Differentiation of argentine propolis from different species of bees and geographical origins by UV spectroscopy and chemometric analysis

Bees collect vegetal resins that they mix with their wax and mechanical impurities to elaborate propolis, whose chemical composition is complex and variable depending on botanical/geographical origin, type of bee, time of year when it was produced and function in the hive. The presence of compounds that absorb UV radiation, such as those of the phenolic type: acids, esters, flavonoids and chalcones, largely responsible for their antioxidant, antimicrobial and anti-inflammatory biological activity has been reported. The objective of the present work was to establish if it was possible to differentiate Argentine propolis using UV spectroscopy and chemometric analysis, in the following cases: a) Propolis elaborated by three different species of bees (Apis mellifera, Tetragonisca fiebrigi, Scaptotrigona jujuyensis) of the same geographical origin, and b) Propolis produced by a species of bee (Apis mellifera) of four different geographical origins. UV spectrograms were performed in the 190 to 420 nm range for all the samples followed by analysis of principal components, hierarchical clusters and linear discriminants. The results showed that Argentine propolis could be differentiated in the two cases studied, and that A.mellifera, T, fiebrigi and S. jujuyensis would not use the same plant species to produce them.Fil: Maldonado, Luis María. Instituto Nacional de Tecnología Agropecuaria. Centro Regional Tucuman-Santiago del Estero. Estación Experimental Agropecuaria Famaillá; ArgentinaFil: Marcinkevicius, Karenina. Instituto Nacional de Tecnología Agropecuaria. Centro Regional Tucuman-Santiago del Estero. Estación Experimental Agropecuaria Famaillá; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; ArgentinaFil: Borelli, Romina. Instituto Nacional de Tecnología Agropecuaria. Centro Regional Tucuman-Santiago del Estero. Estación Experimental Agropecuaria Famaillá; ArgentinaFil: Gennari, Gerardo. Instituto Nacional de Tecnología Agropecuaria. Centro Regional Tucuman-Santiago del Estero. Estación Experimental Agropecuaria Famaillá; ArgentinaFil: Salomón, Virginia. Instituto Nacional de Tecnología Agropecuaria. Centro Regional Tucuman-Santiago del Estero. Estación Experimental Agropecuaria Famaillá; ArgentinaFil: Isla, Maria Ines. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; ArgentinaFil: Vera, Nancy. Universidad Nacional de Tucuman. Facultad de Bioquímica, Química y Farmacia. Instituto de Farmacia. Cátedra de Farmacoquímica; ArgentinaFil: Borelli, Valeria Soledad. Instituto Nacional de Tecnología Agropecuaria. Centro Regional Chaco-Formosa. Estación Experimental Agropecuaria Las Breñas; Argentin

Chemometric modelling to relate antioxidants, neutral lipid fatty acids and flavour components in chicken breast

Relationships among quality factors in retailed free-range, corn-fed, organic, and conventional chicken breasts (9) were modeled using chemometric approaches. Use of principal component analysis (PCA) to neutral lipid composition data explained the majority (93%) of variability (variance) in fatty acid contents in 2 significant multivariate factors. PCA explained 88 and 75% variance in 3 factors for, respectively, flame ionization detection (FID) and nitrogen phosphorus (NPD) components in chromatographic flavor data from cooked chicken after simultaneous distillation extraction. Relationships to tissue antioxidant contents were modeled. Partial least square regression (PLS2), interrelating total data matrices, provided no useful models. By using single antioxidants as Y variables in PLS (1), good models (r2 values > 0.9) were obtained for alpha-tocopherol, glutathione, catalase, glutathione peroxidase, and reductase and FID flavor components and among the variables total mono and polyunsaturated fatty acids and subsets of FID, and saturated fatty acid and NPD components. Alpha-tocopherol had a modest (r2 = 0.63) relationship with neutral lipid n-3 fatty acid content. Such factors thus relate to flavor development and quality in chicken breast meat

Intra-regional classification of grape seeds produced in Mendoza province (Argentina) by multi-elemental analysis and chemometrics tools

The feasibility of the application of chemometric techniques associated with multi-element analysis for the classification of grape seeds according to their provenance vineyard soil was investigated. Grape seed samples from different localities of Mendoza province (Argentina) were evaluated. Inductively coupled plasma mass spectrometry (ICP-MS) was used for the determination of twenty-nine elements (Ag, As, Ce, Co, Cs, Cu, Eu, Fe, Ga, Gd, La, Lu, Mn, Mo, Nb, Nd, Ni, Pr, Rb, Sm, Te, Ti, Tl, Tm, U, V, Y, Zn and Zr). Once the analytical data were collected, supervised pattern recognition techniques such as linear discriminant analysis (LDA), partial least square discriminant analysis (PLS-DA), k-nearest neighbors (k-NN), support vector machine (SVM) and Random Forest (RF) were applied to construct classification/discrimination rules. The results indicated that nonlinear methods, RF and SVM, perform best with up to 98% and 93% accuracy rate, respectively, and therefore are excellent tools for classification of grapes.Fil: Canizo, Brenda Vanina. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales. Laboratorio de Química Analítica para Investigación y Desarrollo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaFil: Escudero, Leticia Belén. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales. Laboratorio de Química Analítica para Investigación y Desarrollo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaFil: Pérez, María Belén. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales. Laboratorio de Química Analítica para Investigación y Desarrollo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaFil: Pellerano, Roberto Gerardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Química Básica y Aplicada del Nordeste Argentino. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Química Básica y Aplicada del Nordeste Argentino; ArgentinaFil: Wuilloud, Rodolfo German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Química Básica y Aplicada del Nordeste Argentino. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Química Básica y Aplicada del Nordeste Argentino; Argentin

Suitable classification of mortars from ancient roman and renaissance frescoes using thermal analysis and chemometrics

Background Literature on mortars has mainly focused on the identification and characterization of their components in order to assign them to a specific historical period, after accurate classification. For this purpose, different analytical techniques have been proposed. Aim of the present study was to verify whether the combination of thermal analysis and chemometric methods could be used to obtain a fast but correct classification of ancient mortar samples of different ages (Roman era and Renaissance). Results Ancient Roman frescoes from Museo Nazionale Romano (Terme di Diocleziano, Rome, Italy) and Renaissance frescoes from Sistine Chapel and Old Vatican Rooms (Vatican City) were analyzed by thermogravimetry (TG) and differential thermal analysis (DTA). Principal Component analysis (PCA) on the main thermal data evidenced the presence of two clusters, ascribable to the two different ages. Inspection of the loadings allowed to interpret the observed differences in terms of the experimental variables. Conclusions PCA allowed differentiating the two kinds of mortars (Roman and Renaissance frescoes), and evidenced how the ancient Roman samples are richer in binder (calcium carbonate) and contain less filler (aggregate) than the Renaissance ones. It was also demonstrated how the coupling of thermoanalytical techniques and chemometric processing proves to be particularly advantageous when a rapid and correct differentiation and classification of cultural heritage samples of various kinds or ages has to be carried out

New frontiers in thermal analysis: A TG/Chemometrics approach for postmortem interval estimation in vitreous humor

The coupling of thermogravimetric analysis (TG) associated with chemometrics is proposed as an innovative approach in thanatochemistry in order to develop a new analytical tool using thermal analysis for the characterization of vitreous humor. Vitreous samples were selected from the medicolegal deaths which occurred in casualty and where the death interval is known. Only hospital deaths with no metabolic disorders were taken, and the precise time of death was certified by the treating physician. Samples were analyzed by TG7 thermobalance, and principal component analysis was used to evaluate the results. The TG/Chemometrics outcomes show a clearly distinct behavior according to the postmortem interval, concluding that TG and Chemometrics are capable of predicting the time since death using only a few microliters of vitreous, without any pretreatment and with an hour of analysis tim

SIMULTANEOUS DETERMINATION OF DOXYLAMINE SUCCINATE, PYRIDOXINE HYDROCHLORIDE AND FOLIC ACID BY CHEMOMETRIC SPECTROPHOTOMETRY

Simultaneous estimation of three component tablets containing Doxylamine succinate (DOX), Pyridoxine hydrochloride (PYR) and Folic acid (FA) was carried out by UV spectrophotometric assisted chemometric methods. Four chemometric methods i.e. classical least square (CLS), inverse least square (ILS), principal component regression (PCR) and partial least squares (PLS) were applied to simultaneous assay of DOX, PYR and FA in tablets without any chemical separation and any graphical treatment of the overlapping spectra of three drugs. The chemometric calculations were performed by using the Chemometrics Toolbox 3.02 software (Kramer, 1995) along with MATLAB 6. The results of four chemometric methods were statistically compared with each other. These chemometric calibrations were successfully applied to the marketed tablets without any separation procedure. Mean recoveries (percent) and relative standard deviation of ILS, CLS, PCR, PLS methods were found to be 98.77/1.76, 100.59/1.53, 97.91/1.50, 97.53/1.73 for DOX; 99.79/1.22, 100.22/0.58, 100.31/1.68 and 99.33/1.10 for PYR; 99.79/1.37, 100.57/1.56 and 98.38/0.96 for FA respectively. All of the four chemometric methods in this study can be satisfactorily used for the quantitative analysis of multi-component dosage form

Fabrication of a Self-Assembled and Flexible SERS Nanosensor for Explosive Detection at Parts-Per-Quadrillion Levels from Fingerprints

Apart from high sensitivity and selectivity of surface-enhanced Raman scattering (SERS)-based trace explosive detection, efficient sampling of explosive residue from real world surfaces is very important for homeland security applications. Herein, we demonstrate an entirely new SERS nanosensor fabrication approach. The SERS nanosensor was prepared by self-assembling chemically synthesized gold triangular nanoprisms (Au TNPs), which we show display strong electromagnetic field enhancements at the sharp tips and edges, onto a pressure-sensitive flexible adhesive film. Our SERS nanosensor provides excellent SERS activity (enhancement factor = ∼6.0 × 106) and limit of detection (as low as 56 parts-per-quadrillions) with high selectivity by chemometric analyses among three commonly military high explosives (TNT, RDX, and PETN). Furthermore, the SERS nanosensors present excellent reproducibility (<4.0% relative standard deviation at 1.0 μM concentration) and unprecedentedly high stability with a “shelf life” of at least 5 months. Finally, TNT and PETN were analyzed and quantified by transferring solid explosive residues from fingerprints left on solid surfaces to the SERS nanosensor. Taken together, the demonstrated sensitivity, selectivity, and reliability of the measurements as well as with the excellent shelf life of our SERS nanosensors obviate the need for complicated sample processing steps required for other analytical techniques, and thus these nanosensors have tremendous potential not only in the field of measurement science but also for homeland security applications to combat acts of terror and military threats

Rapid Determination of Saponins in the Honey-Fried Processing of Rhizoma Cimicifugae by Near Infrared Diffuse Reflectance Spectroscopy.

ObjectiveA model of Near Infrared Diffuse Reflectance Spectroscopy (NIR-DRS) was established for the first time to determine the content of Shengmaxinside I in the honey-fried processing of Rhizoma Cimicifugae.MethodsShengmaxinside I content was determined by high-performance liquid chromatography (HPLC), and the data of the honey-fried processing of Rhizoma Cimicifugae samples from different batches of different origins by NIR-DRS were collected by TQ Analyst 8.0. Partial Least Squares (PLS) analysis was used to establish a near-infrared quantitative model.ResultsThe determination coefficient R² was 0.9878. The Cross-Validation Root Mean Square Error (RMSECV) was 0.0193%, validating the model with a validation set. The Root Mean Square Error of Prediction (RMSEP) was 0.1064%. The ratio of the standard deviation for the validation samples to the standard error of prediction (RPD) was 5.5130.ConclusionThis method is convenient and efficient, and the experimentally established model has good prediction ability, and can be used for the rapid determination of Shengmaxinside I content in the honey-fried processing of Rhizoma Cimicifugae

Hyperspectral imaging applied to end-of-life (EOL) concrete recycling

The recovery of materials from DW is an important target of the recycling industry and it is important to know which materials are presents in order to set up efficient sorting and/or quality control actions. The implementation of an automatic recognition system of recovered products from End-Of-Life (EOL) concrete materials can be an useful way to maximize DW conversion into secondary raw materials. In this paper a new approach, based on HyperSpectral Imaging (HSI) sensors, is investigated in order to develop suitable and low cost strategies finalized to the preliminary detection and characterization of materials constituting Demolition Waste (DW) flow stream. The described HSI quality control approach is based on the utilization of a device working in the near infrared range (1000-1700 nm). Acquired hyperspectral images were analyzed. Different chemometric methods were applied. Results showed that it is possible to recognize DW materials and to distinguish the recycled aggregates from the investigated contaminants (brick, gypsum, plastic, wood and foam)