Historical perspective and modern applications of Attenuated Total Reflectance – Fourier Transform Infrared Spectroscopy (ATR‐FTIR)

Blum, Marc‐Michael; John, Harald

doi:10.1002/dta.374

Cited by 63 publications

(37 citation statements)

References 33 publications

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“…The main advantages of FTIR-ATR spectroscopy are rapidity and reduced cost. This methodology requires no reagents or only low amounts of consumables, is non-destructive and environmentally friendly 20 .…”

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Diverse high-risk B2 and D Escherichia coli clones depicted by Fourier Transform Infrared Spectroscopy

Sousa

Novais

Magalhães

et al. 2013

Sci Rep

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We aimed to develop a reliable method based on Fourier transform infrared spectroscopy with attenuated total reflectance (FTIR-ATR) to discriminate Escherichia coli clones from B2(n 5 9) and D(n 5 13) phylogenetic groups. Eighty-eight E. coli isolates belonging to phylogenetic groups B2(n 5 39) and D(n 5 49), including particularly widespread high risk clones or clonal complexes (HiRCC) ST131, ST69, ST393 and ST405 were studied. Spectra were analysed by unsupervised (hierarchical cluster analysis-HCA) and supervised methods (soft independent modelling of class analogy-SIMCA and partial least square discriminant analysis-PLSDA). B2-ST131 isolates were discriminated from B2 non-ST131 and D phylogroup isolates (ST69, ST393, ST405) by HCA, SIMCA and PLSDA. D-ST69, D-ST393 and D-ST405 isolates were also distinguished from each other and from other STs from phylogroup D by the three methods. We demonstrate that FTIR-ATR coupled with chemometrics is a reliable and alternative method to accurately discriminate particular E. coli clones. Its validation towards an application at a routine basis could revolutionize high-throughput bacterial typing.T he global dissemination in different settings of antibiotic resistant high-risk Escherichia coli clones or clonal complexes (HiRCC) with high virulence potential constitutes one of the major current challenges in clinical microbiology 1,2 . Particular E. coli clones from phylogenetic groups B2 (ST131) and D (ST69, ST393, ST405) with enhanced ability to colonize, persist and adapt to different hosts are recognized as extraintestinal pathogenic E. coli (ExPEC) lineages, which have largely contributed to the dissemination of b-lactam resistance determinants (mainly extended-spectrum b-lactamases and/or carbapenemases) in different countries 3,4 . Assessing the prevalence and dynamics of ST131 and other HiRCC by quick methods in the clinical setting would have a significant value for clinical, infection control and epidemiological purposes 2 .Pulsed-field gel electrophoresis (PFGE) and multilocus sequence typing (MLST) have been useful for identification and discrimination of these E. coli clones at both local and global levels 3-5 , and although other alternative genotyping methods such as multilocus variable number of tandem repeats analysis (MLVA), allele-specific 6-9 or real-time PCR 10 or two-locus clonal typing have recently been proposed 11 , these methods are still time-consuming, laborious and/or expensive. Spectroscopic techniques such as Fourier transform infrared spectroscopy (FTIR) coupled with chemometric tools have demonstrated an interesting potential for the identification and typing of pathogenic and/or antibiotic resistant Gram positive and Gram negative bacteria at different taxonomic levels (species, subspecies, serotype and more recently at the strain level) [12][13][14][15][16][17][18] .The basis of FTIR spectroscopy is the interaction of infrared radiation with a sample, in our specific case with the bacterial isolate, providing a specific fingerprint that r...

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Diverse high-risk B2 and D Escherichia coli clones depicted by Fourier Transform Infrared Spectroscopy

Sousa

Novais

Magalhães

et al. 2013

Sci Rep

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“…Optical and vibrational spectroscopy is well established in the pharmaceutical industry: Infrared spectroscopy has a long history in pharmaceutical and chemical analysis [1], fluorescence spectroscopy represents a primary basis for much miniaturized high-throughput screening methods central to a drug discovery [2], and ultraviolet (UV) spectroscopy is ubiquitous as a basis for protein quantitation [3,4]. For proteins specifically, these techniques form the basis of a wide range of specialized applications that can probe structure and structural dynamics at the molecular level.…”

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The Value of UV, Fluorescence, and FTIR Spectroscopy in Biopharmaceutical Development

Brader

2015

Biophysical Characterization of Proteins in Developing Biopharmaceuticals

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“…After the recombined beam has passed through the sample the detector will record the Fourier transform of the IR spectrum of the sample. The data obtained are then processed by a computer that performs an additional Fourier transform to back-transform the interferogram into an IR spectrum (Smith et al, 2011;Blum and John, 2012). The potential value of FTIR spectroscopy to a wide range of environmental applications has been demonstrated by numerous research studies.…”

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Application of FTIR Spectroscopy in Environmental Studies

Simonescu¹

2012

Advanced Aspects of Spectroscopy

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Figure 1. Schematic representation of the electromagnetic spectrum (adapted from http://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/Spectrpy/UV-Vis/spectrum)? Advanced Aspects of Spectroscopy 50Infrared radiation is divided into:near (NIR, ν = 10,000 -4,000 cm -1 ); -middle (MIR, ν = 4,000 -200 cm -1 ) and -far (FIR, ν = 200 -10 cm -1 ).Because all compounds show characteristic absorption/emission in the IR spectral region and based on this property they can be analyzed both quantitatively and qualitatively using FT-IR spectroscopy.Today FT-IR instruments are digitalized and are faster and more sensitive than the older ones. FT-IR spectrometers can detect over a hundred volatile organic compounds (VOC) emitted from industrial and biogenic sources. Gas concentrations in stratosphere and troposphere were determined using FT-IR spectrometers (Puckrin et al., 1996).In case of environmental studies FTIR Spectroscopy is used to analyze relevant amount of compositional and structural information concerning environmental samples (Grube et al., 2008). The analysis can be performed also to determine the nature of pollutants, but also to determine the bonding mechanism in case of pollutants removal by sorption processes. Techniques for measuring gas pollutants such as continuous air pollutants analyzer (SO2, NO2, O3, NH3), on-line gas chromatography (GC) used simple real-time instruments to quantify gas pollutants. They need to use several sensors in order to analyze multiple gas pollutants simultaneously.FT-IR spectroscopy coupled with other spectroscopic techniques such as AAS (atomic absorption spectroscopy) have been used to assess the impact of industrial and natural activities on air quality (Kumar et al., 2005;Childers et al., 2001).In addition to the traditional transmission FTIR (T-FTIR) methods (e.g. KBr-pellet or mull techniques), modern reflectance techniques are widely used today in environmental, agricultural, pharmaceuticals, and food studies. These modern techniques are attenuated total reflection FTIR (ATR-FTIR), and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). The choice of the method to be used depends on many factors such as: the information needed (bulk versus surface analysis), the physical form of the sample, the time required for sample preparation (Majedová et al., 2003).In the following there will be presented some of the most important research studies related to the involvement of FTIR spectroscopy in environmental studies. Traditional transmission FT-IR (T-FTIR) spectroscopy in environmental studiesTransmission spectroscopy is the oldest and most commonly used method for identifying either organic or inorganic chemicals providing specific information on molecular structure, chemical bonding and molecular environment. It can be applied to study solids, liquids or gaseous samples being a powerful tool for qualitative and quantitative studies. Application of FTIR Spectroscopy in Environmental Studies 51FTIR instrument's principle of function is the following: IR radi...

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Historical perspective and modern applications of Attenuated Total Reflectance – Fourier Transform Infrared Spectroscopy (ATR‐FTIR)

Cited by 63 publications

References 33 publications

Diverse high-risk B2 and D Escherichia coli clones depicted by Fourier Transform Infrared Spectroscopy

Diverse high-risk B2 and D Escherichia coli clones depicted by Fourier Transform Infrared Spectroscopy

The Value of UV, Fluorescence, and FTIR Spectroscopy in Biopharmaceutical Development

Application of FTIR Spectroscopy in Environmental Studies

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