Madeira wine ageing prediction based on different analytical techniques: UV-vis, GC-MS, HPLC-DAD was written by Pereira, Ana C.;Reis, Marco S.;Saraiva, Pedro M.;Marques, Jose C.. And the article was included in Chemometrics and Intelligent Laboratory Systems in 2011.Formula: C7H14O3 The following contents are mentioned in the article:
The present work aims to analyze the feasibility of different anal. measurement procedures for Madeira wine ageing prediction. In order to properly identify and quantify the chem. compounds qualified for characterizing wine evolution during the ageing period, chromatog. and spectroscopic analyses were carried out. Twenty-six samples, representative of ten harvest years and covering an ageing period of 20 years, were analyzed in terms of their volatile and phenolic composition, as well as characterized in terms of absorbance measurements in the UV and Visible region. Then, multivariate prediction models were established by applying PLS regression to each chem. data set, after which they were compared in terms of their ageing prediction ability. The optimum number of PLS dimensions to consider in each estimated model was obtained based on the minimization of the root mean squared error of Monte Carlo validation. With such estimated models, the prediction interval estimates based on the bootstrap percentile approach were also computed for the available samples, in order to test model’s prediction ability, once each sample is successively removed from the data set. Our anal. shows that Madeira wine age, produced from a known grape variety, can be predicted with good accuracy from its volatile and phenolic composition, as well as from UV-vis absorbance measurements. The PLS models estimated are able to predict wine age with a root mean square error of 0.9, 1.1, and 1.4 years, resp. The sample-specific prediction intervals computed also allowed for the anal. of differences between observed and predicted values, and confirmed the interesting wine age prediction abilities of the proposed methodologies. A compromise between model accuracy and cost of anal. can be established in order to decide which methodol. to use, according to the particular application scenario, as the more time-consuming and complex techniques (GC-MS and HPLC-DAD) are also those leading to more accurate results, but UV-vis also enabled us to come up with acceptable age predictions. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Formula: C7H14O3).
Ethyl 3-ethoxypropanoate (cas: 763-69-9) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Formula: C7H14O3
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics