A review combining emerging techniques with classical ones for the determination of biscuit quality: advantages and drawbacks.

The production of biscuit and biscuit-like products has faced many challenges due to changes in consumer behavior and eating habits. Today's consumer is looking for safe products not only with fresh-like and pleasant taste, but also with long shelf life and health benefits. Therefore, the potentiality of the use of healthier fat and the incorporation of natural antioxidant in the formulation of biscuit has interested, recently, the attention of researchers. The determination of the biscuit quality could be performed by several techniques (e.g., physical, chemical, sensory, calorimetry and chromatography). These classical analyses are unfortunately destructive, expensive, polluting and above all very heavy, to implement when many samples must be prepared to be analyzed. Therefore, there is a need to find fast analytical techniques for the determination of the quality of cereal products like biscuits. Emerging techniques such as near infrared (NIR), mid infrared (MIR) and front face fluorescence spectroscopy (FFFS), coupled with chemometric tools have many potential advantages and are introduced, recently, as promising techniques for the assessment of the biscuit quality.

Evaluation and monitoring of the quality of sausages by different analytical techniques over the last five years.

Sausages are among the most vulnerable and perishable products, although those products are an important source of essential nutrients for human organisms. The evaluation of the quality of sausages becomes more and more required by consumers, producers, and authorities to thwarter falsification. Numerous analytical techniques including chemical, sensory, chromatography, and so on, are employed for the determination of the quality and authenticity of sausages. These methods are expensive and time consuming, and are often sensitive to significant sources of variation. Therefore, rapid analytical techniques such as fluorescence spectroscopy, near infrared (NIR), mid infrared (MIR), nuclear magnetic resonance (NMR), among others were considered helpful tools in this domain. This review will identify current gaps related to different analytical techniques in assessing and monitoring the quality of sausages and discuss the drawbacks of existing analytical methods regarding the quality and authenticity of sausages from 2015 up to now.

UPLC-MS-Based Metabolomics Profiling and Chemometric Analysis for Hypericum sinaicum Boiss and the Endophytic Aspergillus foetidus in Comparison to Hypericum perforatum L.

One of the endangered plant species in Saint Catherine protectorate is Hypericum sinaicum Boiss which is endemic to Egypt, Jordan, and Saudi Arabia. The fungus-host relationship can assist in the investigation of bioactive compounds produced by H. sinaicum paving the way for economic and medicinal implications. Therefore, a comprehensive metabolic approach via MS and chemical analysis was used to track and compare metabolites from H. sinaicum and Aspergillus foetidus var. pallidus, the endophytic fungus, with Hypericum perforatum. Metabolomics analysis revealed the presence of 25 metabolites distributed among samples and the discovery of new chemotaxonomic compounds, i. e., phloroglucinols and xanthones, allowing the discrimination between species. A. foetidus extract is considered a reliable source of furohyperforin and naphthodianthrone derivatives. In conclusion, using A. foetidus as an in vitro technique for producing potential phytoconstituents was cost effective, having easier optimization conditions and faster growth with fewer contamination rates than other in vitro methods.

Analysis of Bitter Almonds and Processed Products Based on HPLC-Fingerprints and Chemometry.

In the processing field, there is a saying that "seed drugs be stir-fried". Bitter almond (BA) is a kind of seed Chinese medicine. BA need be used after being fried. To distinguish raw bitter almonds (RBA) from processed products and prove the rationality of "seed drugs be stir-fried", we analyzed the RBA and five processed products (scalded bitter almonds, fried bitter almonds, honey fried bitter almonds, bran fried bitter almonds, bitter almonds cream) using RP-HPLC fingerprints and chemometric methods. The similarity between RBA and processed products was 0.733∼0.995. Hierarchically clustered heatmap was used to evaluate the changes in components. Principal component analysis (PCA) was used for classification, and all samples are distinguished according to RBA and five processing methods. Six chemical markers were obtained by partial least squares discriminant analysis (PLS-DA). The content and degradation rate of amygdalin and ß-glucosidase activity were determined. Compared with RBA, the content and degradation rate of amygdalin, and ß-glucosidase activity were increased in bitter almonds cream. The content and degradation rate were decreased, and ß-glucosidase was inactivated in other processed products. The above results showed that stir-frying had the best effect. The results showed that processing can ensure the stability of RBA quality, and the saying "seed drugs be stir-fried" is reasonable.

Green Chemometric Determination of Cefotaxime Sodium in the Presence of Its Degradation Impurities Using Different Multivariate Data Processing Tools; GAPI and AGREE Greenness Evaluation.

Four eco-friendly, cost-effective, and fast stability-indicating UV-VIS spectrophotometric methods were validated for cefotaxime sodium (CFX) determination either in the presence of its acidic or alkaline degradation products. The applied methods used multivariate chemometry, namely, classical least square (CLS), principal component regression (PCR), partial least square (PLS), and genetic algorithm-partial least square (GA-PLS), to resolve the analytes' spectral overlap. The spectral zone for the studied mixtures was within the range from 220 to 320 nm at a 1 nm interval. The selected region showed severe overlap in the UV spectra of cefotaxime sodium and its acidic or alkaline degradation products. Seventeen mixtures were used for the models' construction, and eight were used as an external validation set. For the PLS and GA-PLS models, a number of latent factors were determined as a pre-step before the models' construction and found to be three for the (CFX/acidic degradants) mixture and two for the (CFX/alkaline degradants) mixture. For GA-PLS, spectral points were minimized to around 45% of the PLS models. The root mean square errors of prediction were found to be (0.19, 0.29, 0.47, and 0.20) for the (CFX/acidic degradants) mixture and (0.21, 0.21, 0.21, and 0.22) for the (CFX/alkaline degradants) mixture for CLS, PCR, PLS, and GA-PLS, respectively, indicating the excellent accuracy and precision of the developed models. The linear concentration range was studied within 12-20 µg mL-1 for CFX in both mixtures. The validity of the developed models was also judged using other different calculated tools such as root mean square error of cross validation, percentage recoveries, standard deviations, and correlation coefficients, which indicated excellent results. The developed methods were also applied to the determination of cefotaxime sodium in marketed vials, with satisfactory results. The results were statistically compared to the reported method, revealing no significant differences. Furthermore, the greenness profiles of the proposed methods were assessed using the GAPI and AGREE metrics.

Application of new emerging techniques in combination with classical methods for the determination of the quality and authenticity of olive oil: a review.

The determination of the quality and authenticity of olive oil becomes more and more required by producers, consumers, and authorities to thwarter falsification. Several analytical techniques including chemical, sensory, chromatography, and so on, are used for the determination of the quality and authenticity of olive oil. Although these methods are considered as the reference ones, they are cumbersome, time-consuming and destructive. Therefore, rapid analytical techniques such as fluorescence, ultraviolet-visible, near infrared, and mid infrared spectroscopies, electronic sensing, among others, are more and more used for the determination of the quality and authenticity of olive oils. This review will identify current gaps related to different analytical techniques in olive oil authentication and discuss the drawbacks of existing analytical methods concerning olive oil authenticity from 2010 up to now.

Chemometrics assisted untargeted metabolomic analysis to explore metabolic alterations in chronic urticaria via LC/Q-TOF/MS/MS.

Chronic urticaria (CU) is a common disease characterized by the development of recurrent itchy blisters and/or angioedema lasting longer than 6 weeks. The evidence-based diagnosis of CU is described in the most recent urticaria guideline. Metabolomics has the potential to offer diagnostic biomarkers for the detection and prognosis of diseases and predict the efficacy and safety of pharmaceutical interventions. Determining the variation in metabolites found in the plasma of CU patients (n = 20) and 20 controls has therefore been the goal of this investigation. Samples were analyzed using liquid chromatography quadrupole time-of-flight mass spectrometry after applying acetonitrile precipitation. For the purpose of identifying and characterizing metabolites, the METLIN database was utilized. According to results, 21 metabolites were found to be significantly (VIP score > 0.7, p < .05 and fold analysis >1.5) altered. Differentiations between each group were successful via both OPLS-DA and ROC analysis. While plasma allantoate, homogentisate, indole acetate, proline, phenylalanine levels decreased in CU patients compared to healthy subjects, tryptophan, spermidine, phenyl pyruvate, oleic acid, lysine, valine, ornithine, histidine, glutamate, leucine, kynurenine, hypoxanthine, tyrosine, glucose, creatine and cortisol levels were significantly increased. Diagnosis of CU could be achieved by evaluating the metabolic profile of patients.

Selected fungi of the genus Lactarius - screening of antioxidant capacity, antimicrobial activity, and genotoxicity.

It is well-known that mushrooms of the genus Lactarius constitute a natural food resource providing health benefits as a nutritient. This genus contains 4 mushrooms identified as L. deliciosus, L. volemus, L. sanguifluus, L. semisanguifluus and L. piperatus which were collected in Serbia. The aim of this study aimed was to identify and characterize the content of phenolic compounds and examine the antioxidant potential of 5 wild edible mushrooms. L. sanguifluus contained the highest content of total phenol compounds (75.25 mg gallic acid equivalents (GAE) per g dry extract weight (GAE/g DE) and exhibited the greatest antioxidant activity through the ability to remove radicals as evidenced by ABTS assay (8.99 mg of trolox equivalents (TE) per g dry extract weight (mg TE/g DE); total reducing power (TRP) assay mg ascorbic acid equivalents per mg of dry extract weight (0.42 mg AAE/g DE) and CUPRAC (14.23 mg TE /g DE). L. deliciosus methanolic extract produced greatest scavenging of the DPPH radical (46%). The methanol mushroom extracts were screened for in vitro antimicrobial activity against a panel of pathogenic bacterial strains using the microdilution method. Of all the extracts tested, L. sanguifluus extract showed the best antibacterial properties. The cytokinesis block micronucleus assay results for the examined mushrooms demonstrated that extracts at a concentration of 3 µg/ml decreased the number of micronuclei (MN) in the range of 19-49% which is significant bearing in mind that radioprotectant amifostine reduced the frequency of MN by only 16.3%. Data thus demonstrate that the 5 wild edible mushrooms of genus Lactarius contain constituents that are beneficial not only as nutrients but also have the potential as antioxidants, antibacterial and antigenotoxic properties.

Essential Oil, Aroma, and Fatty Acid Profiles of Five Endemic Salvia Taxa from Turkey with Chemometric Analysis.

The essential oil, aroma, and fatty acid compositions of Salvia cerino-pruinosa var. cerino-pruinosa, S. cerino-pruinosa var. elazigensis, S. pseudeuphratica, S. rosifolia, and S. kurdica collected in 2015, 2016, and 2017 were analysed by GC-FID, GC/MS/Head Space and GC/MS. The results were evaluated chemometrically for principal component analyses and hierarchical clustering analyses using Minitab program. The main components of their essential oils have been determined as germacrene-D (41.79 % highest for these species), camphor (55.80 %), linalool (33.38 %), caryophyllene oxide (32.99 %), 1,8-cineole (26.30 %) and geraniol acetate (31.63 %), while for aroma 1,8-cineole (45.95 % highest for these species), camphor (58.54 %), D-limonene (40.83 %), linalool (27.67 %) and cis-linalool oxide (25.87 %). Oleic (72.65 % highest for these species), erucic (44.61 %), 2-palmitoleic (42.17 %) and nervonic (32.61 %) acids were determined as major components of their fatty acids. According to the PCA and HCA, the essential oil components of these Salvia taxa unaffected by the years, and accordingly, the Salvia taxa grouped among themselves.

Untargeted metabolomics study and identification of potential biomarkers in the six sections of the genus Stachys L. (Lamiaceae) using HPLC-MQ-API-MS/MS.

INTRODUCTION: The genus Stachys L., belonging to the family Lamiaceae, is one of the largest genera with remarkable medicinal properties. Plants of this genus produce a broad range of secondary metabolites. OBJECTIVES: Due to the incomplete comprehensive assessment of chemical profiles in Stachys species, we conducted an untargeted metabolomics study and identified potential biomarkers in the six sections of Stachys with chemotaxonomic importance. MATERIAL AND METHODS: Dried leaves of 17 taxa were utilized for analysis of all the constituents using HPLC-MQ-API-MS. The obtained data were processed and analyzed using multivariate statistical methods, including heatmaps, PLS-DA score plots, functional analysis of metabolic pathways, metabolite set enrichment analysis, and biomarker and network analysis. RESULTS: Among the 129 metabolites, 111 flavonoids and 18 non-flavonoids were recognized. The most represented flavonoids, including 41 flavones and 20 flavonols, displayed remarkable abundance. In non-flavonoid compounds, a total of six coumarins and six phenolic acids were present at high levels. In terms of approved markers in six sections, 76 chemical compounds, mainly flavonoids, coumarins, quinic acids, and cinnamic acids, were identified as potential biomarkers or chemotaxonomic indicators. Accordingly, the taxonomic complexities of some Stachys species in sections Fragilicaulis, Aucheriana, and Setifolia were properly resolved. CONCLUSION: An HPLC-MS/MS-based metabolomics approach integrated with multivariate statistical methods was employed to identify (1) valuable markers and analyze metabolic diversity and (2) predict the pharmaceutical properties of Stachys species. The obtained chemical profiles provide a new perspective for investigation of the Stachys genus.

Chemometric characterization of raw olives from important Turkish table olive cultivars Cvs. using HPLC-DAD method based on their biophenolic profiles.

In this study, raw fruits of important olive cultivars mostly used in the Turkish table (and oil) olive sector, Ayvalik, Gemlik, Domat, Memecik and Uslu, were investigated based on their biophenolic profiles by a HPLC-DAD method. Biophenolic compounds have great importance in olive processing (table and oil) technology and human nutrition physiology and are commonly found in natural products obtained from fruits and vegetables, including table olives and olive oil. Raw olive fruits samples, grown in Bornova and Kemapasa which are the experimantal areas of Olive Research Institute (Izmir-Turkey), were harvested in different maturity stages during two corp years (2007-2008). The total phenolic content (TPC) and the simple biophenolic profile analysis of raw olive samples were carried out using UV/VIS spectroscopic and HPLC-DAD methods, respectively. It was showed that domestic olive cultivars, mostly used in table and oil technologies, exposed great differences in biophenolic profiles due to the cultivar and harvest time according to the results of this study. TPC data for all raw samples varied from1 89.8 mg GAE /100 g (Domat) to 421 mg GAE /100 g (Uslu). Hydroxytyrosol (HT) was the major phenolic compound for all raw olive samples and it varied from 58.70 mg/100 g (Uslu) to 27.53 mg/100 g (Memecik). The highest amount of tyrosol (TY) compound was found Uslu (21.23 mg/100 g) while Ayvalik had the lowest amount of this compound (6.13 mg/100 g). In this study, the raw fruits of the domestic five table cultivars were characterized and classified chemometric methods (Principal Component Analysis, PCA and Hierarchical Cluster Analysis, HCA) based on their simple phenolic compounds. Luteloin (LT) was effective on the characterization of Uslu cultivar while Gemlik was classified with the apigenin (APG). The Hydroxytyrosol (HT) was discriminative in classification of Memecik cultivar whereas the tyrosol (TY) played role in characterization of Ayvalik cultivar.

Effect of quercetin on the amiloride-bovine serum albumin interaction using spectroscopic methods, molecular docking and chemometric approaches.

The effect of quercetin flavonoid (QUE), on the binding interaction of antihypertensive drug, amiloride (AMI) with bovine serum albumin (BSA) was investigated in this study. Spectroscopic methods such as steady-state, synchronous, three-dimensional fluorescence, and circular dichroism spectroscopy were employed to study the interaction. Fluorescence data were analyzed using the Stern-Volmer equation and a static quenching process was found to be involved in the formation of AMI-BSA and QUE-BSA complexes and were in good agreement with the thermodynamic study. The thermodynamic parameters illustrated that the process is spontaneous and enthalpy driven. Hydrophobicity is acting as the primary force in the binding interaction. Fluorescence spectral data were resolved using a multivariate curve resolution-alternating least squares method (MCR-ALS). Site marker and molecular docking studies confirmed the binding site of AMI on BSA, i.e. site II. The binding distance between amino acid of BSA and AMI was calculated and found to be 2.18 nm which indicated that energy transfer has occurred from an amino acid of BSA to AMI. The binding affinity of AMI to BSA was found to be reduced in the presence of QUE, which may lead to the poor distribution of AMI at the desired site.

A Detailed Chemical and Biological Investigation of Twelve Allium Species from Eastern Anatolia with Chemometric Studies.

Allium species are widely consumed as food all over the world. The phenolic profile of ethanol extracts of aerial parts and roots of 12 Allium species, collected from five different Eastern Anatolia regions, were studied using LC-MS/MS. In vitro antioxidant, anticholinesterase, cytotoxic and antimicrobial activities were also tested. The multivariate analyses were performed using principal component and hierarchical cluster analyses. Seventeen of 27 standard compounds were detected in all Allium species. The major components were mainly identified as quinic acid, malic acid, vanillin, and p-coumaric acid. The aerial parts possessed better antioxidant activity than roots. Aerial parts of A. atroviolaceum, A. chrysantherum, A. kharputense, and A. shirnakiense exhibited high cytotoxic activity against DLD-1 colon cancer cell lines (IC50 12.5 µg/mL). A. shatakiense and A. vineale demonstrated good antimicrobial activity against S. aureus and E. coli (MIC 75 µg/mL). According to chemometric analysis, differences were detected between aerial parts and the roots. The aerial parts of A. atroviolaceum, A. chrysantherum, A. kharputense, and A. shirnakiense could be potent in the pharmaceutical industry while A. shatakiense and A. vineale in the food industry after further investigations.

Phytochemical discrimination of Pinus species based on GC-MS and ATR-IR analyses and their impact on Helicobacter pylori.

INTRODUCTION: The leaves and cones of Pinus plants as well as their essential oils have been used in traditional medicine for the treatment of several ailments. OBJECTIVES: Phytochemical discrimination of Pinus species and investigation of their anti-Helicobacter pylori activity in vitro and in silico. MATERIALS AND METHODS: Gas chromatography-mass spectrometry (GC-MS) and attenuated total reflectance infrared (ATR-IR) metabolic profiling of the essential oils of Pinus species. Principal component analysis (PCA) and hierarchal cluster analysis (HCA) were applied for discrimination and segregation of Pinus species. RESULTS: GC-MS revealed the presence of 76 constituents, where monoterpenes represented the major class with the dominance of α-pinene (72%) followed by ß-pinene (16%) for P. canariensis. ß-Pinene was the dominant component in P. pinea (24%) followed by terpinolene (11%). α-Pinene (17%) and caryophyllene (12%) were the major components in P. halepensis, while, 3-carene (33%) and α-pinene (17%) represented the major constituents of P. roxburghii oil. By applying PCA and HCA on GC-MS and ATR-IR data analysis, ATR-IR displayed much better discrimination for Pinus species. The pine oils showed promising inhibitory effects on Helicobacter pylori. Furthermore, in silico molecular modelling was carried out where the calculated free binding energies of phytochemicals identified ranged from -33.71 to -19.67 kcal/mol for urease and -41.18 to -16.57 kcal/mol for shikimate kinase. This suggests favourable binding of pine essential oil components to both enzymes, thus explaining their potential inhibitory activity on H. pylori. CONCLUSION: GC-MS and ATR-IR based metabolic analyses could discriminate between Pinus species. Pine essential oils can be used as promising therapeutic drugs to protect against H. pylori infection.

Cancer Influences the Elemental Composition of the Myocardium More Strongly than Conjugated Linoleic Acids-Chemometric Approach to Cardio-Oncological Studies.

The aim of the study was to verify in a cardio-oncological model experiment if conjugated linoleic acids (CLA) fed to rats with mammary tumors affect the content of selected macro- and microelements in their myocardium. The diet of Sprague-Dawley females was supplemented either with CLA isomers or with safflower oil. In hearts of rats suffering from breast cancer, selected elements were analyzed with a quadrupole mass spectrometer with inductively coupled plasma ionization (ICP-MS). In order to better understand the data trends, cluster analysis, principal component analysis and linear discriminant analysis were applied. Mammary tumors influenced macro- and microelements content in the myocardium to a greater extent than applied diet supplementation. Significant influences of diet (p = 0.0192), mammary tumors (p = 0.0200) and interactions of both factors (p = 0.0151) were documented in terms of Fe content. CLA significantly decreased the contents of Cu and Mn (p = 0.0158 and p = 0.0265, respectively). The level of Ni was significantly higher (p = 0.0073), which was more pronounced in groups supplemented with CLA. The obtained results confirmed antioxidant properties of CLA and the relationship with Se deposition. Chemometric techniques distinctly showed that the coexisting pathological process induced differences to the greater extent than diet supplementation in the elemental content in the myocardium, which may impinge on cardiac tissue's susceptibility to injuries.

Varietal and Geographical Origin Characterization of Peaches and Nectarines by Combining Analytical Techniques and Statistical Approach.

Prunus persica L. is one of the most important fruit crops in European production, after grapes, apples, oranges and watermelons. Most varieties are rich in secondary metabolites, showing antioxidant properties for human health. The purpose of this study was to develop a chemical analysis methodology, which involves the use of different analytical-instrumental techniques to deepen the knowledge related to the profile of metabolites present in selected cultivars of peaches and nectarines cultivated in the Mediterranean area (Southern Italy). The comparative study was conducted by choosing yellow-fleshed peaches (RomeStar, ZeeLady) and yellow-fleshed nectarines (Nectaross, Venus) from two geographical areas (Piana di Sibari and Piana di Metaponto), and by determining the chemical parameters for the flesh and skin that allow for identification of any distinctive varietal and/or geographical characteristics. A combined analytical and chemometric approach was used, trough rheological, thermogravimetric (TGA), chromatographic (HPLC-ESI-MS), spectroscopic (UV-Vis, ATR-FTIR, NMR) and spectrometric (ToF-SIMS) analysis. This approach allowed us to identify the characterizing parameters for the analysis of a plant matrix so that the developed methodology could define an easily exportable and extendable model for the characterization of other types of vegetable matrices.

Preliminary study on the potential application of Fourier-transform mid-infrared for the evaluation of overall quality and authenticity of Moroccan virgin olive oil.

BACKGROUND: Olive oil provides a wide range of health-promoting compounds. The quality of olive oil is an even more complex concept as it is affected by several factors, such as variety, season, stage of maturation, extraction processing, and so on. The main objective of this study was to determine the potential of chemical and mid-infrared spectroscopy techniques to determine the quality and authenticity of virgin olive oil (VOO). For this, we studied 41 VOOs originating from five regions of Morocco (Fez/Meknes, Eastern, Northern, Beni-Mellal/Khenifra, and Marrakech/Safi) and produced using different agricultural and technological conditions during two successive crop seasons (2015-2016 and 2016-2017). RESULTS: By applying principal component analysis and factorial discriminant analysis with leave-one-out validation to the mid-infrared spectroscopy, clear discrimination between VOO samples according to their geographic origin and variety was observed, with correct classification rates of 91.87% and 91.87% being observed respectively. The application of partial least-squares regression to mid-infrared and chemical data sets allowed excellent prediction of free acidity, peroxide value, k270 , and chlorophyll level with R2 of 0.99, 0.97, 0.98, and 0.93 respectively, and good prediction of k232 (R2 = 0.84). CONCLUSION: The results demonstrate that mid-infrared spectroscopy coupled with chemometric tools could be used as a rapid screening tool for evaluating the overall quality and authenticity of VOO. © 2020 Society of Chemical Industry.

NIR Spectroscopy for Discriminating and Predicting the Sensory Profile of Dry-Cured Beef "Cecina".

For Protected Geographical Indication (PGI)-labeled products, such as the dry-cured beef meat "cecina de León", a sensory analysis is compulsory. However, this is a complex and time-consuming process. This study explores the viability of using near infrared spectroscopy (NIRS) together with artificial neural networks (ANN) for predicting sensory attributes. Spectra of 50 samples of cecina were recorded and 451 reflectance data were obtained. A feedforward multilayer perceptron ANN with 451 neurons in the input layer, a number of neurons varying between 1 and 30 in the hidden layer, and a single neuron in the output layer were optimized for each sensory parameter. The regression coefficient R squared (RSQ > 0.8 except for odor intensity) and mean squared error of prediction (MSEP) values obtained when comparing predicted and reference values showed that it is possible to predict accurately 23 out of 24 sensory parameters. Although only 3 sensory parameters showed significant differences between PGI and non-PGI samples, the optimized ANN architecture applied to NIR spectra achieved the correct classification of the 100% of the samples while the residual mean squares method (RMS-X) allowed 100% of non-PGI samples to be distinguished.

Optimization of an Extraction Solvent for Angiotensin-Converting Enzyme Inhibitors from Hibiscus sabdariffa L. Based on Its UPLC-MS/MS Metabolic Profiling.

Hibiscus species (Malvaceae) have been long used as an antihypertensive folk remedy. The aim of our study was to specify the optimum solvent for extraction of the angiotensin-converting enzyme inhibiting (ACEI) constituents from Hibiscus sabdariffa L. The 80% methanol extract (H2) showed the highest ACEI activity, which exceeds that of the standard captopril (IC50 0.01255 ± 0.00343 and 0.210 ± 0.005 µg/mL, respectively). Additionally, in a comprehensive metabolomics approach, an ultra-performance liquid chromatography (UPLC) coupled to the high resolution tandem mass spectrometry (HRMS) method was used to trace the metabolites from each extraction method. Interestingly, our comprehensive analysis showed that the 80% methanol extract was predominated with secondary metabolites from all classes including flavonoids, anthocyanins, phenolic and organic acids. Among the detected metabolites, phenolic acids such as ferulic and chlorogenic acids, organic acids such as citrate derivatives and flavonoids such as kaempferol have been positively correlated to the antihypertensive potential. These results indicates that these compounds may significantly contribute synergistically to the ACE inhibitory activity of the 80% methanol extract.

Multivariate analysis applied for correlations between analytical measures and sensory profile of goat milk chocolate.

The aim of this work was to characterize goat milk chocolates with different concentrations of cocoa (35%, 45%, 55% and 65%) and apply correlations between sensory features and analytical measures. The chocolates were evaluated through moisture, ashes, fat content, protein, acidity, pH, water activity, texture, instrumental color and sensory profile. The correlations showed that the brown color can be represented by the chromaticity coordinates a* and b* and the flavor attributes (sweet taste and bitter taste), by the ashes analysis, fat content and pH. Canonic scores superior to 0.5 indicate chocolates with better acceptance.