The Experts below are selected from a list of 3609 Experts worldwide ranked by ideXlab platform
Alirio E Rodrigues - One of the best experts on this subject based on the ideXlab platform.
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Perfumery radar 2 0 a step toward fragrance design and classification
Industrial & Engineering Chemistry Research, 2014Co-Authors: Miguel A Teixeira, Oscar Rodriguez, Lucas Barrault, Cindy C Carvalho, Alirio E RodriguesAbstract:Product design and engineering is one of the novel paradigms of the 21st century, aiming for the development of novel added-value products for consumers. Its application to the fragrance business for the purpose of enhancing the design and performance of perfumed products is of prime interest because nowadays three-fourths of consumer goods contain fragrances in their composition. Furthermore, fragrance design and classification is still performed on a trial-and-error basis which consequently increases products’ time to market and consumption of raw materials. The Perfumery Radar methodology was developed in the recent past as a tool for fragrance design and classification with predictive capabilities. In this study, we extend it to the Perfumery Radar 2.0, which uses typical olfactory families used by the industry but also introduces outer and inner layers for a detailed description of the odor space of fine fragrances. Furthermore, we fully validated this methodology with sensorial classifications of pe...
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Perfumery radar a predictive tool for perfume family classification
Industrial & Engineering Chemistry Research, 2010Co-Authors: Miguel A Teixeira, Oscar Rodriguez, Alirio E RodriguesAbstract:The classification of perfumes into olfactory families has been done for years on the basis of sensorial analysis or odor descriptors, but none of these methods has attained universal acceptance. In this work is presented a methodology called Perfumery radar (PR) that predicts the classification of perfumes using the olfactive families that perfumers use. The PR introduces some scientific basis, reducing the arbitrariness of perfume classification to the empirical classification of pure odorants. The odor intensity of pure fragrances in a liquid mixture is predicted using the odor value concept, considering molecular interactions between components. Radar plots are used to represent olfactory families and transform quantitative information into qualitative. Perfumery radars have been obtained for several commercial perfumes and compared with existing experimental classifications. Another validation using headspace GC analysis was also performed with satisfactory results. It is shown that the PR methodolog...
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Perfumery quaternary diagrams for engineering perfumes
Aiche Journal, 2009Co-Authors: Miguel A Teixeira, Vera G. Mata, Oscar Rodriguez, Alirio E RodriguesAbstract:The Perfumery Ternary Diagram (PTD®) methodology predicts the headspace odor character and intensity of fragrant mixtures, applying the concept of odor value (OV) to multi-component systems. This methodology is extended here to quaternary and quinary odorant systems through the use of tetrahedric diagrams. To present this new methodology, the effect of different base notes in quaternary systems of the type (limonene + geraniol + base note + ethanol) and its forming ternary subsystems has been studied. Base notes selected were: vanillin, tonalide, ambrox, and galaxolide. The Perfumery Quaternary Diagrams (PQD) of the mixtures studied show the different headspace odor character, with ambrox and galaxolide dominating most of the composition spectrum (OVmax). The methodology was also applied to the quinary mixture (limonene + geraniol + vanillin + tonalide + ethanol), and the effect of different concentrations of tonalide on the headspace is presented. © 2009 American Institute of Chemical Engineers AIChE J, 2009
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experimental validation of Perfumery ternary diagram methodology
Aiche Journal, 2008Co-Authors: Paula Gomes, Vera G. Mata, Alirio E RodriguesAbstract:The new methodology based on Perfumery Ternary Diagram® (PTD®) used to predict the odor value (OV) of a perfume mixture was updated and validated through experimental measurements of odor threshold values and headspace concentrations, using a perfume test mixture of limonene, geraniol, vanillin, and ethanol. The influence of the odor threshold values on the PTD® was considered. The experimental OV values were compared with OV values predicted by PTD® model, for the ideal case (considering no molecular interactions) and nonideal case (using UNIFAC model to account for molecular interactions). It was found that PTD® results fit reasonably well the experimental data, except for vanillin. Nevertheless, the PTD® methodology has proven to be useful in predicting the odor of perfume mixtures and to study the influence of the liquid composition on the headspace compositions, odor values, and its smell. © 2007 American Institute of Chemical Engineers AIChE J, 2008
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production of rose geranium oil using supercritical fluid extraction
Journal of Supercritical Fluids, 2007Co-Authors: Paula Gomes, Vera G. Mata, Alirio E RodriguesAbstract:Abstract The present work aims to apply the supercritical fluid extraction (SFE) with carbon dioxide as a clean technology to extract the natural essential oil from a Portuguese-grown rose geranium ( Pelargonium sp.). Geranium oil is an important ingredient in Perfumery as middle note and is a natural resource with potential to be explored in Portugal, since this plant is well adapted to our climate and soil. A new SFE equipment was designed and constructed and it was used for the extraction of geranium. The obtained extracts were characterised by GC/MS and their organoleptic quality (colour and odour) was evaluated and compared with the materials obtained by the traditional techniques—hydrodistillation and organic solvent extraction. The best extraction conditions were: extraction time of 15–30 min, temperature of 40 °C, pressure of 90–100 bar, cut fresh plant and dynamic mode. The SFE yields varied between 0.019 and 0.22%. The CO 2 geranium extract had a superior organoleptic quality, with very fresh natural floral–fruity character and a pale yellow colour, most suitable for the use in Perfumery.
Ying-yeung Yeung - One of the best experts on this subject based on the ideXlab platform.
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synthesis of macrocyclic ketones through catalyst free electrophilic halogen mediated semipinacol rearrangement application to the total synthesis of muscone
Organic Letters, 2017Co-Authors: Yi Liu, Ying-yeung YeungAbstract:A series of macrocycles were successfully prepared using electrophilic halogen-mediated semipinacol rearrangement under mild conditions. Although the expansion from small ring to medium ring is an energetically unfavorable process, the electrophilic halogenation was found to be powerful enough to override such an energy barrier. The rearranged products could further undergo Dowd–Beckwith rearrangement to give the corresponding one-carbon ring-expanded ketones. This approach has been applied to the total synthesis of the natural product (±)-muscone, which is widely used in modern Perfumery and medicines, in a two-step sequence.
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Synthesis of Macrocyclic Ketones through Catalyst-Free Electrophilic Halogen-Mediated Semipinacol Rearrangement: Application to the Total Synthesis of (±)-Muscone
2017Co-Authors: Yi Liu, Ying-yeung YeungAbstract:A series of macrocycles were successfully prepared using electrophilic halogen-mediated semipinacol rearrangement under mild conditions. Although the expansion from small ring to medium ring is an energetically unfavorable process, the electrophilic halogenation was found to be powerful enough to override such an energy barrier. The rearranged products could further undergo Dowd–Beckwith rearrangement to give the corresponding one-carbon ring-expanded ketones. This approach has been applied to the total synthesis of the natural product (±)-muscone, which is widely used in modern Perfumery and medicines, in a two-step sequence
Vera G. Mata - One of the best experts on this subject based on the ideXlab platform.
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Perfumery quaternary diagrams for engineering perfumes
Aiche Journal, 2009Co-Authors: Miguel A Teixeira, Vera G. Mata, Oscar Rodriguez, Alirio E RodriguesAbstract:The Perfumery Ternary Diagram (PTD®) methodology predicts the headspace odor character and intensity of fragrant mixtures, applying the concept of odor value (OV) to multi-component systems. This methodology is extended here to quaternary and quinary odorant systems through the use of tetrahedric diagrams. To present this new methodology, the effect of different base notes in quaternary systems of the type (limonene + geraniol + base note + ethanol) and its forming ternary subsystems has been studied. Base notes selected were: vanillin, tonalide, ambrox, and galaxolide. The Perfumery Quaternary Diagrams (PQD) of the mixtures studied show the different headspace odor character, with ambrox and galaxolide dominating most of the composition spectrum (OVmax). The methodology was also applied to the quinary mixture (limonene + geraniol + vanillin + tonalide + ethanol), and the effect of different concentrations of tonalide on the headspace is presented. © 2009 American Institute of Chemical Engineers AIChE J, 2009
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experimental validation of Perfumery ternary diagram methodology
Aiche Journal, 2008Co-Authors: Paula Gomes, Vera G. Mata, Alirio E RodriguesAbstract:The new methodology based on Perfumery Ternary Diagram® (PTD®) used to predict the odor value (OV) of a perfume mixture was updated and validated through experimental measurements of odor threshold values and headspace concentrations, using a perfume test mixture of limonene, geraniol, vanillin, and ethanol. The influence of the odor threshold values on the PTD® was considered. The experimental OV values were compared with OV values predicted by PTD® model, for the ideal case (considering no molecular interactions) and nonideal case (using UNIFAC model to account for molecular interactions). It was found that PTD® results fit reasonably well the experimental data, except for vanillin. Nevertheless, the PTD® methodology has proven to be useful in predicting the odor of perfume mixtures and to study the influence of the liquid composition on the headspace compositions, odor values, and its smell. © 2007 American Institute of Chemical Engineers AIChE J, 2008
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production of rose geranium oil using supercritical fluid extraction
Journal of Supercritical Fluids, 2007Co-Authors: Paula Gomes, Vera G. Mata, Alirio E RodriguesAbstract:Abstract The present work aims to apply the supercritical fluid extraction (SFE) with carbon dioxide as a clean technology to extract the natural essential oil from a Portuguese-grown rose geranium ( Pelargonium sp.). Geranium oil is an important ingredient in Perfumery as middle note and is a natural resource with potential to be explored in Portugal, since this plant is well adapted to our climate and soil. A new SFE equipment was designed and constructed and it was used for the extraction of geranium. The obtained extracts were characterised by GC/MS and their organoleptic quality (colour and odour) was evaluated and compared with the materials obtained by the traditional techniques—hydrodistillation and organic solvent extraction. The best extraction conditions were: extraction time of 15–30 min, temperature of 40 °C, pressure of 90–100 bar, cut fresh plant and dynamic mode. The SFE yields varied between 0.019 and 0.22%. The CO 2 geranium extract had a superior organoleptic quality, with very fresh natural floral–fruity character and a pale yellow colour, most suitable for the use in Perfumery.
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a new methodology for the definition of odor zones in Perfumery ternary diagrams
Aiche Journal, 2006Co-Authors: Vera G. Mata, Alirio E RodriguesAbstract:The new methodology called “Perfumery Ternary Diagram” helps perfumers in odor prediction, allowing a fast evaluation of the odor value in the headspace for all possible combinations of a non-ideal perfume liquid mixture with three fragrant components and one or more solvents. In this work, the determination of Perfumery Ternary Points (PTP) and Perfumery Binary Lines (PBL) is described, allowing a complete definition of Perfumery Ternary Diagram (PTD) odor zones, without the need to calculate a large number of points inside the triangle region. The methodology of PTP and PBL determination was applied to the system: limonene, geraniol, vanillin, and ethanol. The effect of solvent—ethanol—on the odor zones, namely on the number of PTP and on the shape of the PBL was studied, as well as the effect of the non-idealities. © 2006 American Institute of Chemical Engineers AIChE J, 2006
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Perfumery ternary diagrams ptd a new concept applied to the optimization of perfume compositions
Flavour and Fragrance Journal, 2005Co-Authors: Vera G. Mata, Paula B Gomes, Alirio E RodriguesAbstract:A new concept of Perfumery ternary diagrams (PTDs), based on an analogy between perfume pyramid structure and engineering ternary diagrams, was developed in this work. These diagrams allow a fast evaluation of the odour value in the headspace for all possible combinations of a perfume liquid mixture with three fragrant components and one solvent. A theoretical prediction of the PTD was made, based on Perfumery binary lines (PBLs) and Perfumery ternary points (PTPs). As an example, this methodology was applied to the system: benzaldehyde–2-phenylethanol–eugenol in ethanol. The effect of ethanol content in the ternary system was also studied. Copyright © 2005 John Wiley & Sons, Ltd.
Yi Liu - One of the best experts on this subject based on the ideXlab platform.
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synthesis of macrocyclic ketones through catalyst free electrophilic halogen mediated semipinacol rearrangement application to the total synthesis of muscone
Organic Letters, 2017Co-Authors: Yi Liu, Ying-yeung YeungAbstract:A series of macrocycles were successfully prepared using electrophilic halogen-mediated semipinacol rearrangement under mild conditions. Although the expansion from small ring to medium ring is an energetically unfavorable process, the electrophilic halogenation was found to be powerful enough to override such an energy barrier. The rearranged products could further undergo Dowd–Beckwith rearrangement to give the corresponding one-carbon ring-expanded ketones. This approach has been applied to the total synthesis of the natural product (±)-muscone, which is widely used in modern Perfumery and medicines, in a two-step sequence.
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Synthesis of Macrocyclic Ketones through Catalyst-Free Electrophilic Halogen-Mediated Semipinacol Rearrangement: Application to the Total Synthesis of (±)-Muscone
2017Co-Authors: Yi Liu, Ying-yeung YeungAbstract:A series of macrocycles were successfully prepared using electrophilic halogen-mediated semipinacol rearrangement under mild conditions. Although the expansion from small ring to medium ring is an energetically unfavorable process, the electrophilic halogenation was found to be powerful enough to override such an energy barrier. The rearranged products could further undergo Dowd–Beckwith rearrangement to give the corresponding one-carbon ring-expanded ketones. This approach has been applied to the total synthesis of the natural product (±)-muscone, which is widely used in modern Perfumery and medicines, in a two-step sequence
Ecaterina Tudor - One of the best experts on this subject based on the ideXlab platform.
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temperature dependence of the retention index for Perfumery compounds on a se 30 glass capillary column ii the hyperbolic equation
Journal of Chromatography A, 1999Co-Authors: Ecaterina Tudor, Dorel MoldovanAbstract:Abstract The Antoine-type hyperbolic equation of the retention index temperature dependence was reported for 82 Perfumery solutes on a SE-30 capillary column. The precision was compared with that of the linear equation. The thermodynamic significance of the parameters was reconsidered and discussed. The methylene increments of the thermodynamic functions of solution were used for the prediction of the vertical asymptote position on the temperature axis at about 400–500°C, in agreement with the experimental data. Therefore, only two particular cases of this type of hyperbola should exist in a pure gas–liquid partition process.
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temperature dependence of the retention index for Perfumery compounds on a se 30 glass capillary column i linear equations
Journal of Chromatography A, 1997Co-Authors: Ecaterina TudorAbstract:The temperature dependence of the retention index was studied for about 340 Perfumery compounds on an SE-30 glass capillary column within usual temperature ranges. Two linear equations, with column temperature and its reciprocal as variables, were comparatively reported. The first shows a slightly better precision and is more convenient for different applications, particularly for correlation with structure.