scholarly journals Differentiation of L-cysteine Sources using FTIR and Raman Spectroscopy

Halalpshere ◽  
2021 ◽  
Vol 1 (1) ◽  
pp. 83-95
Author(s):  
Z. Mohamad Zharif ◽  
Nur Azira Tukiran ◽  
Muhamad Shirwan Abdullah Sani
Keyword(s):  
Raman Spectroscopy ◽  
Raw Materials ◽  
Food Additives ◽  
Primary Source ◽  
Principal Component ◽  
Attenuated Total Reflection ◽  
Primary Sources ◽  
Pre Treatment ◽  
Ftir And Raman Spectroscopy

L-cysteine is a food additive that is used in bakery ingredient. It is used as stabilizer to soften the texture of bakery dough. However, the primary sources of L-cysteine could be controversial as it might derive from animal and human parts. This study aimed to differentiate the L-cysteine sources by using Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) and Raman spectroscopy. Raw materials of pig bristles, human hair, cow horn, duck feather and chicken feather were analysed. The result found that the ATR-FTIR is preferable rather than Raman spectroscopy in differentiating the primary sources of L-cysteine. Data pre-treatment was carried out to provide a more suitable for analysis and easier interpretation. Accordingly, principal component analysis (PCA) transformed the transmittance of ATR-FTIR into a number of principal components (PCs).Five distinct groups were successfully differentiated in PCA. The proposed method offers as fast and environmentally friendly approach to distinguish the primary source of L-cysteine sources. Hence, this method would beneficial to be used for origin determination of L-cysteine food additives.

Multivariate Analysis Aided Surface-Enhanced Raman Spectroscopy (MVA-SERS) Multiplex Quantitative Detection of Trace Fentanyl in Illicit Drug Mixtures Using a Handheld Raman Spectrometer

2021 ◽  
pp. 000370282110329
Author(s):  
Ling Wang ◽  
Mario O. Vendrell-Dones ◽  
Chiara Deriu ◽  
Sevde Doğruer ◽  
Peter de B. Harrington ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Principal Component ◽  
Surface Enhanced Raman Spectroscopy ◽  
Quantitative Detection ◽  
Least Squares Regression ◽  
Surface Enhanced ◽  
Surface Enhanced Raman ◽  
Sers Detection ◽  
Current Screening

Recently there has been upsurge in reports that illicit seizures of cocaine and heroin have been adulterated with fentanyl. Surface-enhanced Raman spectroscopy (SERS) provides a useful alternative to current screening procedures that permits detection of trace levels of fentanyl in mixtures. Samples are solubilized and allowed to interact with aggregated colloidal nanostars to produce a rapid and sensitive assay. In this study, we present the quantitative determination of fentanyl in heroin and cocaine using SERS, using a point-and-shoot handheld Raman system. Our protocol is optimized to detect pure fentanyl down to 0.20 ± 0.06 ng/mL and can also distinguish pure cocaine and heroin at ng/mL levels. Multiplex analysis of mixtures is enabled by combining SERS detection with principal component analysis and super partial least squares regression discriminate analysis (SPLS-DA), which allow for the determination of fentanyl as low as 0.05% in simulated seized heroin and 0.10% in simulated seized cocaine samples.

Chemometric Approach to a Rapid Attenuated Total Reflection Fourier Transform Infrared Analysis of Complex Heroin-Based Mixtures

2020 ◽  
pp. 000370282096971
Author(s):  
Nataša Radosavljević Stevanović ◽  
Milena Jovanović ◽  
Federico Marini ◽  
Slavica Ražić
Keyword(s):  
Principal Component Analysis ◽  
Fourier Transform ◽  
Principal Component ◽  
Fourier Transform Infrared ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Illegal Market ◽  
Ft Ir

Heroin is one of the most frequently seized drugs in Southeastern Europe. Due to the position in the Balkan route, the Republic of Serbia keeps important role in suppression of the trafficking of heroin for domestic and foreign illegal market. This research is aimed to provide a good scientific approach in the field of seized heroin analysis. Two different forms of heroin are present in the illegal market, mostly in mixtures with typical “cutting” agents: caffeine, paracetamol, and sugars. It was observed that the quantity of pure heroin in seized samples slightly increases from year to year. The aim of this study was to produce a reliable and fast procedure for classification of illicit heroin samples and determination of the concentration range of heroin in the samples. For that purpose, the attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR) technique was used and combined with such chemometric methods as principal component analysis, cluster analysis, and partial least squares. Principal component analysis (PCA) as an unsupervised model was used for exploratory purposes to identify trends, similarities, and differences between samples by reducing the dimensionality of the data. The cluster classification of examined samples turned out to be extremely useful to evaluate the possibilities of the ATR FT-IR technique to classify the samples appropriately into the patterns, the constituted clusters. Additionally, partial least square was the suitable method for the purpose of determination of the heroin hydrochloride concentration range in examined samples. It is proved that the joined application of spectroscopy and chemometrics can be extremely convenient and useful for forensic and drugs control laboratories.

scholarly journals Synthesis and Properties of Thermosets from Tung Oil and Furfuryl Methacrylate

Polymers ◽  
2020 ◽  
Vol 12 (2) ◽  
pp. 258 ◽  
Author(s):  
Sunanda Sain ◽  
Dan Åkesson ◽  
Mikael Skrifvars
Keyword(s):  
Raman Spectroscopy ◽  
Fourier Transform ◽  
Free Radical ◽  
Raw Materials ◽  
Mechanical Analysis ◽  
Diels Alder ◽  
Tung Oil ◽  
Radical Polymerisation ◽  
High Degree ◽  
Ftir And Raman Spectroscopy

This work focuses on the development of cross-linked polymer from a highly unsaturated vegetable oil, tung oil (TO) and a bio-based acrylate, furfuryl methacrylate (FMA). The presence of a high degree of unsaturated carbon-carbon bonding in TO makes it a suitable precursor for polymer synthesis. Using this advantage of TO, in this work, we have synthesised a cross-linked polymer from TO and FMA through free radical polymerisation followed by Diels–Alder (DA) reaction. Successful incorporation of both of the raw materials and the two chemical reactions was shown using Fourier-transform infrared (FTIR) and Raman spectroscopy. The development of cross-linked structure was analysed through thermogravimetric analysis (TGA) and dynamic mechanical analysis (DMA).

Determination of the Reactivity Degree of Various Alkaline Solutions: A Chemometric Investigation

2019 ◽  
Vol 73 (12) ◽  
pp. 1361-1369 ◽  
Author(s):  
Marie Arnoult ◽  
Colin Dupuy ◽  
Maggy Colas ◽  
Julie Cornette ◽  
Ludovic Duponchel ◽  
...  
Keyword(s):  
Principal Component Analysis ◽  
Raman Spectroscopy ◽  
Statistical Model ◽  
Partial Least Squares Regression ◽  
Principal Component ◽  
Silicate Solution ◽  
Alkaline Solutions ◽  
Least Squares Regression ◽  
Chemometric Techniques

Knowledge of alkaline silicate solutions is crucial in order to optimize geopolymer properties. Geopolymers are new binders resulting from the activation of an aluminosilicate by an alkaline solution. It is well established that the solution reactivity strongly affects the geopolymerization and therefore the geopolymer working properties. As a consequence, an evaluation of the reactivity degree of alkaline silicate solutions prior synthesis is of the utmost interest. However, the determination of the solution reactivity is currently tedious, and for geopolymer commercialization, it would be necessary to find an easy way to determine it. Therefore, Raman spectroscopy, combined with chemometric techniques, is proposed as a solution to easily determine the alkaline silicate solution reactivity. To conduct this investigation, 65 silicate solutions were characterized by Raman spectroscopy, and reference values of their reactivity degree were determined. Finally, principal component analysis and partial least squares regression were performed to build a statistical model able to predict the alkaline silicate solution reactivity from Raman spectra.

Determination of Chemical Species in MDEA – Carbon Dioxide – Water System by Raman Spectroscopy

2015 ◽  
Vol 1113 ◽  
pp. 261-266 ◽  
Author(s):  
Humbul Suleman ◽  
Muhammad Zubair Shahid ◽  
Abdulhalim Shah Maulud ◽  
Zakaria Man ◽  
Mohammad Azmi Bustam Khalil
Keyword(s):  
Carbon Dioxide ◽  
Raman Spectroscopy ◽  
Chemical Speciation ◽  
Water System ◽  
Chemical Species ◽  
Principal Component Regression ◽  
Principal Component ◽  
Carbon Dioxide Absorption

Alkanolamines based carbon dioxide absorption from flue gases remains the most industrially implemented technique. The effective design of absorbers and associated equipment requires robust thermodynamic and kinetic models thus, instigating research efforts in chemical speciation and characterization of CO2loaded alkanolamine solutions. In this study, the potential of Raman spectroscopy has been investigated to determine the in situ chemical speciation in MDEA – CO2– Water system. The Raman spectra have been fitted to thermodynamic values using principal component regression. Results are in good agreement for carbonate, bicarbonate, MDEA and protonated MDEA chemical species.

scholarly journals A biospectroscopic analysis of human prostate tissue obtained from different time periods points to a trans-generational alteration in spectral phenotype

2015 ◽  
Vol 5 (1) ◽  
Author(s):  
Georgios Theophilou ◽  
Kássio M. G. Lima ◽  
Matthew Briggs ◽  
Pierre L. Martin-Hirsch ◽  
Helen F. Stringfellow ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Principal Component ◽  
Attenuated Total Reflection ◽  
Prostate Tissue ◽  
Projection Algorithm ◽  
Human Prostate ◽  
Phenotypic Change ◽  
Linear Discriminant ◽  
Dna And Rna ◽  
Immunohistochemical Studies

Abstract Prostate cancer is the most commonly-diagnosed malignancy in males worldwide; however, there is marked geographic variation in incidence that may be associated with a Westernised lifestyle. We set out to determine whether attenuated total reflection Fourier-transform infrared (ATR-FTIR) or Raman spectroscopy combined with principal component analysis-linear discriminant analysis or variable selection techniques employing genetic algorithm or successive projection algorithm could be utilised to explore differences between prostate tissues from differing years. In total, 156 prostate tissues from transurethral resection of the prostate procedures for benign prostatic hyperplasia from 1983 to 2013 were collected. These were distributed to form seven categories: 1983–1984 (n = 20), 1988–1989 (n = 25), 1993–1994 (n = 21), 1998–1999 (n = 21), 2003–2004 (n = 21), 2008–2009 (n = 20) and 2012–2013 (n = 21). Ten-μm-thick tissue sections were floated onto Low-E (IR-reflective) slides for ATR-FTIR or Raman spectroscopy. The prostate tissue spectral phenotype altered in a temporal fashion. Examination of the two categories that are at least one generation (30 years) apart indicated highly-significant segregation, especially in spectral regions containing DNA and RNA bands (≈1,000–1,490 cm−1). This may point towards alterations that have occurred through genotoxicity or through epigenetic modifications. Immunohistochemical studies for global DNA methylation supported this. This study points to a trans-generational phenotypic change in human prostate.

scholarly journals Application of ATR-FTIR analysis for determination of fumonisins in corn

2017 ◽  
pp. 47-56
Author(s):  
Sandra Jaksic ◽  
Igor Jajic ◽  
Vesna Despotovic ◽  
Milica Zivkov-Balos ◽  
Igor Stojanov ◽  
...  
Keyword(s):  
Principal Component ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Ftir Analysis ◽  
Elisa Method ◽  
High Concentration ◽  
Genus Fusarium ◽  
And Cluster Analysis

In order to develop rapid, inexpensive and, at the same time, reliable method for the analysis of molds of the genus Fusarium as an indicator of the presence of fumonisins in corn samples, possible application of Fourier transform infrared spectroscopy (FTIR) with attenuated total reflection (ATR) technique was examined. The content of fumonisins in contaminated corn samples had previously been quantified by ELISA method. At the spectrum of the sample contaminated with a high concentration of mycotoxins, there was a lack of the peak at 1,743 cm-1, but the peak was observed at 1709 cm-1. To the purpose of result classification the principal component analysis (PCA) and cluster analysis were applied. Conclusions of the two methods were similar both when applying ATR technique in the whole region of the spectrum (1,150-1,770 cm-1) and when the whole spectrum was divided into two regions: 1,150-1,450 and 1,450-1,770 cm-1. However, classification of samples was somewhat better in the ranges 1,150-1,770 and 1,450-1,770 cm-1 . Of the 16 analyzed corn samples, only very contaminated corn sample with 190 mg/kg was correctly classified as compared to the other samples with the content of less than 10 mg/kg. Also, it was found-passing recording of spectra of contaminated corn of the same genotype in order to avoid the possible impact of different hybrids on the spectrum.

scholarly journals Determination of toxic elements in meat products from Serbia packaged in tinplate cans

2021 ◽  
Author(s):  
Branislav Stojanović ◽  
Saša Janković ◽  
Vesna Đorđević ◽  
Sonja Marjanović ◽  
Dragan Vasilev ◽  
...  
Keyword(s):  
Toxic Elements ◽  
Raw Materials ◽  
Food Additives ◽  
Meat Products ◽  
Storage Period ◽  
Armed Forces ◽  
Expert Committee ◽  
Small Risk ◽  
Canned Meat

Abstract This work aimed to examine the influence of the storage period on the content of toxic elements (As, Cd, Pb, and Hg), in five types of canned meat products, which are regularly used in the Serbian Armed Forces. Cans of beef goulash (BG), pork ragout (PR), spam (SP), liver pate (LP), and meatballs in tomato sauce (MB), produced according to military standards, and stored under regular conditions (temperature up to max 25 °C and relative humidity up to max 75%), were analyzed in this research. Meat products were made according to the special military requirements, packed in tinplate cans, and stored for up to 6 years. The highest average contents of toxic elements were found to be 10.00 µg/kg for arsenic in BG, 35.91 µg/kg for cadmium in LP, 15.04 µg/kg for mercury in PR, and 8.00 µg/kg for lead in PR. The storage period did not significantly affect the level of toxic elements, although higher concentrations were found in samples stored for more than two years. The influence of raw materials, spices, and additives on the level of toxic elements in some meat products was also examined. None of the samples contained toxic elements at levels exceeding the currently maximum permitted levels. The consumption of this type of food represents a small risk to human health because the exposure of soldiers to toxic elements, calculated as weekly intake, is far below legal PTWI/TWI limits, established by the Joint FAO/WHO Expert Committee on Food Additives (JECFA) and European Food Safety Authority (EFSA).

scholarly journals Raman spectroscopy coupled with principal component analysis to quantitatively analyze four crystallographic phases of explosive CL-20

RSC Advances ◽  
2018 ◽  
Vol 8 (41) ◽  
pp. 23348-23352 ◽  
Author(s):  
Xuan He ◽  
Yu Liu ◽  
Shiliang Huang ◽  
Yi Liu ◽  
Xuemei Pu ◽  
...  
Keyword(s):  
Principal Component Analysis ◽  
Raman Spectroscopy ◽  
Quantitative Determination ◽  
Principal Component ◽  
Component Analysis ◽  
New Method ◽  
Raman Shift ◽  
Set Up

Principal component analysis (PCA) of the data was performed to calculate the characteristic Raman shift region of CL-20, and a new method for the quantitative determination of polymorphic impurities in ε-CL-20 was set up.

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