title: Predicting the composition of red wine blends using an array of multicomponent Peptide-based sensors.
abstract: Differential sensing using synthetic receptors as mimics of the mammalian senses of taste and smell is a powerful approach for the analysis of complex mixtures. Herein, we report on the effectiveness of a cross-reactive, supramolecular, peptide-based sensing array in differentiating and predicting the composition of red wine blends. Fifteen blends of Cabernet Sauvignon, Merlot and Cabernet Franc, in addition to the mono varietals, were used in this investigation. Linear Discriminant Analysis (LDA) showed a clear differentiation of blends based on tannin concentration and composition where certain mono varietals like Cabernet Sauvignon seemed to contribute less to the overall characteristics of the blend. Partial Least Squares (PLS) Regression and cross validation were used to build a predictive model for the responses of the receptors to eleven binary blends and the three mono varietals. The optimized model was later used to predict the percentage of each mono varietal in an independent test set composted of four tri-blends with a 15% average error. A partial least square regression model using the mouth-feel and taste descriptive sensory attributes of the wine blends revealed a strong correlation of the receptors to perceived astringency, which is indicative of selective binding to polyphenols in wine.
authors.affiliation: Department of Chemistry, The University of Texas at Austin; 105 E 24th St. Mail Stop A5300, Austin, TX 78712-1224, USA. eman.ghanem@austin.utexas.edu.
authors.forename: Eman
authors.initials: E
authors.lastname: Ghanem
authors.affiliation: Department of Viticulture and Enology, University of California; One Shields Ave., Davis, CA 95616-5270, USA. helene.hopfer@gmail.com.
authors.forename: Helene
authors.initials: H
authors.lastname: Hopfer
authors.affiliation: Freshman Research Initiative, The University of Texas at Austin, 1 University Station, Mail Stop G2550, Austin, TX 78712, USA. andrea.nav.13@gmail.com.
authors.forename: Andrea
authors.initials: A
authors.lastname: Navarro
authors.affiliation: Freshman Research Initiative, The University of Texas at Austin, 1 University Station, Mail Stop G2550, Austin, TX 78712, USA. mx.ritz@gmail.com.
authors.forename: Maxwell S
authors.initials: MS
authors.lastname: Ritzer
authors.affiliation: Freshman Research Initiative, The University of Texas at Austin, 1 University Station, Mail Stop G2550, Austin, TX 78712, USA. lina_mahmood@hotmail.com.
authors.forename: Lina
authors.initials: L
authors.lastname: Mahmood
authors.affiliation: Freshman Research Initiative, The University of Texas at Austin, 1 University Station, Mail Stop G2550, Austin, TX 78712, USA. morgan.fredell@gmail.com.
authors.forename: Morgan
authors.initials: M
authors.lastname: Fredell
authors.affiliation: Freshman Research Initiative, The University of Texas at Austin, 1 University Station, Mail Stop G2550, Austin, TX 78712, USA. ashleycubley@gmail.com.
authors.forename: Ashley
authors.initials: A
authors.lastname: Cubley
authors.affiliation: Freshman Research Initiative, The University of Texas at Austin, 1 University Station, Mail Stop G2550, Austin, TX 78712, USA. bolenjb@gmail.com.
authors.forename: Jessica
authors.initials: J
authors.lastname: Bolen
authors.affiliation: Freshman Research Initiative, The University of Texas at Austin, 1 University Station, Mail Stop G2550, Austin, TX 78712, USA. rabia.fattah@gmail.com.
authors.forename: Rabia
authors.initials: R
authors.lastname: Fattah
authors.affiliation: Freshman Research Initiative, The University of Texas at Austin, 1 University Station, Mail Stop G2550, Austin, TX 78712, USA. katherine.teasdale@utexas.edu.
authors.forename: Katherine
authors.initials: K
authors.lastname: Teasdale
authors.affiliation: Freshman Research Initiative, The University of Texas at Austin, 1 University Station, Mail Stop G2550, Austin, TX 78712, USA. linh.lieu16@yahoo.com.
authors.forename: Linh
authors.initials: L
authors.lastname: Lieu
authors.affiliation: Freshman Research Initiative, The University of Texas at Austin, 1 University Station, Mail Stop G2550, Austin, TX 78712, USA. tchua93@gmail.com.
authors.forename: Tedmund
authors.initials: T
authors.lastname: Chua
authors.affiliation: Department of Chemistry, University of Rome "La Sapienza", P.le Aldo Moro 5, Rome I-00185, Italy. federico.marini@uniroma1.it.
authors.forename: Federico
authors.initials: F
authors.lastname: Marini
authors.affiliation: Department of Viticulture and Enology, University of California; One Shields Ave., Davis, CA 95616-5270, USA. hheymann@ucdavis.edu.
authors.forename: Hildegarde
authors.initials: H
authors.lastname: Heymann
authors.affiliation: Department of Chemistry, The University of Texas at Austin; 105 E 24th St. Mail Stop A5300, Austin, TX 78712-1224, USA. anslyn@austin.utexas.edu.
authors.forename: Eric V
authors.initials: EV
authors.lastname: Anslyn
mesh_terms: D015374:Biosensing Techniques / Q000379:methods*; D016018:Least-Squares Analysis; D008962:Models, Theoretical; D009812:Odorants / Q000032:analysis; D010449:Peptide Mapping; D010455:Peptides / Q000737:chemistry*; D059808:Polyphenols / Q000032:analysis / Q000737:chemistry; D012903:Smell; D013634:Tannins / Q000032:analysis / Q000737:chemistry; D013649:Taste; D027843:Vitis / Q000737:chemistry*; D014920:Wine / Q000032:analysis*
chemical_list: D010455:Peptides; D059808:Polyphenols; D013634:Tannins
keywords: blends; differential sensing; supramolecular sensors; tannins; wine