of the lipase hydrolysis efficiency (fatty acid/triglyceride ratio), fatty acid chain length and trans-unsaturated fatty acids could provide a better monitoring of dietary treatment. Stool samples (26 routine samples and 36 cystic fibrosis patients) were analysed with the Perkin Elmer Spectrum Two® spectrometer (3500-450cm -1 ). Fatty acid/triglyceride ratio was calculated using the absorbance ratio at 2855:1746cm -1 . To estimate lipase hydrolysis efficiency, sample ratios were compared with the ratio of butter and pure free fatty acids. Mean fatty acid chain length was calculated using the absorbance ratio at 2855:1709cm -1 . The absorbance at 966cm -1 was used to trace the presence of trans-type unsaturated fatty acids. Butter showed a low fatty acid/triglyceride ratio (1.21) and pure free fatty acids a high fatty acid/triglyceride ratio (6.76). Mean fatty acid/triglyceride ratio of routine stool samples was 4.16±1.01. The applicability of fatty acid/triglyceride ratios was also tested in cystic fibrosis patients under treatment with a mean of 4.92±0.98. Relative absorbance contribution per carbon atom was 0.06 (ratio 1.06 for C18 standard, 0.91 for C16 standard). The mean ratio of the stool samples was 1.12 (mean acyl chain length of C19), with values ranging from 0.73 (C12) to 1.68 (C28). The presence of traceable amounts of trans-unsaturated fatty acids was also demonstrated. For the analysis of faecal material, FTIR provides unique information, difficult to obtain using other techniques. These findings offer perspectives for diet monitoring in patients with (non-)pancreatic malabsorption. Copyright © 2016 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

Multichannel Dynamic Fourier-Transform IR Spectrometer

NASA Astrophysics Data System (ADS)

Balashov, A. A.; Vaguine, V. A.; Golyak, Il. S.; Morozov, A. N.; Khorokhorin, A. I.

2017-09-01

A design of a multichannel continuous scan Fourier-transform IR spectrometer for simultaneous recording and analysis of the spectral characteristics of several objects is proposed. For implementing the design, a multi-probe fiber is used, constructed from several optical fibers connected into a single optical connector and attached at the output of the interferometer. The Fourier-transform spectrometer is used as a signal modulator. Each fiber is individually mated with an investigated sample and a dedicated radiation detector. For the developed system, the radiation intensity of the spectrometer is calculated from the condition of the minimum spectral resolution and parameters of the optical fibers. Using the proposed design, emission spectra of a gas-discharge neon lamp have been recorded using a single fiber 1 mm in diameter with a numerical aperture NA = 0.22.

Low-level laser therapy on MCF-7 cells: a micro-Fourier transform infrared spectroscopy study.

PubMed

Magrini, Taciana D; dos Santos, Nathalia Villa; Milazzotto, Marcella Pecora; Cerchiaro, Giselle; da Silva Martinho, Herculano

2012-10-01

Low-level laser therapy (LLLT) is an emerging therapeutic approach for several clinical conditions. The clinical effects induced by LLLT presumably scale from photobiostimulation/photobioinhibition at the cellular level to the molecular level. The detailed mechanism underlying this effect remains unknown. This study quantifies some relevant aspects of LLLT related to molecular and cellular variations. Malignant breast cells (MCF-7) were exposed to spatially filtered light from a He-Ne laser (633 nm) with fluences of 5, 28.8, and 1000  mJ/cm². The cell viability was evaluated by optical microscopy using the Trypan Blue viability test. The micro-Fourier transform infrared technique was employed to obtain the vibrational spectra of each experimental group (control and irradiated) and identify the relevant biochemical alterations that occurred due to the process. It was observed that the red light influenced the RNA, phosphate, and serine/threonine/tyrosine bands. We found that light can influence cell metabolism depending on the laser fluence. For 5  mJ/cm², MCF-7 cells suffer bioinhibition with decreased metabolic rates. In contrast, for the 1  J/cm² laser fluence, cells present biostimulation accompanied by a metabolic rate elevation. Surprisingly, at the intermediate fluence, 28.8  mJ/cm², the metabolic rate is increased despite the absence of proliferative results. The data were interpreted within the retrograde signaling pathway mechanism activated with light irradiation.

Analysis of hard-to-cook red and black common beans using Fourier transform infrared spectroscopy.

PubMed

Maurer, Giselle A; Ozen, Banu F; Mauer, Lisa J; Nielsen, S Suzanne

2004-03-24

Extracted fractions from black and red common beans (Phaseolus vulgaris) were studied using Fourier transform infrared spectroscopy (FT-IR). Beans were stored under three conditions: control at 4 degrees C; hard-to-cook (HTC) at 29 degrees C, 65% RH for 3.5 months; and refrigerated at 2 degrees C, 79% RH for 3.5 months after a HTC period (called HTC-refrigerated). Two fractions isolated from the beans, the soluble pectin fraction (SPF) and the water insoluble residue of the cell wall (WIRCW), were analyzed using diffuse reflectance (DRIFTS) FT-IR. The soaking water and cooking water from the beans were also studied using attenuated total reflectance (ATR) FT-IR. The DRIFTS FT-IR results from the SPF and WIRCW fractions were consistent with previously published data for Carioca beans showing that in general, more phenolic compounds were associated with the SPF of HTC beans than in the control beans. Results also showed that HTC-refrigerated beans had higher concentrations of phenolic compounds than control beans in the SPF. The ATR FT-IR results for soaking and cooking waters from the HTC-refrigerated and HTC beans had higher concentrations of absorbing compounds than the control beans, indicating that they lost more constituents to the water. Additionally, results indicate that the mechanism(s) for reversibility of the HTC defect could be different than the one(s) involved in the development of the defect.

Investigating the bioavailability of graphene quantum dots in lung tissues via Fourier transform infrared spectroscopy.

PubMed

Tabish, Tanveer A; Lin, Liangxu; Ali, Muhammad; Jabeen, Farhat; Ali, Muhammad; Iqbal, Rehana; Horsell, David W; Winyard, Paul G; Zhang, Shaowei

2018-06-06

Biomolecular fractions affect the fate and behaviour of quantum dots (QDs) in living systems but how the interactions between biomolecules and QDs affect the bioavailability of QDs is a major knowledge gap in risk assessment analysis. The transport of QDs after release into a living organism is a complex process. The majority accumulate in the lungs where they can directly affect the inhalation process and lung architecture. Here, we investigate the bioavailability of graphene quantum dots (GQDs) to the lungs of rats by measuring the alterations in macromolecular fractions via Fourier transform infrared spectroscopy (FTIR). GQDs were intravenously injected into the rats in a dose-dependent manner (low (5 mg kg -1 ) and high (15 mg kg -1 ) doses of GQDs per body weight of rat) for 7 days. The lung tissues were isolated, processed and haematoxylin-eosin stained for histological analysis to identify cell death. Key biochemical differences were identified by spectral signatures: pronounced changes in cholesterol were found in two cases of low and high doses; a change in phosphorylation profile of substrate proteins in the tissues was observed in low dose at 24 h. This is the first time biomolecules have been measured in biological tissue using FTIR to investigate the biocompatibility of foreign material. We found that highly accurate toxicological changes can be investigated with FTIR measurements of tissue sections. As a result, FTIR could form the basis of a non-invasive pre-diagnostic tool for predicting the toxicity of GQDs.

Stereochemistry of quinoxaline antagonist binding to a glutamate receptor investigated by Fourier transform infrared spectroscopy.

PubMed

Madden, D R; Thiran, S; Zimmermann, H; Romm, J; Jayaraman, V

2001-10-12

The stereochemistry of the interactions between quinoxaline antagonists and the ligand-binding domain of the glutamate receptor 4 (GluR4) have been investigated by probing their vibrational modes using Fourier transform infrared spectroscopy. In solution, the electron-withdrawing nitro groups of both compounds establish a resonance equilibrium that appears to stabilize the keto form of one of the cyclic amide carbonyl bonds. Changes in the 6,7-dinitro-2,3-dihydroxyquinoxaline vibrational spectra on binding to the glutamate receptor, interpreted within the framework of a published crystal structure, illuminate the stereochemistry of the interaction and suggest that the binding site imposes a more polarized electronic bonding configuration on this antagonist. Similar spectral changes are observed for 6-cyano-7-dinitro-2,3-dihydroxyquinoxaline, confirming that its interactions with the binding site are highly similar to those of 6,7-dinitro-2,3-dihydroxyquinoxaline and leading to a model of the 6-cyano-7-dinitro-2,3-dihydroxyquinoxaline-S1S2 complex, for which no crystal structure is available. Conformational changes within the GluR ligand binding domain were also monitored. Compared with the previously reported spectral changes seen on binding of the agonist glutamate, only a relatively small change is detected on antagonist binding. This correlation between the functional effects of different classes of ligand and the magnitude of the spectroscopic changes they induce suggests that the spectral data reflect physiologically relevant conformational processes.

Using Fourier transform infrared spectroscopy to evaluate biological effects induced by photodynamic therapy.

PubMed

Lima, Cassio A; Goulart, Viviane P; Correa, Luciana; Zezell, Denise M

2016-07-01

Vibrational spectroscopic methods associated with multivariate statistical techniques have been succeeded in discriminating skin lesions from normal tissues. However, there is no study exploring the potential of these techniques to assess the alterations promoted by photodynamic effect in tissue. The present study aims to demonstrate the ability of Fourier Transform Infrared (FTIR) spectroscopy on Attenuated total reflection (ATR) sampling mode associated with principal component-linear discriminant analysis (PC-LDA) to evaluate the biochemical changes caused by photodynamic therapy (PDT) in skin neoplastic tissue. Cutaneous neoplastic lesions, precursors of squamous cell carcinoma (SCC), were chemically induced in Swiss mice and submitted to a single session of 5-aminolevulinic acid (ALA)-mediated PDT. Tissue sections with 5 μm thickness were obtained from formalin-fixed paraffin-embedded (FFPE) and processed prior to the histopathological analysis and spectroscopic measurements. Spectra were collected in mid-infrared region using a FTIR spectrometer on ATR sampling mode. Principal Component-Linear Discriminant Analysis (PC-LDA) was applied on preprocessed second derivatives spectra. Biochemical changes were assessed using PCA-loadings and accuracy of classification was obtained from PC-LDA . Sub-bands of Amide I (1,624 and 1,650 cm(-1) ) and Amide II (1,517 cm(-1) ) indicated a protein overexpression in non-treated and post-PDT neoplastic tissue compared with healthy skin, as well as a decrease in collagen fibers (1,204, 1,236, 1,282, and 1,338 cm(-1) ) and glycogen (1,028, 1,082, and 1,151 cm(-1) ) content. Photosensitized neoplastic tissue revealed shifted peak position and decreased β-sheet secondary structure of proteins (1,624 cm(-1) ) amount in comparison to non-treated neoplastic lesions. PC-LDA score plots discriminated non-treated neoplastic skin spectra from post-PDT cutaneous lesions with accuracy of 92.8%, whereas non-treated neoplastic

Fourier Transform Infrared (FTIR) Spectroscopy, Ultraviolet Resonance Raman (UVRR) Spectroscopy, and Atomic Force Microscopy (AFM) for Study of the Kinetics of Formation and Structural Characterization of Tau Fibrils.

PubMed

Ramachandran, Gayathri

2017-01-01

Kinetic studies of tau fibril formation in vitro most commonly employ spectroscopic probes such as thioflavinT fluorescence and laser light scattering or negative stain transmission electron microscopy. Here, I describe the use of Fourier transform infrared (FTIR) spectroscopy, ultraviolet resonance Raman (UVRR) spectroscopy, and atomic force microscopy (AFM) as complementary probes for studies of tau aggregation. The sensitivity of vibrational spectroscopic techniques (FTIR and UVRR) to secondary structure content allows for measurement of conformational changes that occur when the intrinsically disordered protein tau transforms into cross-β-core containing fibrils. AFM imaging serves as a gentle probe of structures populated over the time course of tau fibrillization. Together, these assays help further elucidate the structural and mechanistic complexity inherent in tau fibril formation.

The Fourier transforms for the spatially homogeneous Boltzmann equation and Landau equation

NASA Astrophysics Data System (ADS)

Meng, Fei; Liu, Fang

2018-03-01

In this paper, we study the Fourier transforms for two equations arising in the kinetic theory. The first equation is the spatially homogeneous Boltzmann equation. The Fourier transform of the spatially homogeneous Boltzmann equation has been first addressed by Bobylev (Sov Sci Rev C Math Phys 7:111-233, 1988) in the Maxwellian case. Alexandre et al. (Arch Ration Mech Anal 152(4):327-355, 2000) investigated the Fourier transform of the gain operator for the Boltzmann operator in the cut-off case. Recently, the Fourier transform of the Boltzmann equation is extended to hard or soft potential with cut-off by Kirsch and Rjasanow (J Stat Phys 129:483-492, 2007). We shall first establish the relation between the results in Alexandre et al. (2000) and Kirsch and Rjasanow (2007) for the Fourier transform of the Boltzmann operator in the cut-off case. Then we give the Fourier transform of the spatially homogeneous Boltzmann equation in the non cut-off case. It is shown that our results cover previous works (Bobylev 1988; Kirsch and Rjasanow 2007). The second equation is the spatially homogeneous Landau equation, which can be obtained as a limit of the Boltzmann equation when grazing collisions prevail. Following the method in Kirsch and Rjasanow (2007), we can also derive the Fourier transform for Landau equation.

Application of point-to-point matching algorithms for background correction in on-line liquid chromatography-Fourier transform infrared spectrometry (LC-FTIR).

PubMed

Kuligowski, J; Quintás, G; Garrigues, S; de la Guardia, M

2010-03-15

A new background correction method for the on-line coupling of gradient liquid chromatography and Fourier transform infrared spectrometry has been developed. It is based on the use of a point-to-point matching algorithm that compares the absorption spectra of the sample data set with those of a previously recorded reference data set in order to select an appropriate reference spectrum. The spectral range used for the point-to-point comparison is selected with minimal user-interaction, thus facilitating considerably the application of the whole method. The background correction method has been successfully tested on a chromatographic separation of four nitrophenols running acetonitrile (0.08%, v/v TFA):water (0.08%, v/v TFA) gradients with compositions ranging from 35 to 85% (v/v) acetonitrile, giving accurate results for both, baseline resolved and overlapped peaks. Copyright (c) 2009 Elsevier B.V. All rights reserved.

Some critical aspects of FT-IR, TGA, powder XRD, EDAX and SEM studies of calcium oxalate urinary calculi.

PubMed

Joshi, Vimal S; Vasant, Sonal R; Bhatt, J G; Joshi, Mihir J

2014-06-01

Urinary calculi constitute one of the oldest afflictions of humans as well as animals, which are occurring globally. The calculi vary in shape, size and composition, which influence their clinical course. They are usually of the mixed-type with varying percentages of the ingredients. In medical management of urinary calculi, either the nature of calculi is to be known or the exact composition of calculi is required. In the present study, two selected calculi were recovered after surgery from two different patients for detailed examination and investigated by using Fourier-Transform infrared spectroscopy (FT-IR), thermo-gravimetric analysis (TGA), powder X-ray diffraction (XRD), scanning electron microscopy and energy dispersive analysis of X-rays (EDAX) techniques. The study demonstrated that the nature of urinary calculi and presence of major phase in mixed calculi could be identified by FT-IR, TGA and powder XRD, however, the exact content of various elements could be found by EDAX only.

Fourier transform-wavefront reconstruction for the pyramid wavefront sensor

NASA Astrophysics Data System (ADS)

Quirós-Pacheco, Fernando; Correia, Carlos; Esposito, Simone

The application of Fourier-transform reconstruction techniques to the pyramid wavefront sensor has been investigated. A preliminary study based on end-to-end simulations of an adaptive optics system with ≈40x40 subapertures and actuators shows that the performance of the Fourier-transform reconstructor (FTR) is of the same order of magnitude than the one obtained with a conventional matrix-vector multiply (MVM) method.

Differentiation of Asian ginseng, American ginseng and Notoginseng by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy

NASA Astrophysics Data System (ADS)

Lu, Guang-hua; Zhou, Qun; Sun, Su-qin; Leung, Kelvin Sze-yin; Zhang, Hao; Zhao, Zhong-zhen

2008-07-01

The herbal materials of Asian ginseng (the root of Panax ginseng), American ginseng (the root of Panax quinquefolius) and Notoginseng (the root of Panax notoginseng) were differentiated by conventional Fourier transform infrared spectroscopy (1D-FTIR) and two-dimensional (2D) correlation FTIR applying a thermal perturbation. Altogether 30 samples were collected and analyzed. Their entire 1D-FTIR spectra in the range of 4000-400 cm -1 and 2D-FTIR spectra in the region of 850-1530 cm -1 were generally similar based on the peaks position and intensities. This indicated the chemical constituents in these species of herbs were not distinctively different. However, variation in peak intensity were observed at about 1640 cm -1, 1416 cm -1, 1372 cm -1 and 1048 cm -1 in the 1D-FTIR spectra among these species for their ease differentiation. Clustering analysis of 1D-FTIR showed that these species located in different clusters. Much difference in their second derivative FTIR pattern among the three species also provided information for easy differentiation. These species of herbs were further identified based on the positions and intensities of relatively strong auto-peaks, positive or negative cross-peaks in their 2D-FTIR spectra. The findings provide a rapid and new operational procedure for the differentiation of these notable herbs. The visual and colorful 2D-FTIR spectra can provide dynamic structural information of chemical components in analyte and demonstrated as a powerful and useful approach for herbs identification.

Depth-Dependent Anisotropies of Amides and Sugar in Perpendicular and Parallel Sections of Articular Cartilage by Fourier Transform Infrared Imaging (FTIRI)

PubMed Central

Xia, Yang; Mittelstaedt, Daniel; Ramakrishnan, Nagarajan; Szarko, Matthew; Bidthanapally, Aruna

2010-01-01

Full thickness blocks of canine humeral cartilage were microtomed into both perpendicular sections and a series of 100 parallel sections, each 6 μm thick. Fourier Transform Infrared Imaging (FTIRI) was used to image each tissue section eleven times under different infrared polarizations (from 0° to 180° polarization states in 20° increments and with an additional 90° polarization), at a spatial resolution of 6.25 μm and a wavenumber step of 8 cm−1. With increasing depth from the articular surface, amide anisotropies increased in the perpendicular sections and decreased in the parallel sections. Both types of tissue sectioning identified a 90° difference between amide I and amide II in the superficial zone of cartilage. The fibrillar distribution in the parallel sections from the superficial zone was shown to not be random. Sugar had the greatest anisotropy in the upper part of the radial zone in the perpendicular sections. The depth-dependent anisotropic data were fitted with a theoretical equation that contained three signature parameters, which illustrate the arcade structure of collagens with the aid of a fibril model. Infrared imaging of both perpendicular and parallel sections provides the possibility of determining the three-dimensional macromolecular structures in articular cartilage. Being sensitive to the orientation of the macromolecular structure in healthy articular cartilage aids the prospect of detecting the early onset of the tissue degradation that may lead to pathological conditions such as osteoarthritis. PMID:21274999

Analysis of the coriolis interaction of the ν12 band with 2 ν10 of cis-d 2-ethylene by high-resolution Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Goh, K. L.; Tan, T. L.; Ong, P. P.; Teo, H. H.

2000-08-01

The Fourier transform infrared spectrum of the ν12 band of cis-d 2-ethylene ( cis-C 2H 2D 2) has been recorded with an unapodized resolution of 0.0024 cm -1 in the frequency range of 1280-1400 cm -1. This band was found to be mutually coupled by Coriolis interaction with the unobserved 2 ν10 band situated approximately 10 cm -1 below ν12. By fitting a total of 771 infrared transitions of ν12 with a standard deviation of 0.00075 cm -1 using the Watson's Hamiltonian with the inclusion of a c-type Coriolis resonance term, a set of accurate rovibrational constants for V 12=1 state was derived. The ν12 band is A type with a band centre at 1341.1512±0.0001 cm -1. Accurate rovibrational constants for the V 10=2 state were also derived.

Analysis of Moisture Content in Beetroot using Fourier Transform Infrared Spectroscopy and by Principal Component Analysis.

PubMed

Nesakumar, Noel; Baskar, Chanthini; Kesavan, Srinivasan; Rayappan, John Bosco Balaguru; Alwarappan, Subbiah

2018-05-22

The moisture content of beetroot varies during long-term cold storage. In this work, we propose a strategy to identify the moisture content and age of beetroot using principal component analysis coupled Fourier transform infrared spectroscopy (FTIR). Frequent FTIR measurements were recorded directly from the beetroot sample surface over a period of 34 days for analysing its moisture content employing attenuated total reflectance in the spectral ranges of 2614-4000 and 1465-1853 cm -1 with a spectral resolution of 8 cm -1 . In order to estimate the transmittance peak height (T p ) and area under the transmittance curve [Formula: see text] over the spectral ranges of 2614-4000 and 1465-1853 cm -1 , Gaussian curve fitting algorithm was performed on FTIR data. Principal component and nonlinear regression analyses were utilized for FTIR data analysis. Score plot over the ranges of 2614-4000 and 1465-1853 cm -1 allowed beetroot quality discrimination. Beetroot quality predictive models were developed by employing biphasic dose response function. Validation experiment results confirmed that the accuracy of the beetroot quality predictive model reached 97.5%. This research work proves that FTIR spectroscopy in combination with principal component analysis and beetroot quality predictive models could serve as an effective tool for discriminating moisture content in fresh, half and completely spoiled stages of beetroot samples and for providing status alerts.

Fourier Transforms of Pulses Containing Exponential Leading and Trailing Profiles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Warshaw, S I

2001-07-15

In this monograph we discuss a class of pulse shapes that have exponential rise and fall profiles, and evaluate their Fourier transforms. Such pulses can be used as models for time-varying processes that produce an initial exponential rise and end with the exponential decay of a specified physical quantity. Unipolar examples of such processes include the voltage record of an increasingly rapid charge followed by a damped discharge of a capacitor bank, and the amplitude of an electromagnetic pulse produced by a nuclear explosion. Bipolar examples include acoustic N waves propagating for long distances in the atmosphere that have resultedmore » from explosions in the air, and sonic booms generated by supersonic aircraft. These bipolar pulses have leading and trailing edges that appear to be exponential in character. To the author's knowledge the Fourier transforms of such pulses are not generally well-known or tabulated in Fourier transform compendia, and it is the purpose of this monograph to derive and present these transforms. These Fourier transforms are related to a definite integral of a ratio of exponential functions, whose evaluation we carry out in considerable detail. From this result we derive the Fourier transforms of other related functions. In all Figures showing plots of calculated curves, the actual numbers used for the function parameter values and dependent variables are arbitrary and non-dimensional, and are not identified with any particular physical phenomenon or model.« less

Qualitative and quantitative analysis of ochratoxin A contamination in green coffee beans using Fourier transform near infrared spectroscopy.

PubMed

Taradolsirithitikul, Panchita; Sirisomboon, Panmanas; Dachoupakan Sirisomboon, Cheewanun

2017-03-01

Ochratoxin A (OTA) contamination is highly prevalent in a variety of agricultural products including the commercially important coffee bean. As such, rapid and accurate detection methods are considered necessary for the identification of OTA in green coffee beans. The goal of this research was to apply Fourier transform near infrared spectroscopy to detect and classify OTA contamination in green coffee beans in both a quantitative and qualitative manner. PLSR models were generated using pretreated spectroscopic data to predict the OTA concentration. The best model displayed a correlation coefficient (r) of 0.814, a standard error of prediction (SEP and bias of 1.965 µg kg -1 and 0.358 µg kg -1 , respectively. Additionally, a PLS-DA model was also generated, displaying a classification accuracy of 96.83% for a non-OTA contaminated model and 80.95% for an OTA contaminated model, with an overall classification accuracy of 88.89%. The results demonstrate that the developed model could be used for detecting OTA contamination in green coffee beans in either a quantitative or qualitative manner. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Probing specific molecular processes and intermediates by time-resolved Fourier transform infrared spectroscopy: application to the bacteriorhodopsin photocycle.

PubMed

Lórenz-Fonfría, Víctor A; Kandori, Hideki; Padrós, Esteve

2011-06-23

We present a general approach for probing the kinetics of specific molecular processes in proteins by time-resolved Fourier transform infrared (IR) spectroscopy. Using bacteriorhodopsin (bR) as a model we demonstrate that by appropriately monitoring some selected IR bands it is possible obtaining the kinetics of the most important events occurring in the photocycle, namely changes in the chromophore and the protein backbone conformation, and changes in the protonation state of the key residues implicated in the proton transfers. Besides confirming widely accepted views of the bR photocycle, our analysis also sheds light into some disputed issues: the degree of retinal torsion in the L intermediate to respect the ground state; the possibility of a proton transfer from Asp85 to Asp212; the relationship between the protonation/deprotonation of Asp85 and the proton release complex; and the timing of the protein backbone dynamics. By providing a direct way to estimate the kinetics of photocycle intermediates the present approach opens new prospects for a robust quantitative kinetic analysis of the bR photocycle, which could also benefit the study of other proteins involved in photosynthesis, in phototaxis, or in respiratory chains.

Modification of kaolinite surfaces through mechanochemical activation with quartz: A diffuse reflectance infrared fourier transform and chemometrics study.

PubMed

Carmody, Onuma; Frost, Ray L; Kristóf, János; Kokot, Serge; Kloprogge, J Theo; Makó, Eva

2006-12-01

Studies of kaolinite surfaces are of industrial importance. One useful method for studying the changes in kaolinite surface properties is to apply chemometric analyses to the kaolinite surface infrared spectra. A comparison is made between the mechanochemical activation of Kiralyhegy kaolinites with significant amounts of natural quartz and the mechanochemical activation of Zettlitz kaolinite with added quartz. Diffuse reflectance infrared Fourier transform (DRIFT) spectra were analyzed using principal component analysis (PCA) and multi-criteria decision making (MCDM) methods, the preference ranking organization method for enrichment evaluations (PROMETHEE) and geometrical analysis for interactive assistance (GAIA). The clear discrimination of the Kiralyhegy spectral objects on the two PC scores plots (400-800 and 800-2030 cm(-1)) indicated the dominance of quartz. Importantly, no ordering of any spectral objects appeared to be related to grinding time in the PC plots of these spectral regions. Thus, neither the kaolinite nor the quartz are systematically responsive to grinding time according to the spectral criteria investigated. The third spectral region (2600-3800 cm(-1), OH vibrations), showed apparent systematic ordering of the Kiralyhegy and, to a lesser extent, Zettlitz spectral objects with grinding time. This was attributed to the effect of the natural quartz on the delamination of kaolinite and the accompanying phenomena (i.e., formation of kaolinite spheres and water). The mechanochemical activation of kaolinite and quartz, through dry grinding, results in changes to the surface structure. Different grinding times were adopted to study the rate of destruction of the kaolinite and quartz structures. This relationship (i.e., grinding time) was classified using PROMETHEE and GAIA methodology.

Identification of spectral regions for the quantification of red wine tannins with fourier transform mid-infrared spectroscopy.

PubMed

Jensen, Jacob S; Egebo, Max; Meyer, Anne S

2008-05-28

Accomplishment of fast tannin measurements is receiving increased interest as tannins are important for the mouthfeel and color properties of red wines. Fourier transform mid-infrared spectroscopy allows fast measurement of different wine components, but quantification of tannins is difficult due to interferences from spectral responses of other wine components. Four different variable selection tools were investigated for the identification of the most important spectral regions which would allow quantification of tannins from the spectra using partial least-squares regression. The study included the development of a new variable selection tool, iterative backward elimination of changeable size intervals PLS. The spectral regions identified by the different variable selection methods were not identical, but all included two regions (1485-1425 and 1060-995 cm(-1)), which therefore were concluded to be particularly important for tannin quantification. The spectral regions identified from the variable selection methods were used to develop calibration models. All four variable selection methods identified regions that allowed an improved quantitative prediction of tannins (RMSEP = 69-79 mg of CE/L; r = 0.93-0.94) as compared to a calibration model developed using all variables (RMSEP = 115 mg of CE/L; r = 0.87). Only minor differences in the performance of the variable selection methods were observed.

Numerous applications of fiber optic evanescent wave Fourier transform infrared (FEW-FTIR) spectroscopy for subsurface structural analysis

NASA Astrophysics Data System (ADS)

Afanasyeva, Natalia I.; Welser, Leslie; Bruch, Reinhard F.; Kano, Angelique; Makhine, Volodymyr

1999-10-01

A new infrared (IR) interferometric method has been developed in conjunction with low-loss, flexible optical fibers, sensors, and probes. This combination of fiber optical sensors and Fourier Transform (FT) spectrometers can be applied to many fields, including (1) noninvasive medical diagnostics of cancer and other different diseases in vivo, (2) minimally invasive bulk diagnostics of tissue, (3) remote monitoring of tissue, chemical processes, and environment, (4) surface analysis of polymers and other materials, (5) characterization of the quality of food, pharmacological products, cosmetics, paper, and other wood-related products, as well as (6) agricultural, forensic, geological, mining, and archeological field measurements. In particular, our nondestructive, fast, compact, portable, remote and highly sensitive diagnostics tools are very promising for subsurface analysis at the molecular level without sample preparation. For example, this technique is ideal for different types of soft porous foams, rough polymers, and rock surfaces. Such surfaces, as well as living tissue, are very difficult to investigate by traditional FTIR methods. We present here FEW-FTIR spectra of polymers, banana and grapefruit peels, and living tissues detected directly at surfaces. In addition, results on the vibrational spectral analysis of normal and pathological skin tissue in the region of 850 - 4000 cm-1 are discussed.

Fourier transform infrared spectroscopy combined with chemometrics for discrimination of Curcuma longa, Curcuma xanthorrhiza and Zingiber cassumunar.

PubMed

Rohaeti, Eti; Rafi, Mohamad; Syafitri, Utami Dyah; Heryanto, Rudi

2015-02-25

Turmeric (Curcuma longa), java turmeric (Curcuma xanthorrhiza) and cassumunar ginger (Zingiber cassumunar) are widely used in traditional Indonesian medicines (jamu). They have similar color for their rhizome and possess some similar uses, so it is possible to substitute one for the other. The identification and discrimination of these closely-related plants is a crucial task to ensure the quality of the raw materials. Therefore, an analytical method which is rapid, simple and accurate for discriminating these species using Fourier transform infrared spectroscopy (FTIR) combined with some chemometrics methods was developed. FTIR spectra were acquired in the mid-IR region (4000-400 cm(-1)). Standard normal variate, first and second order derivative spectra were compared for the spectral data. Principal component analysis (PCA) and canonical variate analysis (CVA) were used for the classification of the three species. Samples could be discriminated by visual analysis of the FTIR spectra by using their marker bands. Discrimination of the three species was also possible through the combination of the pre-processed FTIR spectra with PCA and CVA, in which CVA gave clearer discrimination. Subsequently, the developed method could be used for the identification and discrimination of the three closely-related plant species. Copyright © 2014 Elsevier B.V. All rights reserved.

Fourier-transform infrared spectroscopy as a novel approach to providing effect-based endpoints in duckweed toxicity testing.

PubMed

Hu, Li-Xin; Ying, Guang-Guo; Chen, Xiao-Wen; Huang, Guo-Yong; Liu, You-Sheng; Jiang, Yu-Xia; Pan, Chang-Gui; Tian, Fei; Martin, Francis L

2017-02-01

Traditional duckweed toxicity tests only measure plant growth inhibition as an endpoint, with limited effects-based data. The present study aimed to investigate whether Fourier-transform infrared (FTIR) spectroscopy could enhance the duckweed (Lemna minor L.) toxicity test. Four chemicals (Cu, Cd, atrazine, and acetochlor) and 4 metal-containing industrial wastewater samples were tested. After exposure of duckweed to the chemicals, standard toxicity endpoints (frond number and chlorophyll content) were determined; the fronds were also interrogated using FTIR spectroscopy under optimized test conditions. Biochemical alterations associated with each treatment were assessed and further analyzed by multivariate analysis. The results showed that comparable x% of effective concentration (ECx) values could be achieved based on FTIR spectroscopy in comparison with those based on traditional toxicity endpoints. Biochemical alterations associated with different doses of toxicant were mainly attributed to lipid, protein, nucleic acid, and carbohydrate structural changes, which helped to explain toxic mechanisms. With the help of multivariate analysis, separation of clusters related to different exposure doses could be achieved. The present study is the first to show successful application of FTIR spectroscopy in standard duckweed toxicity tests with biochemical alterations as new endpoints. Environ Toxicol Chem 2017;36:346-353. © 2016 SETAC. © 2016 SETAC.

Application of Fourier transform near-infrared spectroscopy combined with high-performance liquid chromatography in rapid and simultaneous determination of essential components in crude Radix Scrophulariae.

PubMed

Li, Xiaomeng; Fang, Dansi; Cong, Xiaodong; Cao, Gang; Cai, Hao; Cai, Baochang

2012-12-01

A method is described using rapid and sensitive Fourier transform near-infrared spectroscopy combined with high-performance liquid chromatography-diode array detection for the simultaneous identification and determination of four bioactive compounds in crude Radix Scrophulariae samples. Partial least squares regression is selected as the analysis type and multiplicative scatter correction, second derivative, and Savitzky-Golay filter were adopted for the spectral pretreatment. The correlation coefficients (R) of the calibration models were above 0.96 and the root mean square error of predictions were under 0.028. The developed models were applied to unknown samples with satisfactory results. The established method was validated and can be applied to the intrinsic quality control of crude Radix Scrophulariae.

Modeling Microalgal Biosediment Formation Based on Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Monitoring.

PubMed

Ogburn, Zachary L; Vogt, Frank

2018-03-01

With increasing amounts of anthropogenic pollutants being released into ecosystems, it becomes ever more important to understand their fate and interactions with living organisms. Microalgae play an important ecological role as they are ubiquitous in marine environments and sequester inorganic pollutants which they transform into organic biomass. Of particular interest in this study is their role as a sink for atmospheric CO 2 , a greenhouse gas, and nitrate, one cause of harmful algal blooms. Novel chemometric hard-modeling methodologies have been developed for interpreting phytoplankton's chemical and physiological adaptations to changes in their growing environment. These methodologies will facilitate investigations of environmental impacts of anthropogenic pollutants on chemical and physiological properties of marine microalgae (here: Nannochloropsis oculata). It has been demonstrated that attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can gain insights into both and this study only focuses on the latter. From time-series of spectra, the rate of microalgal biomass settling on top of a horizontal ATR element is derived which reflects several of phytoplankton's physiological parameters such as growth rate, cell concentrations, cell size, and buoyancy. In order to assess environmental impacts on such parameters, microalgae cultures were grown under 25 different chemical scenarios covering 200-600 ppm atmospheric CO 2 and 0.35-0.75 mM dissolved NO 3 - . After recording time-series of ATR FT-IR spectra, a multivariate curve resolution-alternating least squares (MCR-ALS) algorithm extracted spectroscopic and time profiles from each data set. From the time profiles, it was found that in the considered concentration ranges only NO 3 - has an impact on the cells' physiological properties. In particular, the cultures' growth rate has been influenced by the ambient chemical conditions. Thus, the presented spectroscopic�

Fourier-transform and global contrast interferometer alignment methods

DOEpatents

Goldberg, Kenneth A.

2001-01-01

Interferometric methods are presented to facilitate alignment of image-plane components within an interferometer and for the magnified viewing of interferometer masks in situ. Fourier-transforms are performed on intensity patterns that are detected with the interferometer and are used to calculate pseudo-images of the electric field in the image plane of the test optic where the critical alignment of various components is being performed. Fine alignment is aided by the introduction and optimization of a global contrast parameter that is easily calculated from the Fourier-transform.

Identification of the sex pheromone secreted by a nettle moth, Monema flavescens, using gas chromatography/fourier transform infrared spectroscopy.

PubMed

Shibasaki, Hiroshi; Yamamoto, Masanobu; Yan, Qi; Naka, Hideshi; Suzuki, Toshiro; Ando, Tetsu

2013-03-01

The nettle moth Monema flavescens (Limacodidae) is a defoliator of fruit trees, such as Chinese plum and persimmon. The larvae of this species have spines containing a poison that causes serious irritation and inflammation in humans. Coupled gas chromatography-electroantennogram detection and gas chromatography/mass spectrometry analyses of a crude pheromone extract, combined with derivatization, indicated that female moths produced 8-decen-1-ol and 7,9-decadien-1-ol at a ratio of approximately 9:1. The E configuration of the double bonds was assigned for both components from infrared spectra, recorded on a gas chromatograph/Fourier transform-infrared spectrophotometer equipped with a zinc selenide disk cooled to -30 °C. The monoenyl and dienyl alcohols had absorptions characteristic of E geometry at 966 and 951 cm(-1), respectively. A band chromatogram at 951 cm(-1) was useful for distinguishing geometric isomers, because terminal conjugated diene are difficult to resolve, even on high polarity columns. Furthermore, we identified the Z configuration of the same 7,9-dienyl alcohol secreted by another nettle moth, Parasa lepida lepida, through the absence of this absorption. In field trials, lures baited with a 9:1 mixture of (E)-8-decen-1-ol and (E)-7,9-decadien-1-ol attracted M. flavescens males. Furthermore, the field trials indicated that contamination with the (Z)-diene reduced catches to the pheromone mixture more than did contamination with the (Z)-monoene.

Qualitative Assessment of Soil Carbon in a Rehabilitated Forest Using Fourier Transform Infrared Spectroscopy

PubMed Central

Ch'ng, Huck-Ywih; Ahmed, Osumanu Haruna; Ab. Majid, Nik Muhamad

2011-01-01

Logging and poor shifting cultivation negatively affect initial soil carbon (C) storage, especially at the initial stage of deforestation, as these practices lead to global warming. As a result, an afforestation program is needed to mitigate this problem. This study assessed initial soil C buildup of rehabilitated forests using Fourier transform infrared (FTIR) spectroscopy. The relatively high E4/E6 values of humic acids (HAs) in the rehabilitated forest indicate prominence of aliphatic components, suggesting that the HAs were of low molecular weight. The total acidity, carboxylic (-COOH) and phenolic (-OH) of the rehabilitated forest were found to be consistent with the ranges reported by other researchers. The spectra of all locations were similar because there was no significant difference in the quantities of C in humic acids (CHA) regardless of forest age and soil depth. The spectra showed distinct absorbance at 3290, 1720, 1630, 1510, 1460, 1380, and 1270 cm-1. Increase of band at 1630 and 1510 cm-1 from 0–20 to 40–60 cm were observed, suggesting C buildup from the lowest depths 20–40 and 40–60 cm. However, the CHA content in the soil depths was not different. The band at 1630 cm-1 was assigned to carboxylic and aromatic groups. Increase in peak intensity at 1510 cm-1 was because C/N ratio increased with increasing soil depth. This indicates that decomposition rate decreased with increasing soil depth and decreased with CHA. The finding suggests that FTIR spectroscopy enables the assessment of C composition functional group buildup at different depths and ages. PMID:21403973

Transient binding of CO to Cu(B) in cytochrome c oxidase is dynamically linked to structural changes around a carboxyl group: a time-resolved step-scan Fourier transform infrared investigation.

PubMed Central

Heitbrink, Dirk; Sigurdson, Håkan; Bolwien, Carsten; Brzezinski, Peter; Heberle, Joachim

2002-01-01

The redox-driven proton pump cytochrome c oxidase is that enzymatic machinery of the respiratory chain that transfers electrons from cytochrome c to molecular oxygen and thereby splits molecular oxygen to form water. To investigate the reaction mechanism of cytochrome c oxidase on the single vibrational level, we used time-resolved step-scan Fourier transform infrared spectroscopy and studied the dynamics of the reduced enzyme after photodissociation of bound carbon monoxide across the mid-infrared range (2300-950 cm(-1)). Difference spectra of the bovine complex were obtained at -20 degrees C with 5 micros time resolution. The data demonstrate a dynamic link between the transient binding of CO to Cu(B) and changes in hydrogen bonding at the functionally important residue E(I-286). Variation of the pH revealed that the pK(a) of E(I-286) is >9.3 in the fully reduced CO-bound oxidase. Difference spectra of cytochrome c oxidase from beef heart are compared with those of the oxidase isolated from Rhodobacter sphaeroides. The bacterial enzyme does not show the environmental change in the vicinity of E(I-286) upon CO dissociation. The characteristic band shape appears, however, in redox-induced difference spectra of the bacterial enzyme but is absent in redox-induced difference spectra of mammalian enzyme. In conclusion, it is demonstrated that the dynamics of a large protein complex such as cytochrome c oxidase can be resolved on the single vibrational level with microsecond Fourier transform infrared spectroscopy. The applied methodology provides the basis for future investigations of the physiological reaction steps of this important enzyme. PMID:11751290

Rapid update of discrete Fourier transform for real-time signal processing

NASA Astrophysics Data System (ADS)

Sherlock, Barry G.; Kakad, Yogendra P.

2001-10-01

In many identification and target recognition applications, the incoming signal will have properties that render it amenable to analysis or processing in the Fourier domain. In such applications, however, it is usually essential that the identification or target recognition be performed in real time. An important constraint upon real-time processing in the Fourier domain is the time taken to perform the Discrete Fourier Transform (DFT). Ideally, a new Fourier transform should be obtained after the arrival of every new data point. However, the Fast Fourier Transform (FFT) algorithm requires on the order of N log2 N operations, where N is the length of the transform, and this usually makes calculation of the transform for every new data point computationally prohibitive. In this paper, we develop an algorithm to update the existing DFT to represent the new data series that results when a new signal point is received. Updating the DFT in this way uses less computational order by a factor of log2 N. The algorithm can be modified to work in the presence of data window functions. This is a considerable advantage, because windowing is often necessary to reduce edge effects that occur because the implicit periodicity of the Fourier transform is not exhibited by the real-world signal. Versions are developed in this paper for use with the boxcar window, the split triangular, Hanning, Hamming, and Blackman windows. Generalization of these results to 2D is also presented.

Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS): Imaging and Tracking Capability

NASA Technical Reports Server (NTRS)

Zhou, D. K.; Larar, A. M.; Liu, Xu; Reisse, R. A.; Smith, W. L.; Revercomb, H. E.; Bingham, G. E.; Zollinger, L. J.; Tansock, J. J.; Huppi, Ronald J.

2007-01-01

The geosynchronous-imaging Fourier transform spectrometer (GIFTS) engineering demonstration unit (EDU) is an imaging infrared spectrometer designed for atmospheric soundings. It measures the infrared spectrum in two spectral bands (14.6 to 8.8 microns, 6.0 to 4.4 microns) using two 128 128 detector arrays with a spectral resolution of 0.57/cm with a scan duration of approx. 11 seconds. From a geosynchronous orbit, the instrument will have the capability of taking successive measurements of such data to scan desired regions of the globe, from which atmospheric status, cloud parameters, wind field profiles, and other derived products can be retrieved. The GIFTS EDU provides a flexible and accurate testbed for the new challenges of the emerging hyperspectral era. The EDU ground-based measurement experiment, held in Logan, Utah during September 2006, demonstrated its extensive capabilities and potential for geosynchronous and other applications (e.g., Earth observing environmental measurements). This paper addresses the experiment objectives and overall performance of the sensor system with a focus on the GIFTS EDU imaging capability and proof of the GIFTS measurement concept.

Precise and fast spatial-frequency analysis using the iterative local Fourier transform.

PubMed

Lee, Sukmock; Choi, Heejoo; Kim, Dae Wook

2016-09-19

The use of the discrete Fourier transform has decreased since the introduction of the fast Fourier transform (fFT), which is a numerically efficient computing process. This paper presents the iterative local Fourier transform (ilFT), a set of new processing algorithms that iteratively apply the discrete Fourier transform within a local and optimal frequency domain. The new technique achieves 2¹⁰ times higher frequency resolution than the fFT within a comparable computation time. The method's superb computing efficiency, high resolution, spectrum zoom-in capability, and overall performance are evaluated and compared to other advanced high-resolution Fourier transform techniques, such as the fFT combined with several fitting methods. The effectiveness of the ilFT is demonstrated through the data analysis of a set of Talbot self-images (1280 × 1024 pixels) obtained with an experimental setup using grating in a diverging beam produced by a coherent point source.

Rapid differentiation of Listeria monocytogenes epidemic clones III and IV and their intact compared with heat-killed populations using Fourier transform infrared spectroscopy and chemometrics.

PubMed

Nyarko, Esmond B; Puzey, Kenneth A; Donnelly, Catherine W

2014-06-01

The objectives of this study were to determine if Fourier transform infrared (FT-IR) spectroscopy and multivariate statistical analysis (chemometrics) could be used to rapidly differentiate epidemic clones (ECs) of Listeria monocytogenes, as well as their intact compared with heat-killed populations. FT-IR spectra were collected from dried thin smears on infrared slides prepared from aliquots of 10 μL of each L. monocytogenes ECs (ECIII: J1-101 and R2-499; ECIV: J1-129 and J1-220), and also from intact and heat-killed cell populations of each EC strain using 250 scans at a resolution of 4 cm(-1) in the mid-infrared region in a reflectance mode. Chemometric analysis of spectra involved the application of the multivariate discriminant method for canonical variate analysis (CVA) and linear discriminant analysis (LDA). CVA of the spectra in the wavelength region 4000 to 600 cm(-1) separated the EC strains while LDA resulted in a 100% accurate classification of all spectra in the data set. Further, CVA separated intact and heat-killed cells of each EC strain and there was 100% accuracy in the classification of all spectra when LDA was applied. FT-IR spectral wavenumbers 1650 to 1390 cm(-1) were used to separate heat-killed and intact populations of L. monocytogenes. The FT-IR spectroscopy method allowed discrimination between strains that belong to the same EC. FT-IR is a highly discriminatory and reproducible method that can be used for the rapid subtyping of L. monocytogenes, as well as for the detection of live compared with dead populations of the organism. Fourier transform infrared (FT-IR) spectroscopy and multivariate statistical analysis can be used for L. monocytogenes source tracking and for clinical case isolate comparison during epidemiological investigations since the method is capable of differentiating epidemic clones and it uses a library of well-characterized strains. The FT-IR method is potentially less expensive and more rapid compared to genetic

Fast Fourier Transform Spectral Analysis Program

NASA Technical Reports Server (NTRS)

Daniel, J. A., Jr.; Graves, M. L.; Hovey, N. M.

1969-01-01

Fast Fourier Transform Spectral Analysis Program is used in frequency spectrum analysis of postflight, space vehicle telemetered trajectory data. This computer program with a digital algorithm can calculate power spectrum rms amplitudes and cross spectrum of sampled parameters at even time increments.

Potential Second-Harmonic Ghost Bands in Fourier Transform Infrared (FT-IR) Difference Spectroscopy of Proteins.

PubMed

Ito, Shota; Kandori, Hideki; Lorenz-Fonfria, Victor A

2018-06-01

Fourier transform infrared (FT-IR) difference absorption spectroscopy is a common method for studying the structural and dynamical aspects behind protein function. In particular, the 2800-1800 cm -1 spectral range has been used to obtain information about internal (deuterated) water molecules, as well as site-specific details about cysteine residues and chemically modified and artificial amino acids. Here, we report on the presence of ghost bands in cryogenic light-induced FT-IR difference spectra of the protein bacteriorhodopsin. The presence of these ghost bands can be particularly problematic in the 2800-1900 cm -1 region, showing intensities similar to O-D vibrations from water molecules. We demonstrate that they arise from second harmonics from genuine chromophore bands located in the 1400-850 cm -1 region, generated by double-modulation artifacts caused from reflections of the IR beam at the sample and at the cryostat windows back to the interferometer (inter-reflections). The second-harmonic ghost bands can be physically removed by placing an optical filter of suitable cutoff in the beam path, but at the cost of losing part of the multiplexing advantage of FT-IR spectroscopy. We explored alternatives to the use of optical filters. Tilting the cryostat windows was effective in reducing the intensity of the second harmonic artifacts but tilting the sample windows was not, presumably by their close proximity to the focal point of the IR beam. We also introduce a simple numerical post-processing approach that can partially, but not fully, correct for second-harmonic ghost bands in FT-IR difference spectra.

Selective Weighted Least Squares Method for Fourier Transform Infrared Quantitative Analysis.

PubMed

Wang, Xin; Li, Yan; Wei, Haoyun; Chen, Xia

2017-06-01

Classical least squares (CLS) regression is a popular multivariate statistical method used frequently for quantitative analysis using Fourier transform infrared (FT-IR) spectrometry. Classical least squares provides the best unbiased estimator for uncorrelated residual errors with zero mean and equal variance. However, the noise in FT-IR spectra, which accounts for a large portion of the residual errors, is heteroscedastic. Thus, if this noise with zero mean dominates in the residual errors, the weighted least squares (WLS) regression method described in this paper is a better estimator than CLS. However, if bias errors, such as the residual baseline error, are significant, WLS may perform worse than CLS. In this paper, we compare the effect of noise and bias error in using CLS and WLS in quantitative analysis. Results indicated that for wavenumbers with low absorbance, the bias error significantly affected the error, such that the performance of CLS is better than that of WLS. However, for wavenumbers with high absorbance, the noise significantly affected the error, and WLS proves to be better than CLS. Thus, we propose a selective weighted least squares (SWLS) regression that processes data with different wavenumbers using either CLS or WLS based on a selection criterion, i.e., lower or higher than an absorbance threshold. The effects of various factors on the optimal threshold value (OTV) for SWLS have been studied through numerical simulations. These studies reported that: (1) the concentration and the analyte type had minimal effect on OTV; and (2) the major factor that influences OTV is the ratio between the bias error and the standard deviation of the noise. The last part of this paper is dedicated to quantitative analysis of methane gas spectra, and methane/toluene mixtures gas spectra as measured using FT-IR spectrometry and CLS, WLS, and SWLS. The standard error of prediction (SEP), bias of prediction (bias), and the residual sum of squares of the errors

Detection and identification of bacteria in a juice matrix with Fourier transform-near infrared spectroscopy and multivariiate analysis.

PubMed

Rodriguez-Saona, L E; Khambaty, F M; Fry, F S; Dubois, J; Calvey, E M

2004-11-01

The use of Fourier transform-near infrared (FT-NIR) spectroscopy combined with multivariate pattern recognition techniques was evaluated to address the need for a fast and senisitive method for the detection of bacterial contamination in liquids. The complex cellular composition of bacteria produces FT-NIR vibrational transitions (overtone and combination bands), forming the basis for identification and subtyping. A database including strains of Escherichia coli, Pseudomonas aeruginosa, Bacillus subtilis, Bacillus cereus, and Bacillus thuringiensis was built, with special care taken to optimize sample preparation. The bacterial cells were treated with 70% (vol/vol) ethanolto enhance safe handling of pathogenic strains and then concentrated on an aluminum oxide membrane to obtain a thin bacterial film. This simple membrane filtration procedure generated reproducible FT-NIR spectra that allowed for the rapid discrimination among closely related strains. Principal component analysis and soft independent modeling of class analogy of transformed spectra in the region 5,100 to 4,400 cm(-1) were able to discriminate between bacterial species. Spectroscopic analysis of apple juices inoculated with different strains of E. coli at approximately 10(5) CFU/ml showed that FT-NIR spectralfeatures are consistent with bacterial contamination and soft independent modeling of class analogy correctly predicted the identity of the contaminant as strains of E. coli. FT-NIR in conjunction with multivariate techniques can be used for the rapid and accurate evaluation of potential bacterial contamination in liquids with minimal sample manipulation, and hence limited exposure of the laboratory worker to the agents.

Effect of H2O on the morphological changes of KNO3 formed on K2O/Al2O3 NOx storage materials: Fourier transform infra-red (FTIR) and time-resolved x-ray diffraction (TR-XRD) studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Do Heui; Mudiyanselage, Kumudu K.; Szanyi, Janos

Based on combined FTIR and XRD studies, we report here that H2O induces a morphological change of KNO3 species formed on model K2O/Al2O3 NOx storage-reduction catalysts. Specifically as evidenced by FTIR, the contact of H2O with NO2 pre-adsorbed on K2O/Al2O3 promotes the transformation from bidentate (surface-like) KNO3 species to ionic (bulk-like) ones irrespective of K loadings. Once H2O is removed from the sample, a reversible transformation into bidentate KNO3 is observed, demonstrating a significant dependence of H2O on such morphological changes. TR-XRD results show the formation of two different types of bulk KNO3 phases (orthorhomobic and rhombohedral) in an as-impregnatedmore » sample. Once H2O begins to desorb above 400 K, the former is transformed into the latter, resulting in the existence of only the rhombohedral KNO3 phase. On the basis of consistent FTIR and TR-XRD results, we propose a model for the morphological changes of KNO3 species with respect to NO2 adsorption/desorption, H2O and/or heat treatments. Compared with the BaO/Al2O3 system, K2O/Al2O3 shows some similarities with respect to the formation of bulk nitrates upon H2O contact. However, there are significant differences that originate from the lower melting temperature of KNO3 relative to Ba(NO3)2.« less

Rapid Identification and Classification of Listeria spp. and Serotype Assignment of Listeria monocytogenes Using Fourier Transform-Infrared Spectroscopy and Artificial Neural Network Analysis

PubMed Central

Romanolo, K. F.; Gorski, L.; Wang, S.; Lauzon, C. R.

2015-01-01

The use of Fourier Transform-Infrared Spectroscopy (FT-IR) in conjunction with Artificial Neural Network software NeuroDeveloper™ was examined for the rapid identification and classification of Listeria species and serotyping of Listeria monocytogenes. A spectral library was created for 245 strains of Listeria spp. to give a biochemical fingerprint from which identification of unknown samples were made. This technology was able to accurately distinguish the Listeria species with 99.03% accuracy. Eleven serotypes of Listeria monocytogenes including 1/2a, 1/2b, and 4b were identified with 96.58% accuracy. In addition, motile and non-motile forms of Listeria were used to create a more robust model for identification. FT-IR coupled with NeuroDeveloper™ appear to be a more accurate and economic choice for rapid identification of pathogenic Listeria spp. than current methods. PMID:26600423

Rapid discrimination of pork in Halal and non-Halal Chinese ham sausages by Fourier transform infrared (FTIR) spectroscopy and chemometrics.

PubMed

Xu, L; Cai, C B; Cui, H F; Ye, Z H; Yu, X P

2012-12-01

Rapid discrimination of pork in Halal and non-Halal Chinese ham sausages was developed by Fourier transform infrared (FTIR) spectrometry combined with chemometrics. Transmittance spectra ranging from 400 to 4000 cm⁻¹ of 73 Halal and 78 non-Halal Chinese ham sausages were measured. Sample preparation involved finely grinding of samples and formation of KBr disks (under 10 MPa for 5 min). The influence of data preprocessing methods including smoothing, taking derivatives and standard normal variate (SNV) on partial least squares discriminant analysis (PLSDA) and least squares support vector machine (LS-SVM) was investigated. The results indicate removal of spectral background and baseline plays an important role in discrimination. Taking derivatives, SNV can improve classification accuracy and reduce the complexity of PLSDA. Possibly due to the loss of detailed high-frequency spectral information, smoothing degrades the model performance. For the best models, the sensitivity and specificity was 0.913 and 0.929 for PLSDA with SNV spectra, 0.957 and 0.929 for LS-SVM with second derivative spectra, respectively. Copyright © 2012 Elsevier Ltd. All rights reserved.

Comparison of Fourier transform infrared spectrometry and 2,4-dinitrophenylhydrazine impinger techniques for the measurement of formaldehyde in vehicle exhaust

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haack, L.P.; LaCourse, D.L.; Korniski, T.J.

1986-01-01

Experiments were conducted to validate a Fourier transform infrared (FT-IR) sampling and analysis system for measurement of trace gases in vehicle exhaust utilizing gasoline-, gasohol-, diesel-, and methanol-fueled vehicles as the emission source and formaldehyde (HCHO) as the test molecule. The 2,4-dinitrophenylhydrazine impinger method was chosen as the reference method. Diluted exhaust was drawn continuously though the FT-IR cell and measured every 3 s. The FT-IR signals were averaged over a complete driving-test cycle and compared to the concentration determined from concurrent impinger sampling. By impinger measurements it was shown that HCHO losses between the tailpipe and the FT-IR cellmore » were on the order of only 5%, independent of vehicle type or HCHO concentration (0.02-8.5 ppm). Comparisons between FT-IR and impinger measurements on 43 tests of methanol-fueled vehicles under transient conditions (diluted-exhaust HCHO 0.28-8.5 ppm) showed FT-IR/impinger = 1.055 +/- 0.095. 19 references, 5 figures, 5 tables.« less

Effect of Drying Methods on Protein and DNA Conformation Changes in Lactobacillus rhamnosus GG Cells by Fourier Transform Infrared Spectroscopy.

PubMed

Hlaing, Mya M; Wood, Bayden R; McNaughton, Don; Ying, DanYang; Dumsday, Geoff; Augustin, Mary Ann

2017-03-01

Microencapsulation protects cells against environmental stress encountered during the production of probiotics, which are used as live microbial food ingredients. Freeze-drying and spray-drying are used in the preparation of powdered microencapsulated probiotics. This study examines the ability of Fourier transform infrared (FTIR) spectroscopy to detect differences in cells exposed to freeze-drying and spray-drying of encapsulated Lactobacillus rhamnosus GG cells. The FTIR analysis clearly demonstrated there were more significant molecular changes in lipid, fatty acid content, protein, and DNA conformation of nonencapsulated compared to encapsulated bacterial cells. The technique was also able to differentiate between spray-dried and freeze-dried cells. The results also revealed the extent of protection from a protein-carbohydrate-based encapsulant matrix on the cells depending on the type drying process. The extent of this protection to the dehydration stress was shown to be less in spray-dried cells than in freeze-dried cells. This suggests that FTIR could be used as a rapid, noninvasive, and real-time measurement technique to detect detrimental drying effects on cells.

Rapid prediction of phenolic compounds and antioxidant activity of Sudanese honey using Raman and Fourier transform infrared (FT-IR) spectroscopy.

PubMed

Tahir, Haroon Elrasheid; Xiaobo, Zou; Zhihua, Li; Jiyong, Shi; Zhai, Xiaodong; Wang, Sheng; Mariod, Abdalbasit Adam

2017-07-01

Fourier transform infrared with attenuated total reflectance (FTIR-ATR) and Raman spectroscopy combined with partial least square regression (PLSR) were applied for the prediction of phenolic compounds and antioxidant activity in honey. Standards of catechin, syringic, vanillic, and chlorogenic acids were used for the identification and quantification of the individual phenolic compounds in six honey varieties using HPLC-DAD. Total antioxidant activity (TAC) and ferrous chelating capacity were measured spectrophotometrically. For the establishment of PLSR model, Raman spectra with Savitzky-Golay smoothing in wavenumber region 1500-400cm -1 was used while for FTIR-ATR the wavenumber regions of 1800-700 and 3000-2800cm -1 with multiplicative scattering correction (MSC) and Savitzky-Golay smoothing were used. The determination coefficients (R 2 ) were ranged from 0.9272 to 0.9992 for Raman while from 0.9461 to 0.9988 for FTIT-ART. The FTIR-ATR and Raman demonstrated to be simple, rapid and nondestructive methods to quantify phenolic compounds and antioxidant activities in honey. Copyright © 2017 Elsevier Ltd. All rights reserved.

XRD, SEM and infrared study into the intercalation of sodium hexadecyl sulfate (SHS) into hydrocalumite.

PubMed

Zhang, Ping; Wang, Tianqi; Zhang, Longlong; Wu, Daishe; Frost, Ray L

2015-12-05

Hydrocalumite (CaAl-LDH-Cl) interacted with a natural anionic surfactant, sodium hexadecyl sulfate (SHS), was performed using an intercalation method. To understand the intercalation behavior and characterize the resulting products, powder X-ray diffraction (XRD), scan electron microscopy (SEM) and mid-infrared (MIR) spectroscopy combined with near-infrared (NIR) spectroscopy technique were used. The XRD analysis indicated that SHS was intercalated into CaAl-LDH-Cl successfully, resulting in an expansion of the interlayer (from 0.78 nm to 2.74 nm). The bands of C-H stretching vibrations of SHS were observed in the near-infrared spectra, which indicated that the resulting products were indeed CaAl-LDH-SHS. In addition, the bands of water stretching vibrations and OH groups shifted to higher wavenumbers when SHS was intercalated into CaAl-LDH-Cl interlayer space. Copyright © 2015 Elsevier B.V. All rights reserved.

Fourier transform of delayed fluorescence as an indicator of herbicide concentration.

PubMed

Guo, Ya; Tan, Jinglu

2014-12-21

It is well known that delayed fluorescence (DF) from Photosystem II (PSII) of plant leaves can be potentially used to sense herbicide pollution and evaluate the effect of herbicides on plant leaves. The research of using DF as a measure of herbicides in the literature was mainly conducted in time domain and qualitative correlation was often obtained. Fourier transform is often used to analyze signals. Viewing DF signal in frequency domain through Fourier transform may allow separation of signal components and provide a quantitative method for sensing herbicides. However, there is a lack of an attempt to use Fourier transform of DF as an indicator of herbicide. In this work, the relationship between the Fourier transform of DF and herbicide concentration was theoretically modelled and analyzed, which immediately yielded a quantitative method to measure herbicide concentration in frequency domain. Experiments were performed to validate the developed method. Copyright © 2014 Elsevier Ltd. All rights reserved.

Fourier transform spectra of quantum dots

NASA Astrophysics Data System (ADS)

Damian, V.; Ardelean, I.; Armăşelu, Anca; Apostol, D.

2009-09-01

Semiconductor quantum dots are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. These nanocrystals absorb light over a very broad spectral range as compared to molecular fluorophores which have very narrow excitation spectra. High-quality QDs are proper to be use in different biological and medical applications (as fluorescent labels, the cancer treatment and the drug delivery). In this article, we discuss Fourier transform visible spectroscopy of commercial quantum dots. We reveal that QDs produced by Evident Technologies when are enlightened by laser or luminescent diode light provides a spectral shift of their fluorescence spectra correlated to exciting emission wavelengths, as shown by the ARCspectroNIR Fourier Transform Spectrometer. In the final part of this paper we show an important biological application of CdSe/ZnS core-shell ODs as microbial labeling both for pure cultures of cyanobacteria (Synechocystis PCC 6803) and for mixed cultures of phototrophic and heterotrophic microorganisms.

Fourier transform spectra of quantum dots

NASA Astrophysics Data System (ADS)

Damian, V.; Ardelean, I.; Armăşelu, Anca; Apostol, D.

2010-05-01

Semiconductor quantum dots are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. These nanocrystals absorb light over a very broad spectral range as compared to molecular fluorophores which have very narrow excitation spectra. High-quality QDs are proper to be use in different biological and medical applications (as fluorescent labels, the cancer treatment and the drug delivery). In this article, we discuss Fourier transform visible spectroscopy of commercial quantum dots. We reveal that QDs produced by Evident Technologies when are enlightened by laser or luminescent diode light provides a spectral shift of their fluorescence spectra correlated to exciting emission wavelengths, as shown by the ARCspectroNIR Fourier Transform Spectrometer. In the final part of this paper we show an important biological application of CdSe/ZnS core-shell ODs as microbial labeling both for pure cultures of cyanobacteria (Synechocystis PCC 6803) and for mixed cultures of phototrophic and heterotrophic microorganisms.

Wavelength-encoded tomography based on optical temporal Fourier transform

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Chi; Wong, Kenneth K. Y., E-mail: kywong@eee.hku.hk

We propose and demonstrate a technique called wavelength-encoded tomography (WET) for non-invasive optical cross-sectional imaging, particularly beneficial in biological system. The WET utilizes time-lens to perform the optical Fourier transform, and the time-to-wavelength conversion generates a wavelength-encoded image of optical scattering from internal microstructures, analogous to the interferometery-based imaging such as optical coherence tomography. Optical Fourier transform, in principle, comes with twice as good axial resolution over the electrical Fourier transform, and will greatly simplify the digital signal processing after the data acquisition. As a proof-of-principle demonstration, a 150 -μm (ideally 36 μm) resolution is achieved based on a 7.5-nm bandwidth swept-pump,more » using a conventional optical spectrum analyzer. This approach can potentially achieve up to 100-MHz or even higher frame rate with some proven ultrafast spectrum analyzer. We believe that this technique is innovative towards the next-generation ultrafast optical tomographic imaging application.« less

Fourier-transform optical microsystems

NASA Technical Reports Server (NTRS)

Collins, S. D.; Smith, R. L.; Gonzalez, C.; Stewart, K. P.; Hagopian, J. G.; Sirota, J. M.

1999-01-01

The design, fabrication, and initial characterization of a miniature single-pass Fourier-transform spectrometer (FTS) that has an optical bench that measures 1 cm x 5 cm x 10 cm is presented. The FTS is predicated on the classic Michelson interferometer design with a moving mirror. Precision translation of the mirror is accomplished by microfabrication of dovetailed bearing surfaces along single-crystal planes in silicon. Although it is miniaturized, the FTS maintains a relatively high spectral resolution, 0.1 cm-1, with adequate optical throughput.

Direct and simultaneous detection of organic and inorganic ingredients in herbal powder preparations by Fourier transform infrared microspectroscopic imaging

NASA Astrophysics Data System (ADS)

Chen, Jian-bo; Sun, Su-qin; Tang, Xu-dong; Zhang, Jing-zhao; Zhou, Qun

2016-08-01

Herbal powder preparation is a kind of widely-used herbal product in the form of powder mixture of herbal ingredients. Identification of herbal ingredients is the first and foremost step in assuring the quality, safety and efficacy of herbal powder preparations. In this research, Fourier transform infrared (FT-IR) microspectroscopic identification method is proposed for the direct and simultaneous recognition of multiple organic and inorganic ingredients in herbal powder preparations. First, the reference spectrum of characteristic particles of each herbal ingredient is assigned according to FT-IR results and other available information. Next, a statistical correlation threshold is determined as the lower limit of correlation coefficients between the reference spectrum and a larger number of calibration characteristic particles. After validation, the reference spectrum and correlation threshold can be used to identify herbal ingredient in mixture preparations. A herbal ingredient is supposed to be present if correlation coefficients between the reference spectrum and some sample particles are above the threshold. Using this method, all kinds of herbal materials in powder preparation Kouqiang Kuiyang San are identified successfully. This research shows the potential of FT-IR microspectroscopic identification method for the accurate and quick identification of ingredients in herbal powder preparations.

[Measurements of stable isotopes in atmospheric CO2 and H2O by open-path Fourier transform infrared spectrometry].

PubMed

Wang, Wei; Liu, Wen-Qing; Zhang, Tian-Shu

2013-08-01

The development of spectroscopic techniques has offered continuous measurement of stable isotopes in the ambient air. The method of measuring environmental stable isotopes based on Fourier transform infrared spectrometry (FTIR) is described. In order to verify the feasibility of the method for continuous measurement of the stable isotopes, an open-path FTIR system was used to measure stable isotopes of CO2 and H2O in ambient air directly in a seven-day field experiment, including 12CO2, 3CO2, H2 16O and HD16 O. Also, the time course of carbon isotopic ratio delta13 C and deuterium isotope composition deltaD was calculated. The measurement precision is about 1.08 per thousand for delta13 C and 1.32 per thousand for deltaD. The measured stable isotopes of CO2 and H2O were analyzed on different time scales by Keeling plot methods, and the deuterium isotopic ratios of evapotranspiration were determined. The results of the field experiment demonstrate the potential of the open-path FTIR system for continuous measurement of stable isotopes in the air.

Application of multibounce attenuated total reflectance fourier transform infrared spectroscopy and chemometrics for determination of aspartame in soft drinks.

PubMed

Khurana, Harpreet Kaur; Cho, Il Kyu; Shim, Jae Yong; Li, Qing X; Jun, Soojin

2008-02-13

Aspartame is a low-calorie sweetener commonly used in soft drinks; however, the maximum usage dose is limited by the U.S. Food and Drug Administration. Fourier transform infrared (FTIR) spectroscopy with attenuated total reflectance sampling accessory and partial least-squares regression (PLS) was used for rapid determination of aspartame in soft drinks. On the basis of spectral characterization, the highest R2 value, and lowest PRESS value, the spectral region between 1600 and 1900 cm(-1) was selected for quantitative estimation of aspartame. The potential of FTIR spectroscopy for aspartame quantification was examined and validated by the conventional HPLC method. Using the FTIR method, aspartame contents in four selected carbonated diet soft drinks were found to average from 0.43 to 0.50 mg/mL with prediction errors ranging from 2.4 to 5.7% when compared with HPLC measurements. The developed method also showed a high degree of accuracy because real samples were used for calibration, thus minimizing potential interference errors. The FTIR method developed can be suitably used for routine quality control analysis of aspartame in the beverage-manufacturing sector.

A method to perform a fast fourier transform with primitive image transformations.

PubMed

Sheridan, Phil

2007-05-01

The Fourier transform is one of the most important transformations in image processing. A major component of this influence comes from the ability to implement it efficiently on a digital computer. This paper describes a new methodology to perform a fast Fourier transform (FFT). This methodology emerges from considerations of the natural physical constraints imposed by image capture devices (camera/eye). The novel aspects of the specific FFT method described include: 1) a bit-wise reversal re-grouping operation of the conventional FFT is replaced by the use of lossless image rotation and scaling and 2) the usual arithmetic operations of complex multiplication are replaced with integer addition. The significance of the FFT presented in this paper is introduced by extending a discrete and finite image algebra, named Spiral Honeycomb Image Algebra (SHIA), to a continuous version, named SHIAC.