Héctor C Goicoechea

Héctor C Goicoechea
Universidad Nacional del Litoral | UNL · Analytical Development Laboratory and Chemometrics

PhD

About

250
Publications
51,593
Reads
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7,151
Citations
Introduction
Fellow of the National Research Council of Argentina (CONICET). Has founded a research group (LADAQ). His works in the development of analytical methods based on spectroscopy and separations coupled to chemometrics. He published more than 220 papers in well-known international journals, and has supervised 13 Ph.D Theses
Additional affiliations
February 2003 - present
CONICET
Position
  • Superior researcher

Publications

Publications (250)
Article
Full-text available
An external-cavity quantum cascade laser (EC-QCL)-based flow-through mid-infrared (IR) spectrometer was placed in line with a preparative size exclusion chromatography system to demonstrate real-time analysis of protein elutions with strongly overlapping chromatographic peaks. Two different case studies involving three and four model proteins were...
Article
Full-text available
The textile industry is an important potential source of environmental pollution due to the use of chemical products. Dyes, hydrolyzed dyes, and surfactants, among others, are chemical compounds present in wastewater of textile plant. Moreover, the anionic surfactants have toxic effects for various aquatic organisms even in low concentrations. The...
Article
This work reports for the first time the analytical performance of glassy carbon electrodes (GCE) modified with a dispersion of multi-wall carboxylated carbon nanotubes (MWCNTs–COOH) using a mixture of a natural deep eutectic solvent (NADES - LGH/lactic acid-glucose-water), ethylene glycol (EG) and water (GCE/MWCNT–LGH–EG) for the determination and...
Article
The present tutorial aims to review the most frequently reported criteria for the calculation of the limits of detection (LOD) and quantification (LOQ) in univariate calibration, summarizing their fundamentals, advantages, and limitations. The current criteria for estimating LOD and LOQ are based on diverse theoretical and/or empirical assumptions...
Article
Full-text available
In this review, recent advances and applications using multi-way calibration protocols based on the processing of multi-dimensional chromatographic data are discussed. We first describe the various modes in which multi-way chromatographic data sets can be generated, including some important characteristics that should be taken into account for the...
Article
Booksh and Kowalski, in their outstanding report, stressed that analytical chemistry has its own theory, which we all know as chemometrics. The authors indicated that chemometrics “can be used to specify exactly what information can be extracted from the data produced by any analytical instrument or method”. In accordance with this argument, it can...
Article
Multi-way calibration based on second-order data constitutes a revolutionary milestone for analytical applications. However, most classical chemometric models assume that these data fulfil the property of low rank bilinearity, which cannot be accomplished by all instrumental methods. Indeed, various techniques are able to generate non-bilinear data...
Article
A novel analytical method using voltammetric second-order modeling based on multivariate curve resolution-alternating least-square (MCR-ALS) is presented for the first time for the quantitation of carvacrol (CAR) in oregano essential oils (OEO). The second-order cyclic voltammetry data were generated on the basis that CAR shows a diffusional system...
Article
This article reports results of one of our projects related to the investigation of interactions of miglitol (MIG) with normal human serum albumin (HSA) and glycated HSA (GHSA) with the help of recording spectroscopic and electrochemical data. The experimental data were analyzed by conventional and chemometric methods to extract useful information...
Article
The use of data fusion methodologies has increased at the same rhythm as the capability of modern analytical laboratories of measuring sample from multiple sources. Almost all data fusion strategies can be grouped into three levels, they fuse the data differently with the sole aim of obtaining a better response (qualitative or quantitative) than th...
Article
In this investigation, the fermentation step of a standard mammalian cell‐based industrial bioprocess for the production of a therapeutic protein was studied, with particular emphasis on the evolution of cell viability. This parameter constitutes one of the critical variables for bioprocess monitoring, since it can affect downstream operations and...
Article
this paper, we have collected useful information about interactions of dapagliflozin (DPA) with normal human serum albumin (HSA) and glycated HSA (GHSA) by using spectroscopic and electrochemical methods. Instrumental data were analyzed by graphical and conventional methods and then, the data were mathematically modeled and simultaneously analyzed...
Article
In this paper, we are going to report results of one of our projects in which we have investigated binding and inhibition of myeloperoxidase (MO) by bivalirudin (BV) with the help of electrochemical and spectroscopic techniques assisted by chemometric methods. Different electrochemical and spectroscopic data were combined or individually used to ju...
Article
Six veterinary active ingredients (imidacloprid, albendazole, fenbendazole, praziquantel, fipronil and permethrin) were extracted and quantified by liquid chromatography with diode array detection in water samples from a wetland system used for the treatment of waste from a dog breeding plant. Response surface methodology, based on least-squares an...
Article
Full-text available
In Argentina, both surface and ground water are used for a diverse priority purposes, such as drinking and basic hygiene, but they are also utilized as receivers of different types of industrial and urban and suburban effluents that affect their natural composition. This activity accompanied by the increase of the population and climate changes hav...
Article
The possibility of building an interference-free calibration with first-order instrumental data with multivariate curve resolution-alternating least-squares (MCR-ALS) has been a recent topic of interest. When the protocols were successful, MCR-ALS proved to be suitable for the extraction of chemically meaningful information from first-order calibra...
Article
Tau protein (Tau) is a proline-rich protein and in this work, we have developed a very interesting strategy based on combination of electrochemistry with chemometric methods to investigate proline cis / trans isomeration effect on the Tau aggregation. To achieve this goal, the proline residues at RTPPK motif have been replaced by alanine to generat...
Article
In the present report, an upgrade of a MATLAB graphical user interface (GUI) toolbox for implementing first-order multivariate calibration models is presented. The new freely available Multivariate Calibration 1 (MVC1_GUI) incorporates new models and features that make it a very versatile tool for data processing. In addition to the linear models,...
Article
Full-text available
By this article, we are going to report results of one of works which has been performed on investigation of the binding and inhibition of catalase (CAT) by ascorbate (ASC). To achieve this goal, different electrochemical experiments have been performed and their data have been analyzed by conventional and chemometric methods. Conventional methods...
Article
In this project, our research group has performed an interesting work in which interactions of acarbose (ACB) with normal human serum albumin (HSA) and glycated HSA (GHSA) have been investigated by chemometrics assisted-electrochemical and spectroscopic techniques. To have a deep insight to the interactions of ACB with HSA and GHSA, different elect...
Article
Second-order based calibration methods have been widely investigated capitalizing on the inherent benefits of the data structure and the decomposition models, demonstrating that second-order advantage is a property that conspires to a high likelihood success in the resolution of systems of varying complexity. This work aims to demonstrate the appli...
Article
The use of machine learning for multivariate spectroscopic data analysis in applications related to process monitoring has become very popular, since non-linearities in the relationship be-tween signal and predicted variables are commonly observed. In this regard, the use of artificial neural networks (ANN) to develop calibration models has demonst...
Article
A new algorithm using Ant Colony Optimization (ACO) for selection of variables in linear discriminant analysis (LDA) is presented. The role of ACO is explored in the context of LDA classification in which spectral variable multi-collinearity is a known cause of generalization problems. The proposed ACO-LDA presents a meta-heuristic that mimics the...
Article
Full-text available
In this work, for the first time, we have developed a novel and very interesting electroanalytical methodology assisted by first-order multivariate calibration (MVC) for simultaneous determination of doxorubicin (DX), daunorubicin (DN) and idarubicin (ID) as three chemotherapeutic drugs at simulated physiological conditions. A sever overlapping was...
Article
The aim of this study was to develop a fluorescence-detection based analytical methodology consisting in the photolysis of abacavir induced by UV irradiation to determine the concentration of the analyte in complex samples. Initially, with the goal of maximizing the fluorescence signal, the optimal experimental conditions were determined by means o...
Article
A novel extraction strategy for the determination of imidacloprid, thiamethoxam and clothianidin in soy cotyledons by liquid chromatography was developed based on the implementation of an in-syringe-dispersive liquid-liquid microextraction system, optimized through successive experimental designs. First, a fractional factorial design was built to s...
Article
Capillary electrophoresis with diode array detection (CE-DAD) and multidimensional fluorescence spectroscopy (EEM) second-order data were fused and chemometrically processed for geographical and grape variety classification of wines. Multi-levels data fusion strategies on three-way data were evaluated and compared revealing their advantages/disadva...
Article
This review presents applications of response surface methodology (RSM) when mixture experiments are involved for the optimization in the field of analytical methods development. Several critical issues such as sort of designs, modeling with least squares or artificial neural networks, and multiple response optimization are discussed. The results o...
Article
In this work, a novel and efficient aptasensor assisted by a computerized monitoring system namely SACMES was introduced for real time determination of the prostate specific antigen (PSA). The platform of the aptasensor was a glassy carbon electrode (GCE) modified with graphene quantum dots-chitosan-nafion-ionic liquid/multiwalled carbon nanotubes-...
Article
Full-text available
In this work, a novel and very interesting analytical methodology based on coupling of digital image processing and three-way calibration has been developed for determination of nitrite in food samples. Nitrite in contact with Griess reagent is able to produce a red-colored azo dye whose color intensity is correlated with nitrite concentration and...
Article
Two multiple response optimization methodologies were applied and compared to obtain an optimum combination medium formulation for culturing the yeast Rhodotorula graminis: (1) desirability function, and (2) pareto-optimal front by means of genetic algorithms (POF-GA). The concentration of microbial lipids, a raw material for the production of biod...
Article
In the last years, regulatory agencies in biopharmaceutical industry have promoted the design and implementation of Process Analytical Technology (PAT), which aims to develop rapid and high-throughput strategies for real-time monitoring of bioprocesses key variables, in order to improve their quality control lines. In this context, spectroscopic te...
Article
Full-text available
This review presents applications of liquid phase microextraction (LPME) for extracting analytes in complex samples. This process has been introduced to simplify the extraction methods, and enhance the selectivity, sample cleanup and efficiency, allowing the extraction of a wide variety of analytes. The revision was focused on those works in which...
Article
In this work, the use of design of experiments and posterior data modelling by artificial neural network (ANN) and least squares (LS) is presented as a suitable analytical tool for the performance optimization of a tandem mass spectrometric detector coupled to ultra-high performance liquid chromatography for the analysis of seventeen veterinary dru...
Article
Full-text available
In this work, a novel biosensor was fabricated for detection of DNA damage induced by 4-nonylphenol (NP) and also determination of NP. To achieve this goal, a glassy carbon electrode (GCE) was modified with chitosan (Chit), gold nanoparticles (Au NPs) and DNA-multiwalled carbon nanotubes (DNA-MWCNTs). Then, the DNA-MWCNTs/Au NPs/Chit/GCE was incuba...
Article
Full-text available
In this work, we are going to study the interactions of cabergoline (CBG) with human serum albumin (HSA) by mathematical modeling of voltammetric and spectroscopic data. To achieve this goal, voltammetric and spectroscopic data will be augmented into a data matrix which will be resolved by multivariate curve resolutionalternating least squares (MCR...
Article
Full-text available
This work reports the results of an interesting study related to the investigation of interactions of bromocriptine (BCP) with human serum albumin (HSA) by mathematicall modelling of voltammetric and spectroscopic data into an augmented data matrix and its resolution by multivariate curve resolution-alternating least squares (MCRALS). The quality o...
Article
Full-text available
The use of fluoroquinolones for the treatment of infections in humans and animals has increased in Argentina, concurrently with the possibility of finding them in large amount in water bodies. In the present work, the occurrence and associated ecological risk of five fluoroquinolones were investigated in rivers and farm wastewaters of San Luis, San...
Article
The latest advances in both theory and experimental procedures on third-order/four-way and fourth-order/five-way calibration methods are discussed. This report is focused on excitation–emission (fluorescence and phosphorescence) matrices generation, employing different variables as the third data mode (time retention in chromatography, pH gradient,...
Article
Fluorescence spectroscopy in combination with chemometrics has proved to be a powerful tool for the study of complex systems with analytical purposes. Under ideal conditions, multidimensional fluorescence data have the natural property of fulfilling the mathematical concepts of bilinearity and trilinearity, which is a key for chemometric modelling....
Article
This paper reports results of a valuable study on investigation of inhibitory effects of the sulfonamide derivative of quercetin (QD) on human carbonic anhydrase II (CA-II) by electrochemical and chemometrical approaches. To achieve this goal, a glassy carbon electrode (GCE) was chosen as the sensing platform and different electrochemical technique...
Article
In this work, a novel electrochemical biosensor has been fabricated based on step-by-step modification of a glassy carbon electrode (GCE) with methylene blue (MB)-DNA/multiwalled carbon nanotubes (MWCNTs)- chitosan (CS)/palladium nanoparticles (Pd NPs)/fullerene C60 (C60) for voltammetric and impedimetric detection of DNA damage induced by bispheno...
Article
In the present study, we have developed a novel electroanalytical method based on coupling of four-way multivariate calibration (MVC) models with third-order differential pulse voltammetric (DPV) data for simultaneous determination of amaranth (AM), tartrazine (TT) and quinoline yellow (QY) in the presence of sunset yellow (SY) as uncalibrated inte...
Article
This work presents the development of a strategy for the quantitation of 2-hydroxy-4-methoxybenzophenone (BP-3) in mice serum and human plasma. The instrumental determination only lasts 2 min and is based on ultra-high-performance liquid chromatography (UHPLC) coupled to second-order data modeling with multivariate curve resolution-alternating leas...
Article
In this work, a novel electrochemical biosensor has been fabricated based on step-by-step modification of a glassy carbon electrode (GCE) with methylene blue (MB)-DNA/multiwalled carbon nanotubes (MWCNTs)-chitosan (CS)/palladium nanoparticles (Pd NPs)/fullerene C 60 (C 60 ) for voltammetric and impedimetric detection of DNA damage induced by bisphe...
Article
Full-text available
Fluorescence excitation-emission matrix spectroscopy coupled to multi-way analysis has proved to be a powerful tool for the study of complex systems with analytical purposes. However, scattering phenomena that are usually present in fluorescence landscapes can significantly affect the performance of the chemometric modelling or lead to misinterpret...
Article
Full-text available
In this work, a novel impedimetric biosensor has been fabricated for detection of DNA damage induced by doxorubicin (DX). Cytochrome P450 reductase (CPR) is required for electron transfer from nicotinamide adenine dinucleotide phosphate (NADPH) to cytochrome P450 (CP450) which causes DX to undergo a oneelectron reduction of the p-quinone residue to...
Article
A novel method for the determination of pirimiphos-methyl (PMM) in maize grains by fluorescence spectroscopy and three-way calibration was developed. The formation of supramolecular complexes and their effect on the luminescence properties of PMM were studied. A solvent extraction step followed by solid phase extraction for sample clean-up was opti...
Article
MATLAB (MATrix LABoratory) is a multi-paradigm numerical computing environment and fourth-generation programming language. MATLAB allows matrix manipulations, plotting of functions and data, implementation of algorithms, creation of user interfaces and interfacing with programs written in other languages, including C, C++, Java, Fortran and Python....
Article
In this work, aiming at exploiting the essential particularities of modulation excitation spectroscopy (MES) coupled to phase sensitive detection (PSD) and chemometrics, a data analysis procedure was implemented to analyze phase-resolved infrared (IR) data. The fundamental principle of the proceedings is the application of successive multivariate c...
Article
In this work, we have fabricated a novel amperometric cholesterol (CHO) biosensor because of the importance of determination of CHO levels in blood which is an important parameter for diagnosis and prevention of disease. To achieve this goal, cholesterol oxidase, cholesterol esterase and horseradish peroxidase were simultaneously co-immobilized ont...
Article
According to the recently rumors about abusing of sodium dithionite (SDT) in baking bread by some bakers, we motivated to plan a study to fabricate an electrochemical SDT sensor. This work reports our results on fabricating a novel and high performance electrochemical sensor based on AuPd nanoparticles (AuPd NPs)/chitin-ionic liquid (Ch-IL)/ferroce...
Article
Full-text available
This review outlines some of the challenging aspects of applying second-order data modeling in classification issues analyzing selected examples of current applications. The main analytical platforms used for classification are briefly discussed from the application point of view, and the utilization of the generated data is illustrated. After a cr...
Article
Full-text available
In this work, a direct in-flow methodology for the acquisition of excitation-emission fluorescence matrices is presented. The system is particularly suited for measurements in the order of tens of milliseconds. A light source operated in continuous mode is dispersed through a grating and focused onto a square-section capillary. Under the spatially...
Article
Full-text available
A novel, simple, easy and cheap sample treatment strategy based on salting-out assisted liquid-liquid extraction (SALLE) for ochratoxin A (OTA) ultra-trace analysis in beer samples using ultra-high performance liquid chromatography-tandem mass spectrometry determination was developed. The factors involved in the efficiency of pretreatment were stud...
Article
This paper proposes a new variable selection method for nonlinear multivariate calibration, combining the Successive Projections Algorithm for interval selection (iSPA) with the Kernel Partial Least Squares (Kernel-PLS) modelling technique. The proposed iSPA-Kernel-PLS algorithm is employed in a case study involving a Vis-NIR spectrometric dataset...
Article
Full-text available
For the first time, a novel analytical method based on a paper based enzymatic biosensor assisted by digital image processing and first-order multivariate calibration has been reported for rapid determination of nitrate in food samples. The platform of the biosensor includes a piece of Whatman filter paper impregnated with Griess reagent (3-nitroan...
Article
In this work, voltammetric data recorded at a glassy carbon electrode (GCE) were separately used to investigate the interactions of entacapone (Comtan, CAT) with human serum albumin (HSA). Then, an augmented data matrix was constructed by the combination of voltammetric and spectroscopic data and simultaneously analysed by multivariate curve resolu...
Article
In this work, voltammetric data recorded by a glassy carbon electrode (GCE) was used to investigate the interactions of tolcapone (Tasmar, TAS) with human serum albumin (HSA) at the electrode surface. The recorded voltammetric data was also combined with spectroscopic data to construct an augmented data matrix which was analysed by multivariate cur...
Article
In this work, we are going to develop an efficient electroanalytical methodology based on generation of second-order differential pulse voltammetric (DPV) data at different pulse heights to exploit second-order advantage for simultaneous determination of levodopa (LDP), carbidopa (CDP), methyldopa (MDP), benserazide (BA), tolcapone (TOL) and entaca...
Article
A low-level data fusion strategy was developed and implemented for data processing of second-order liquid chromatographic data with dual detection, i.e. absorbance and fluorescence monitoring. The synergistic effect of coupling individual information provided by two different detectors was evaluated by analyzing the results gathered after the appli...
Article
In this work, fabrication of a novel and ultrasensitive electrochemical biosensor based on immobilization of tyrosine hydroxylase onto palladium-platinum bimetallic alloy nanoparticles/chitosan-1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide/graphene-multiwalled carbon nanotubes-IL/glassy carbon electrode for determination of L-tyros...
Chapter
In this chapter, the state-of-the-art multiway calibration methods used to perform quality control of food samples are discussed. Several examples of multidimensional chemometric methods developed to directly quantitate analytes of interest in complex systems even in the presence of interferences, which is known as the "second-order advantage," are...
Chapter
In this chapter, the analysis of chromatographic data generated by the current instrumentation is addressed. The evolution and advances achieved when going from zeroth-order (univariate) to third-order data are discussed, taking into account the advantages and limitations when using each type of data, specifically focused on liquid chromatography....
Article
SRO_ANN, a MatLab® toolbox for implementing multiple surface response optimization by artificial neural networks (SRO_ANN) is presented. Radial basis functions, a type of artificial neural networks, are applied through an easily managed graphical user interface. A detailed description of the interface is provided, including a simulated and two lite...
Article
In the current analytical chemistry, even though the modeling of higher-order data can result attractive, the generation of this kind of data implies some automation challenges, which are mainly related to the hidden programming languages and electronic details of the equipment. When techniques and/or equipment hyphenation is the key to obtain high...