{"title":"Instrumental prediction of in vivo sensory properties of emollients to allow the development of new biobased ingredients","authors":"Floriane Rischard , Amandine Flourat , Ecaterina Gore , Géraldine Savary","doi":"10.1016/j.chemolab.2025.105559","DOIUrl":null,"url":null,"abstract":"<div><div>An important step in the development of novel cosmetic ingredients is the setting up of sensory analyses to assess their tactile properties. A recent work allowed the obtention of 12 novel biobased emollients with interesting physico-chemical properties. Four of the most promising emollients were selected in the present study and their safety was tested to ensure they are suitable for use on human skin. Their tactile properties, along with ten commercial emollients, were assessed by 16 expert assessors: circular spreading behavior, thickness of residual film and slippery after feel. In addition to characterizing a wide range of emollients, the results made possible the establishment of three predictive models using Partial Least Squares regressions. These original models correspond to various sensory attributes of the emollients, both during and after their application on the skin. All predictive models were then validated by leave-one-out cross validations. Only three instrumental parameters (viscosity, friction, stickiness) were necessary to build the models and predict the tactile properties. This approach was then applied to the eight other biobased emollients that were not initially used to establish the predictions in order to validate the models. Results demonstrate the significant value of such models for developing new ingredients. Ultimately, these predictive models could override the time-consuming and costly process of safety testing and sensory analyses in the research in development of future newly produced emollients for dermocosmetic applications.</div></div>","PeriodicalId":9774,"journal":{"name":"Chemometrics and Intelligent Laboratory Systems","volume":"268 ","pages":"Article 105559"},"PeriodicalIF":3.8000,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemometrics and Intelligent Laboratory Systems","FirstCategoryId":"94","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0169743925002448","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/10/30 0:00:00","PubModel":"Epub","JCR":"Q2","JCRName":"AUTOMATION & CONTROL SYSTEMS","Score":null,"Total":0}
引用次数: 0
Abstract
An important step in the development of novel cosmetic ingredients is the setting up of sensory analyses to assess their tactile properties. A recent work allowed the obtention of 12 novel biobased emollients with interesting physico-chemical properties. Four of the most promising emollients were selected in the present study and their safety was tested to ensure they are suitable for use on human skin. Their tactile properties, along with ten commercial emollients, were assessed by 16 expert assessors: circular spreading behavior, thickness of residual film and slippery after feel. In addition to characterizing a wide range of emollients, the results made possible the establishment of three predictive models using Partial Least Squares regressions. These original models correspond to various sensory attributes of the emollients, both during and after their application on the skin. All predictive models were then validated by leave-one-out cross validations. Only three instrumental parameters (viscosity, friction, stickiness) were necessary to build the models and predict the tactile properties. This approach was then applied to the eight other biobased emollients that were not initially used to establish the predictions in order to validate the models. Results demonstrate the significant value of such models for developing new ingredients. Ultimately, these predictive models could override the time-consuming and costly process of safety testing and sensory analyses in the research in development of future newly produced emollients for dermocosmetic applications.
期刊介绍:
Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines.
Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data.
The journal deals with the following topics:
1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.)
2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered.
3) Development of new software that provides novel tools or truly advances the use of chemometrical methods.
4) Well characterized data sets to test performance for the new methods and software.
The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.