4.7 Article

Development of methodology for identification the nature of the polyphenolic extracts by FTIR associated with multivariate analysis

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2015.08.020

Keywords

FTIR; Polyphenolic extracts; Multivariate analysis; Tannins

Categories

Ask authors/readers for more resources

Tannins are polyphenolic compounds of complex structures formed by secondary metabolism in several plants. These polyphenolic compounds have different applications, such as drugs, anti-corrosion agents, flocculants, and tanning agents. This study analyses six different type of polyphenolic extracts by Fourier transform infrared spectroscopy (FTIR) combined with multivariate analysis. Through both principal component analysis (PCA) and hierarchical cluster analysis (HCA), we observed well-defined separation between condensed (quebracho and black wattle) and hydrolysable (valonea, chestnut, myrobalan, and tara) tannins. For hydrolysable tannins, it was also possible to observe the formation of two different subgroups between samples of chestnut and valonea and between samples of tara and myrobalan. Among all samples analysed, the chestnut and valonea showed the greatest similarity, indicating that these extracts contain equivalent chemical compositions and structure and, therefore, similar properties. (C) 2015 Elsevier B.V. All rights reserved.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Spectroscopy

Rapid classification of chromoblastomycosis agents genera by infrared spectroscopy and chemometrics supervised by sequencing of rDNA regions

Daiane Heidrich, Alessandra Koehler, Mauricio Ramirez-Castrillon, Danielle Machado Pagani, Marco Flores Ferrao, Maria Lucia Scroferneker, Valeriano Antonio Corbellini

Summary: This study aimed to differentiate CBM agents at the genus level using FTIR supervised by ITS rDNA region. The ATR-FTIR/OPLS-DA models successfully classified all samples of five CBM genera based on important contributions of specific regions in the spectra. FTIR shows potential as a fast and inexpensive alternative for CBM agent identification.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2021)

Review Chemistry, Analytical

Chemometric Approaches in Questioned Documents

Roberta Petry Gorziza, Marina Gonzalez, Carina Maria Bello de Carvalho, Rafael Scorsatto Ortiz, Arco Flores Ferrao, Renata Pereira Limberger

Summary: Questioned documents involve analysis of various issues, such as identity theft, forged signatures or texts, documents alterations, and falsification of security documents or banknotes. Chemical analysis is required for questions concerning inks or paper, and multivariate analysis has emerged as an important tool for data evaluation. This study aimed to identify previous articles that applied multivariate analysis in the field of questioned documents for forensic purposes. Sixty studies published in the last ten years were selected. These studies covered various aspects, including pen inks analysis, printed documents studies, paper analysis, and banknotes analysis. Different analytical methods, such as spectroscopy, mass spectrometry, chromatography, and multivariate image analysis, were used to collect chemical data. The application of chemometrics methods, including unsupervised pattern recognition techniques, regression methods, and supervised pattern recognition techniques, was also discussed.

BRAZILIAN JOURNAL OF ANALYTICAL CHEMISTRY (2022)

Article Chemistry, Applied

Low cost method for copper determination in sugarcane spirits using Photometrix UVC® embedded in smartphone

Fernanda C. Bock, Gilson A. Helfer, Adilson B. da Costa, Morgana B. Dessuy, Marco F. Ferrao

Summary: The study utilized smartphone analysis to quantify copper levels in sugarcane spirit samples, optimizing experimental design and image acquisition procedures for improved accuracy. The proposed method offers advantages of portability, low cost, and reduced reagent consumption compared to traditional techniques.

FOOD CHEMISTRY (2022)

Article Energy & Fuels

Microbial sludge formation in Brazilian marine diesel oil (B0) and soybean methylic biodiesel blends (B10 and B20) during simulated storage

Thais Livramento Silva, Juciana Clarice Cazarolli, Tania Mara Pizzolato, Ana Paula Guedes Frazzon, Michele Bertoni Mann, Jeverson Frazzon, Danielle Kochenborger John, Marco Flores Ferrao, Pabulo Henrique Rampelotto, Emmanuel Bezerra D'Alessandro, Nelson Roberto Antoniosi Filho, Fatima Menezes Bento

Summary: This study evaluated the impact of adding biodiesel to marine diesel oil, finding that adding 20% biodiesel had a greater impact on microbial growth and oil phase composition.
Article Engineering, Biomedical

Digital images coupled to PLS regression for pH prediction in sterile culture medium

Anderson Ramos Carvalho, Luana Candice Genz Bazana, Alexandre Meneghello Fuentefria, Marco Flores Ferrao

Summary: This study proposes a method for determining pH without contact with the sample using digital images and regression analysis, which is validated by comparative calibration. The results demonstrate that digital images are a good alternative for determining the pH of RPMI 1640 medium, offering convenience, speed, and cost-effectiveness, and producing results similar to a pH meter.

BIOMEDICAL SIGNAL PROCESSING AND CONTROL (2022)

Article Microbiology

A computer vision chemometric-assisted approach to access pH and glucose influence on susceptibility of Candida pathogenic strains

A. R. Carvalho, L. C. G. Bazana, A. A. Gomes, M. F. Ferrao, A. M. Fuentefria

Summary: Microorganisms adapt to the environment and fungi's adaptive capacity allows them to cause diseases in humans. This study used digital images as response and compared two experimental approaches to examine the influence of various factors on Candida strains. The results showed that pH modification affects the susceptibility of some species. Additionally, digital images were used for the first time as input to obtain information about Candida susceptibility.

ARCHIVES OF MICROBIOLOGY (2022)

Article Biochemistry & Molecular Biology

Miniaturized Method for Chemical Oxygen Demand Determination Using the PhotoMetrix PRO Application

Lisandro von Muhlen, Osmar D. Prestes, Marco F. Ferrao, Carla Sirtori

Summary: The analysis of chemical oxygen demand (COD) is important for measuring water pollution, but it often has high ecological costs. With advances in image acquisition and processing techniques, mobile devices can now be used for COD analysis. The PhotoMetrix PRO application was used for image acquisition and multivariate analysis, and the results showed no significant difference compared to the standard method. The miniaturized method reduced costs, waste generation, and analysis time, and it was successfully used for analyzing different matrices and evaluating advanced oxidation processes. The miniaturized PhotoMetrix PRO method is a suitable option for COD analysis, as it reduces the use of chemicals and waste generation, making it less hazardous to the environment.

MOLECULES (2022)

Article Chemistry, Analytical

Discrimination of whole grape juice using fluorescence spectroscopy data with linear discriminant analysis coupled to genetic and ant colony optimisation algorithms

Carlos H. H. Junges, Celito C. C. Guerra, Natalia A. P. Canedo-Reis, Adriano A. A. Gomes, Marco F. F. Ferrao

Summary: In this study, a new approach using unfolded excitation-emission matrix (EEM) fluorescence spectroscopy and chemometrics was developed to classify grape juices produced in Brazil based on conventional or organic agricultural production systems. Linear discriminant analysis (LDA) coupled to ant colony optimisation (ACO) and the genetic algorithm (GA) were used to select a more effective subset of variables for discrimination. The proposed method showed highly efficient classification of grape juice samples with up to 97% accuracy for the models and 94% accuracy for external samples, demonstrating its viability for quality control in the food industry.

ANALYTICAL METHODS (2023)

Review Medicine, Legal

Overview of cocaine identification by vibrational spectroscopy and chemometrics

Danielle Kochenborger John, Klester dos Santos Souza, Marco Flores Ferrao

Summary: The use of non-destructive forensic methods for cocaine identification is crucial due to the large number of seized samples. Spectroscopic techniques such as ATR-FTIR, Raman, and NIR spectroscopy offer fast and cost-effective analysis, along with the reanalysis of samples. When combined with chemometrics, these methods allow for accurate determination and quantification of cocaine, overcoming the limitations of existing techniques. This review article comprehensively discusses the application of spectroscopic techniques in identifying cocaine in various forms and matrices, including food and textiles used for smuggling. It also explores the chemometric identification of cocaine in oral fluid and water, as well as the use of portable equipment for vibrational spectroscopy. The article aims to evaluate the main chemometric applications of spectroscopic data and provide new perspectives on cocaine identification using chemometrics.

FORENSIC SCIENCE INTERNATIONAL (2023)

Article Chemistry, Applied

Grape juice classification with respect agricultural production system by means of visible spectroscopy chemometrics assisted

Carlos H. Junges, Celito C. Guerra, Natalia A. P. C. Reis, Adriano A. Gomes, Fernando S. Diogo, Marco F. Ferrao

Summary: In this study, visible spectra combined with chemometric methods were used to differentiate Brazilian grape juices by conventional and organic production systems. A new pH modulation approach was employed to build a more accurate classification model. Visible spectroscopy proved to be a simple, fast, and low-cost method for evaluating the quality of grape juice.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2022)

Article Neurosciences

Grape juice reduces the effects of amyloid β aggregation phenotype and extends the longevity in Caenorhabditis elegans

Natalia Alejandra Pisoni Canedo-Reis, Flavia Suelen de Oliveira Pereira, Daiana Silva Avila, Celito Crivellaro Guerra, Leticia Flores da Silva, Carlos Henrique Junges, Marco Flores Ferrao, Ana Maria Bergold

Summary: This study found that multiple grape juices can improve symptoms and extend lifespan in an Alzheimer's disease model. The rich constitution of grape juices is responsible for attenuating the phenotype caused by A beta aggregation.

NUTRITIONAL NEUROSCIENCE (2023)

Review Medicine, Legal

Hyperspectral imaging in forensic science: An overview of major application areas

Kristiane de Cassia Mariotti, Rafael Scorsatto Ortiz, Marco Flores Ferrao

Summary: Analysis of evidence is a complex task in forensic science due to the complex and diverse nature of crime scene materials. Hyperspectral imaging (HSI) has emerged as a valuable analytical tool for maintaining sample integrity and conducting sequential analysis. This paper provides an overview of the application of HSI techniques in forensic science, focusing on document examination, bloodstain analysis, trace analysis of explosives, gunshot residue, and the importance of chemometric tools in obtaining crucial information from the samples. Despite the challenges, there have been significant technological and scientific advancements, establishing a solid foundation for the use of HSI in real-life forensic cases.

SCIENCE & JUSTICE (2023)

Article Chemistry, Analytical

Study of coffee sensory attributes by ordered predictors selection applied to 1H NMR spectroscopy

Ellisson H. de Paulo, Marcia H-C. Nascimento, Pedro H. -P. da Cunha, Lucas L. Pereira, Emanuele C. da S. Oliveira, Paulo R. Filgueiras, Marco F. Ferrao

Summary: The determination of sensory attributes of coffee samples through trained cupping tasters is important for coffee quality control, but may be distorted due to different interpretations of quality from tasters' perspectives. Hydrogen nuclear magnetic resonance (1H NMR) can predict sensory attributes using chemometric methods. Variable selection by Ordered predictors selection (OPS) improves the prediction of regression models. In this study, OPS-PLS model was the best strategy to predict aftertaste, balance, and fragrance, while OPS-SVR predominated in predicting acidity, body, and flavor.

MICROCHEMICAL JOURNAL (2023)

Article Chemistry, Analytical

Using ATR-FTIR spectroscopy and DD-SIMCA for ecstasy profiling

Danielle Kochenborger John, Rafael Dutra Soares, Patricia dos Santos Correa, Klester dos Santos Souza, Marco Flores Ferrao

Summary: ATR-FTIR spectroscopy and DD-SIMCA were used to identify ecstasy and its adulterants, demonstrating their effectiveness in drug classification and analysis.

FORENSIC CHEMISTRY (2023)

Article Chemistry, Analytical

Green analytical methodology for grape juice classification using FTIR spectroscopy combined with chemometrics

Carlos H. Junges, Celito C. Guerra, Adriano A. Gomes, Marco F. Ferrao

Summary: We explored a methodology using mid-infrared spectral data and chemometric procedures to differentiate organic from conventional grape juice. The models built using genetic algorithm, stepwise regression algorithm, ant colony optimization algorithm, and successive projection algorithm showed excellent performance in distinguishing organic and conventional grape juice.

TALANTA OPEN (2022)

Article Spectroscopy

Study of relations between chemical, colour and fluorescence properties of raw and dried meat powders of cow and yak (Bos grunniens)

Zh. E. Ozbekova, A. A. Abdyldaev, A. A. Kulmyrzaev

Summary: This study compared two drying methods for cow and yak muscles, finding that freeze drying caused less discoloration. Additionally, analysis of fluorescence spectra allowed for accurate prediction of chemical composition and color characteristics of the muscles.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Time-resolved spectroscopic and computational study of the initial events in doxazosin photochemistry

Leo Mandic, Ivan Ljubic, Iva Dzeba

Summary: In this study, a combined experimental and computational approach was used to investigate the photoexcitation and photodegradation mechanisms of Doxazosin (DOX). The results provide valuable insights into the primary events following the photoexcitation of DOX and its potential applications.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Dual-mode fluorescence and colorimetric sensing of sulfide anion in natural water based on near-infrared Ag2S quantum dots and MnO2 nanosheets complex

Xiufeng Wang, Yao Jin, Wenhui Ai, Siqi Wang, Zhiqing Zhang, Ting Zhou, Fang Wang, Guodong Zhang

Summary: This study successfully synthesized near infrared fluorescence Ag2S quantum dots (QDs) and developed a dual-mode sensor for sulfide anion using the excellent oxidase-like characteristics of manganese dioxide (MnO2) nanosheets. The sensor showed a wider detection range, higher sensitivity, and shorter reaction time, making it suitable for highly selective detection of sulfide in different concentration ranges.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Near-infrared wide-range dual-gas sensor system for simultaneous detection of methane and carbon monoxide in coal mine environment

Yafei Li, Yanming Ma, Chuantao Zheng, Di Yu, Lien Hu, Shuo Yang, Fang Song, Yadan Li, Shuanghai Liu, Zhanrui Zhang, Yu Zhang, Yiding Wang, Frank K. Tittel

Summary: To effectively monitor gas explosion and coal spontaneous combustion in coal mine, an intrinsically safe and explosion-proof dual-gas sensor system was developed for methane (CH4) and carbon monoxide (CO) measurement. The system achieved different measurement ranges using laser scanning and gas cells, and improved stability and accuracy through gas pre-treatment and temperature compensation algorithm.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Infrared characterization of hydrated products of glyoxal in aqueous solution

Pei-Rong Chen, Li-Kang Chu

Summary: In this study, the hydrates of glyoxal were investigated using infrared absorption spectrometry. The results showed that at low concentrations, glyoxal mainly exists as monomeric dihydrate. These findings provide suitable detection windows for further research on the roles of glyoxal and its hydrates in atmospheric and aerosol chemistry, as well as the relevant reaction kinetics.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Determining the nanostructure and main axis of gly-his-gly fibrils using the amide I' bands in FTIR, VCD, and Raman spectra

Nichole O'Neill, Thamires A. Lima, Fabio Furlan Ferreira, Nicolas J. Alvarez, Reinhard Schweitzer-Stenner

Summary: This study determines the main fibril axis of GHG gel-forming fibrils using various techniques and compares the results with simulated data. The analysis suggests that the hydrophobic xz-surfaces of GHG fibrils could be a good target for the adsorption of hydrophobic drugs.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

An ultra-sensitive fluorescent probe for recognition of aluminum ions and its application in environment, food, and living organisms

Mengyuan Liu, Hanchuang Zhu, Yikun Fang, Caiyun Liu, Xinke Li, Xiaohui Zhang, Lixue Ma, Kun Wang, Miaohui Yu, Wenlong Sheng, Baocun Zhu

Summary: ABHS is an efficient fluorescent probe that can accurately and sensitively detect Al3+ with strong resistance to interference. It also demonstrates excellent detection and imaging capabilities in complex real samples.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Techno-economic assessment of waste mandarin biochar as a green adsorbent for binary dye wastewater effluents of methylene blue and basic fuchsin: Lab- and large-scale investigations

Ahmed S. El-Shafie, Evana Rahman, Yasser Gadelhak, Rehab Mahmoud, Marwa El-Azary

Summary: The recycling of waste mandarin peels into biochar (MRBC) has been used as a high performance and cost-effective adsorbent for treating polluted wastewater effluents. Batch adsorption studies were conducted to analyze the adsorption competency of MRBC on two dyes, methylene blue (MB) and basic fuchsin (BF), either in individual solutions or binary combinations. The results showed that MRBC was capable of effectively removing a high percentage of both dyes. However, the adsorption capacity decreased when the dyes were combined. The cost estimation of MRBC production and wastewater treatment indicated that both were relatively low.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Exploring the impact of novel thiazole-pyrazole fused benzo-coumarin derivatives on human serum albumin: Synthesis, photophysical properties, anti-cholinergic activity, and interaction studies

Anindita Bhatta, Jahnabi Upadhyaya, Dipak Chamlagai, Lincoln Dkhar, Pynskhemborlang T. Phanrang, Mohan Rao Kollipara, Sivaprasad Mitra

Summary: Derivatives of thiazole-pyrazole fused benzo-coumarin compounds were synthesized and their photophysical properties were investigated. The synthesized coumarin compounds showed potential as therapeutic agents for Alzheimer's disease, inhibiting acetylcholinesterase activity. The presence of human serum albumin was found to affect the inhibition activity.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Insights into temperature-induced phase transition mechanism of CL-20 using terahertz spectroscopy

Yongwei Duan, Quancheng Liu, Yiju Zhu, Qi Zhang, Xiaohui Duan, Hu Deng, Liping Shang

Summary: In this study, the phase transition of CL-20 was observed using terahertz spectroscopy, and quantum chemical calculations were employed to analyze the vibrations. The results indicated changes in the vibrations of CL-20 before and after phase transition.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Lead-free double perovskite Cs2NaInCl6 nanocrystals doped with Sb3+and Tb3+for copper ions detection in lubricating oil

Yuefeng Gao, Sai Xu, Baojiu Chen

Summary: This study synthesized Cs2NaInCl6 nanocrystals co-doped with Sb3+ and Tb3+ ions as probes for copper ions detection in lubricating oil. The introduction of Sb3+ effectively reduced the band gap of the host material and enabled energy transfer pathway for Tb3+ emission. The doped Tb3+ ions resulted in the suppression of emission due to electron transfer. The Cs2NaInCl6: 2.5 %Sb3+, 40 %Tb3+ NCs exhibited superior sensitivity and selectivity for copper ions detection.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Construction of a highly sensitive detection platform for heparin based on a turn-off cationic fluorescent dye

Yu Liu, Yue Zhang, Changyao Liu, Ce Wang, Baocai Xu, Li Zhao

Summary: A highly sensitive detection platform for heparin was developed using a cationic fluorescent dye (cresyl violet acetate) as a fluorescence probe. The platform demonstrated high selectivity towards heparin and achieved detection in both HEPES solution and serum.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Ultrafast spectroscopic studies on the interaction of reactive oxygen species with a probe impregnated in nanoscopic and microscopic matrix formulation

Lopamudra Roy, Nivedita Pan, Susmita Mondal, Ria Ghosh, Md. Nur Hasan, Neha Bhattacharyya, Soumendra Singh, Kallol Bhattacharyya, Arpita Chattopadhyay, Samir Kumar Pal

Summary: The study focuses on the interaction between reactive oxygen species (ROS) and a spectroscopic probe called Rose Bengal (RB), encapsulated in nanoscopic sodium dodecyl sulphate (SDS) micelles and entrapped in microscopic nylon 66 solid matrix. The research demonstrates efficient interaction between ROS and RB-SDS, and investigates the mechanism of hydroxyl radicals generation. Based on these findings, a prototype device utilizing RB embedded in a nylon thin film for quantification of ROS in extracellular fluids and food materials was developed.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Anthracene and tetraphenylsilane based conjugated porous polymer nanoparticles for sensitive detection of nitroaromatics in water

Xiaosong Sun, Qihao Cui, Wenyue Dong, Qian Duan, Teng Fei

Summary: Conjugated porous polymers (CPPs) are promising sensing materials and their application in aqueous media is limited. In this study, we synthesized CPPs with porous structure and prepared nanoparticles, enabling efficient photoluminescence sensing of nitroaromatic explosives in aqueous phase.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)

Article Spectroscopy

Non-invasive analysis of reference glass and historical mosaic tesserae by means of reflectance infrared spectroscopy

Maria Cristina Caggiani, Germana Barone, Paolo Mazzoleni

Summary: Raman spectroscopy is commonly used for studying glassy materials in cultural heritage, but it is more difficult to interpret the spectra and apply the technique with portable instruments. In contrast, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) can be used in archaeometric investigations as it is portable and non-invasive. However, there is limited application of this technique to historical glasses. This exploratory work demonstrates the potential of DRIFTS, in combination with portable X-ray Fluorescence (pXRF) and EDS microanalyses, for studying the composition and alteration of glass samples in cultural heritage.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2024)