Application of Chemometrics in Biosensing: A Brief Review

The field of biosensing is rapidly developing, and the number of novel sensor architectures and different sensing elements is growing fast. One of the most important features of all biosensors is their very high selectivity stemming from the use of bioreceptor recognition elements. The typical calibration of a biosensor requires simple univariate regression to relate a response value with an analyte concentration. Nevertheless, dealing with complex real-world sample matrices may sometimes lead to undesired interference effects from various components. This is where chemometric tools can do a good job in extracting relevant information, improving selectivity, circumventing a non-linearity in a response. This brief review aims to discuss the motivation for the application of chemometric tools in biosensing and provide some examples of such applications from the recent literature.

[1]  Daniel Cozzolino,et al.  The Application of State-of-the-Art Analytic Tools (Biosensors and Spectroscopy) in Beverage and Food Fermentation Process Monitoring , 2017 .

[2]  A. Ellington,et al.  Differential sensing of MAP kinases using SOX-peptides. , 2014, Angewandte Chemie.

[3]  A. Legin,et al.  QSPR modeling of potentiometric sensitivity towards heavy metal ions for polymeric membrane sensors , 2019 .

[4]  J. Hart,et al.  A screen-printed, amperometric biosensor array incorporated into a novel automated system for the simultaneous determination of organophosphate pesticides. , 2011, Biosensors & bioelectronics.

[5]  Maria Luz Rodriguez-Mendez,et al.  The advantages of disposable screen-printed biosensors in a bioelectronic tongue for the analysis of grapes , 2015 .

[6]  L. Su,et al.  Evaluation of joint toxicity of nitroaromatic compounds and copper to Photobacterium phosphoreum and QSAR analysis. , 2012, Journal of hazardous materials.

[7]  Merlin Raud,et al.  Bioelectronic tongue and multivariate analysis: a next step in BOD measurements. , 2013, Water research.

[8]  Nicholas A Peppas,et al.  Molecular docking simulations for macromolecularly imprinted polymers. , 2011, Industrial & engineering chemistry research.

[9]  Serge Kokot,et al.  Simultaneous enzymatic kinetic determination of pesticides, carbaryl and phoxim, with the aid of chemometrics. , 2007, Analytica chimica acta.

[10]  Marco Giannetto,et al.  Analytical systems and metrological traceability of measurement data in food control assessment , 2018, TrAC Trends in Analytical Chemistry.

[11]  J. Emnéus,et al.  Multivariate data analysis of dynamic amperometric biosensor responses from binary analyte mixtures-application of sensitivity correction algorithms. , 2005, Talanta.

[12]  M. Valle.  Electronic Tongues Employing Electrochemical Sensors , 2010 .

[13]  Jean-Louis Marty,et al.  Rapid determination of pesticide mixtures using disposable biosensors based on genetically modified enzymes and artificial neural networks , 2012 .

[14]  Charlotte Carlsson,et al.  Prediction of wastewater quality using amperometric bioelectronic tongues. , 2016, Biosensors & bioelectronics.

[15]  Tormod Næs,et al.  Chemometrics in foodomics: Handling data structures from multiple analytical platforms , 2014 .

[16]  A. Legin,et al.  QSPR Modeling of Potentiometric Mg 2+ /Ca 2+ Selectivity for PVC‐plasticized Sensor Membranes , 2020 .

[17]  Heng Tao Shen,et al.  Principal Component Analysis , 2009, Encyclopedia of Biometrics.

[18]  Nathalia Peixoto,et al.  Intelligent Multi-Electrode Arrays as the Next Generation of Electrochemical Biosensors for Real-Time Analysis of Neurotransmitters , 2018, 2018 IEEE International Symposium on Medical Measurements and Applications (MeMeA).

[19]  M. del Valle,et al.  Automated SIA e‐Tongue Employing a Voltammetric Biosensor Array for the Simultaneous Determination of Glucose and Ascorbic Acid , 2006 .

[20]  Subinoy Rana,et al.  Sensing of proteins in human serum using conjugates of nanoparticles and green fluorescent protein. , 2009, Nature chemistry.

[21]  J. Marty,et al.  Improved multianalyte detection of organophosphates and carbamates with disposable multielectrode biosensors using recombinant mutants of Drosophila acetylcholinesterase and artificial neural networks. , 2000, Biosensors & bioelectronics.

[22]  Alisa Rudnitskaya,et al.  Calibration Update and Drift Correction for Electronic Noses and Tongues , 2018, Front. Chem..

[23]  Susana Cardoso,et al.  Detection of BCG bacteria using a magnetoresistive biosensor: A step towards a fully electronic platform for tuberculosis point-of-care detection. , 2018, Biosensors & bioelectronics.

[24]  J. Rayappan,et al.  Cyclic voltammetric acetylcholinesterase biosensor for the detection of captan in apple samples with the aid of chemometrics , 2015, Analytical and Bioanalytical Chemistry.

[25]  S. Alegret,et al.  Determination of phenolic compounds by a polyphenol oxidase amperometric biosensor and artificial neural network analysis. , 2005, Biosensors & bioelectronics.

[26]  L. Nørgaard,et al.  Chemometric exploration of an amperometric biosensor array for fast determination of wastewater quality. , 2005, Biosensors & bioelectronics.

[27]  Yanqing Zhang,et al.  Modeling the excitation wavelengths (λex) of boronic acids , 2008, Journal of molecular modeling.

[28]  Jesper G. Wiklander,et al.  Theoretical and Computational Strategies for the Study of the Molecular Imprinting Process and Polymer Performance. , 2015, Advances in biochemical engineering/biotechnology.

[29]  Jean-Louis Marty,et al.  Electronic Tongue Using an Enzyme Inhibition Biosensor Array for the Resolution of Pesticide Mixtures , 2008 .

[30]  Yi Sun,et al.  Molecularly imprinted polymers for sample preparation and biosensing in food analysis: Progress and perspectives. , 2017, Biosensors & bioelectronics.

[31]  S. Wold,et al.  PLS-regression: a basic tool of chemometrics , 2001 .

[32]  S. Jha,et al.  Optical biosensors for food quality and safety assurance—a review , 2012, Journal of Food Science and Technology.

[33]  Daan Frenkel,et al.  Rational design of molecularly imprinted polymers. , 2016, Soft matter.

[34]  Magnus Malmqvist,et al.  QSAR studies applied to the prediction of antigen-antibody interaction kinetics as measured by BIACORE. , 2002, Protein engineering.

[35]  Jean-Louis Marty,et al.  Automated flow based biosensor for quantification of binary organophosphates mixture in milk using artificial neural network , 2015 .

[36]  R. Bro.  Multiway calibration. Multilinear PLS , 1996 .

[37]  T. Kaoud,et al.  Quantification of ERK kinase activity in biological samples using differential sensing. , 2019, ACS chemical biology.

[38]  Xuan Weng,et al.  Biosensors for Sustainable Food Engineering: Challenges and Perspectives , 2018, Biosensors.

[39]  R. J. Krupadam,et al.  Combinatorial screening of polymer precursors for preparation of benzo[α] pyrene imprinted polymer: an ab initio computational approach , 2012, Journal of Molecular Modeling.

[40]  Manel del Valle,et al.  Evaluation of red wines antioxidant capacity by means of a voltammetric e-tongue with an optimized sensor array , 2014 .

[41]  A. Mani-Varnosfaderani,et al.  Rapid and simultaneous determination of tetracycline and cefixime antibiotics by mean of gold nanoparticles-screen printed gold electrode and chemometrics tools , 2014 .

[42]  Manel del Valle,et al.  Assessment of Individual Polyphenol Content in Beer by Means of a Voltammetric BioElectronic Tongue , 2013 .

[43]  K. J. Babu,et al.  Design and development of electrochemical biosensor for the simultaneous detection of melamine and urea in adulterated milk samples , 2017 .

[44]  Henrik Kempe,et al.  Novel Method for the Synthesis of Molecularly Imprinted Polymer Bead Libraries , 2004 .

[45]  Eugene N. Muratov,et al.  QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery , 2018, Front. Pharmacol..

[46]  Lauro T. Kubota,et al.  Dual amperometric biosensor device for analysis of binary mixtures of phenols by multivariate calibration using partial least squares , 2003 .

[47]  Joseph Wang.  Electrochemical glucose biosensors. , 2008, Chemical reviews.

[48]  Andrea D. Magrì,et al.  Artificial neural networks in chemometrics: History, examples and perspectives , 2008 .

[49]  V. Rotello,et al.  Sensing of Proteins in Human Serum using Nanoparticle-Green Fluorescent Protein Conjugates , 2009, Nature chemistry.

[50]  Eric V Anslyn,et al.  A general approach to differential sensing using synthetic molecular receptors. , 2010, Current opinion in chemical biology.

[51]  Eric V. Anslyn,et al.  Differential sensing for the regio- and stereoselective identification and quantitation of glycerides , 2015, Proceedings of the National Academy of Sciences.

[52]  Zunyao Wang,et al.  Acute toxicity of benzophenone-type UV filters for Photobacterium phosphoreum and Daphnia magna: QSAR analysis, interspecies relationship and integrated assessment. , 2015, Chemosphere.

[53]  Spyridon Kintzios,et al.  Pesticide Residue Screening Using a Novel Artificial Neural Network Combined with a Bioelectric Cellular Biosensor , 2013, BioMed research international.

[54]  M. Pividori,et al.  Resolution of phenolic antioxidant mixtures employing a voltammetric bio-electronic tongue. , 2012, The Analyst.

[55]  Vincent M. Rotello,et al.  Cell surface-based differentiation of cell types and cancer states using a gold nanoparticle-GFP based sensing array , 2010 .

[56]  D. Margulies,et al.  Targeted protein surface sensors as a tool for analyzing small populations of proteins in biological mixtures. , 2014, Angewandte Chemie.

[57]  S. Lutz,et al.  Quantitative Detection of Nucleoside Analogues by Multi‐enzyme Biosensors using Time‐Resolved Kinetic Measurements , 2016, ChemMedChem.

[58]  Vincent M. Rotello,et al.  Enzyme-amplified array sensing of proteins in solution and in biofluids. , 2010, Journal of the American Chemical Society.

[59]  J. Marty,et al.  Automated resolution of dichlorvos and methylparaoxon pesticide mixtures employing a Flow Injection system with an inhibition electronic tongue. , 2009, Biosensors & bioelectronics.

[60]  Optimisation of the synthesis of vancomycin-selective molecularly imprinted polymer nanoparticles using automatic photoreactor , 2014, Nanoscale Research Letters.

[61]  A. Olivieri.  Analytical figures of merit: from univariate to multiway calibration. , 2014, Chemical reviews.

[62]  Hadi Parastar,et al.  Analytical figures of merit for multisensor arrays. , 2020, ACS sensors.

[63]  D. B. Hibbert,et al.  Multi-analyte sensing: a chemometrics approach to understanding the merits of electrode arrays versus single electrodes. , 2008, The Analyst.

[64]  Viviana Scognamiglio,et al.  Biosensing technology for sustainable food safety , 2014 .

[65]  Lijuan Huang,et al.  Simultaneous quantitative analysis of K+ and Tl+ in serum and drinking water based on UV-Vis spectra and chemometrics. , 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[66]  Rong Liu,et al.  The influence of experiment design on the model precision in the noninvasive glucose sensing by near-infrared spectroscopy , 2007, SPIE/COS Photonics Asia.

[67]  Qianfen Zhuang,et al.  Label-free fluorescent catalytic biosensor for highly sensitive and selective detection of the ferrous ion in water samples using a layered molybdenum disulfide nanozyme coupled with an advanced chemometric model. , 2016, The Analyst.

[68]  G. McLachlan,et al.  Comprehensive chemometrics: chemical and biochemical data analysis , 2020 .

[69]  I. S. Scarminio,et al.  Chemometric-assisted construction of a biosensing device to measure chlorogenic acid content in brewed coffee beverages to discriminate quality. , 2020, Food chemistry.

[70]  G. S. Wilson,et al.  Electrochemical Biosensors: Recommended Definitions and Classification , 1999, Biosensors & bioelectronics.

[71]  Sook Mei Khor,et al.  Differential-based biosensor array for fluorescence-chemometric discrimination and the quantification of subtle chloropropanols by cross-reactive serum albumin scaffolding. , 2020, Talanta.

[72]  M. Mascini.  Biosensors for medical applications , 1992 .

[73]  Manel del Valle,et al.  Use of a Bioelectronic Tongue for the Monitoring of the Photodegradation of Phenolic Compounds , 2015 .

[74]  Yinghua Feng,et al.  Using microbial fuel cell output metrics and nonlinear modeling techniques for smart biosensing. , 2013, The Science of the total environment.

[75]  Feng Li,et al.  Construction of bienzyme biosensors based on combination of the one-step electrodeposition and covalent-coupled sol-gel process , 2009 .

[76]  Roberto Paolesse,et al.  Extending electronic tongue calibration lifetime through mathematical drift correction: Case study of microcystin toxicity analysis in waters , 2016 .

[77]  Amir Razmjou,et al.  Biosensors for wastewater monitoring: A review. , 2018, Biosensors & bioelectronics.

[78]  G. S. Wilson,et al.  Electrochemical biosensors: Recommended definitions and classification (Technical Report) , 1999 .

[79]  T. Noguer,et al.  Detection of glycoalkaloids using disposable biosensors based on genetically modified enzymes. , 2014, Analytical biochemistry.

[80]  Núria Serrano,et al.  Array of peptide-modified electrodes for the simultaneous determination of Pb(II), Cd(II) and Zn(II). , 2014, Talanta.

[81]  Elena Piletska,et al.  Influence of initiator and different polymerisation conditions on performance of molecularly imprinted polymers. , 2006, Biosensors & bioelectronics.

[82]  Giyoung Kim,et al.  Multivariate data analysis of impedimetric biosensor responses from Salmonella typhimurium , 2013 .