Differential NMR and chromatography for the detection and analysis of adulteration of vetiver essential oils

Schripsema, Jan; Silva, Sonia Maria da; Dagnino, Denise

doi:10.1016/j.talanta.2021.122928

Cited by 12 publications

(5 citation statements)

References 30 publications

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“…It is worth mentioning that the simple determination of physico-chemical characteristics of the extracts may not be enough for evaluating some adulterations, and the use of more powerful analytical techniques may be required, e.g., gas and liquid chromatography, mass spectrometry, magnetic nuclear resonance, raman spectroscopy or infrared spectroscopy [83][84][85][86][87]. Figure 2 summarized the different steps for characterization of the purity of essential oils together with the advantages and disadvantages associated with the different analytical methodologies.…”

Section: Quality Of Eosmentioning

confidence: 99%

Essential Oils and Their Individual Components in Cosmetic Products

Guzmán

Lucı́a

2021

Cosmetics

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The current consumer demands together with the international regulations have pushed the cosmetic industry to seek new active ingredients from natural renewable sources for manufacturing more eco-sustainability and safe products, with botanical extract being an almost unlimited source of these new actives. Essential oils (EOs) emerge as very common natural ingredients in cosmetics and toiletries as a result of both their odorous character for the design and manufacturing of fragrances and perfumes, and the many beneficial properties of their individual components (EOCs), e.g., anti-inflammatory, antimicrobial and antioxidant properties, and, nowadays, the cosmetic industry includes EOs or different mixtures of their individual components (EOCs), either as active ingredients or as preservatives, in various product ranges (e.g., moisturizers, lotions and cleanser in skin care cosmetics; conditioners, masks or antidandruff products in hair care products; lipsticks, or fragrances in perfumery). However, the unique chemical profile of each individual essential oil is associated with different benefits, and hence it is difficult to generalize their potential applications in cosmetics and toiletries, which often require the effort of formulators in seeking suitable mixtures of EOs or EOCs for obtaining specific benefits in the final products. This work presents an updated review of the available literature related to the most recent advances in the application of EOs and EOCs in the manufacturing of cosmetic products. Furthermore, some specific aspects related to the safety of EOs and EOCs in cosmetics will be discussed. It is expected that the information contained in this comprehensive review can be exploited by formulators in the design and optimization of cosmetic formulations containing botanical extracts.

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Section: Quality Of Eosmentioning

confidence: 99%

Essential Oils and Their Individual Components in Cosmetic Products

Guzmán

Lucı́a

2021

Cosmetics

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“…To explore the structure-activity relationship and pharmacological activity of volatile components, chemistry of the volatile components were investigated. The commonly used analytical instruments include gas chromatography (GC) (Dubrow et al, 2022), ultraviolet spectroscopy (UV) (Lee et al, 2021), infrared spectroscopy (IR) (Zhuang et al, 2021), quadrupole time-of-flight mass spectrometry (Q-TOF) (Hawwal et al, 2021), nuclear magnetic resonance (NMR) (Schripsema et al, 2022), X-ray fluorescence spectroscopy (X-ray) (Soltanzadeh et al, 2021), and high-resolution electrospray ionization mass spectrometry (HRESIMS) (Tong et al, 2010b). Many studies have reported volatile oil components.…”

Section: Acorus Calamus Var Angustatus Bessermentioning

confidence: 99%

Advances in extraction methods, chemical constituents, pharmacological activities, molecular targets and toxicology of volatile oil from Acorus calamus var. angustatus Besser

Bai

Wang

et al. 2022

Front. Pharmacol.

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Acorus calamus var. angustatus Besser (ATT) is a traditional herb with a long medicinal history. The volatile oil of ATT (VOA) does possess many pharmacological activities. It can restore the vitality of the brain, nervous system and myocardial cells. It is used to treat various central system, cardiovascular and cerebrovascular diseases. It also showed antibacterial and antioxidant activity. Many studies have explored the benefits of VOA scientifically. This paper reviews the extraction methods, chemical components, pharmacological activities and toxicology of VOA. The molecular mechanism of VOA was elucidated. This paper will serve as a comprehensive resource for further carrying the VOA on improving its medicinal value and clinical use.

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“…NMR is regarded as a relatively insensitive method, which possesses more universal detection ability and is capable of performing multi-target analysis on a single sample [ 8 – 10 ]. Owing to the increasing availability of NMR, indeed, there are some reports involving the integration of LC-UV, -MS, and NMR for the standardization of complex matrices [ 11 , 12 , 28 ]. However, from a perspective of the gap between the high demand for healthcare products and the quality consistency of different batches of BDs, the combination of commonly used methods (e.g., LC-based pharmaceutical quality control) and emerging techniques [e.g., quantitative 1 H NMR (q 1 HNMR)] for providing scientific evidence to the development of BDs is still considered underexplored [ 27 ].…”

Section: Introductionmentioning

confidence: 99%

Machine learning integration of multi-modal analytical data for distinguishing abnormal botanical drugs and its application in Guhong injection

Han,

Zhao,

Tang

et al. 2024

Chin Med

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Background Determination of batch-to-batch consistency of botanical drugs (BDs) has long been the bottleneck in quality evaluation primarily due to the chemical diversity inherent in BDs. This diversity presents an obstacle to achieving comprehensive standardization for BDs. Basically, a single detection mode likely leads to substandard analysis results as different classes of structures always possess distinct physicochemical properties. Whereas representing a workaround for multi-target standardization using multi-modal data, data processing for information from diverse sources is of great importance for the accuracy of classification. Methods In this research, multi-modal data of 78 batches of Guhong injections (GHIs) consisting of 52 normal and 26 abnormal samples were acquired by employing HPLC-UV, -ELSD, and quantitative 1H NMR (q1HNMR), of which data obtained was then individually used for Pearson correlation coefficient (PCC) calculation and partial least square-discriminant analysis (PLS-DA). Then, a mid-level data fusion method with data containing qualitative and quantitative information to establish a support vector machine (SVM) model for evaluating the batch-to-batch consistency of GHIs. Results The resulting outcomes showed that datasets from one detection mode (e.g., data from UV detectors only) are inadequate for accurately assessing the product's quality. The mid-level data fusion strategy for the quality evaluation enabled the classification of normal and abnormal batches of GHIs at 100% accuracy. Conclusions A quality assessment strategy was successfully developed by leveraging a mid-level data fusion method for the batch-to-batch consistency evaluation of GHIs. This study highlights the promising utility of data from different detection modes for the quality evaluation of BDs. It also reminds manufacturers and researchers about the advantages of involving data fusion to handle multi-modal data. Especially when done jointly, this strategy can significantly increase the accuracy of product classification and serve as a capable tool for studies of other BDs.

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Differential NMR and chromatography for the detection and analysis of adulteration of vetiver essential oils

Cited by 12 publications

References 30 publications

Essential Oils and Their Individual Components in Cosmetic Products

Essential Oils and Their Individual Components in Cosmetic Products

Advances in extraction methods, chemical constituents, pharmacological activities, molecular targets and toxicology of volatile oil from Acorus calamus var. angustatus Besser

Machine learning integration of multi-modal analytical data for distinguishing abnormal botanical drugs and its application in Guhong injection

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