Total luminescence spectroscopy for differentiating between brandies and wine distillates

In this study, the differentiation was investigated between brandy and wine distillate samples by fluorescence spectroscopy in combination with multivariate analysis. The samples corresponding to eight brandies from three producers and sixteen wine distillates from five producers were acquired in the local supermarkets. Total luminescence spectra of diluted and undiluted samples were recorded. In order to extract reliable information from the data sets, two multivariate analysis methods, Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA), were applied separately on the excitation and emission spectra. The best differentiation was achieved using the emission spectra (400–470 nm) recorded at the excitation wavelength of 340 nm, or the excitation spectra (240–380 nm) recorded at the emission wavelength of 450 nm. The similarity map defined by the PC1 and PC2 of the PCA performed on the excitation spectra accounted for 94.9% of the total variance (PC1 90.3%, PC2 4.6%) and allowed a good discrimination between the beverages. Although the PCA similarity map defined by the PC1 (84.2%) and PC2 (13.0%) performed on the emission spectra did not lead to a clear discrimination between the beverages, a general trend pointing out the brandies and wine distillates was observed on the map. HCA performed on the excitation spectra provided a better differentiation between the two classes, without any classification error, while HCA performed on the emission spectra allowed 95.8% correct classification.

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RIGHT-ANGLE FLUORESCENCE SPECTROSCOPY FOR DIFFERENTIATION OF DISTILLED ALCOHOLIC BEVERAGES

Nova Biotechnologica et Chimica ◽

10.2478/nbec-2013-0010 ◽

2013 ◽

Vol 12 (2) ◽

pp. 83-92 ◽

Cited By ~ 3

Author(s):

Veronika Uríčková ◽

Jana Sádecká ◽

Pavel Májek

Keyword(s):

Fluorescence Spectroscopy ◽

Emission Spectra ◽

Principal Component ◽

Hierarchical Cluster ◽

Alcoholic Beverages ◽

Front Face ◽

Excitation Wavelength ◽

Spectroscopic Techniques ◽

Excitation Spectra ◽

Linear Discriminant

Abstract Total luminescence and synchronous scanning fluorescence spectroscopic techniques were investigated for differentiating brandies from mixed wine spirits. The studies were performed on 16 brandies from 3 different producers and 30 mixed wine spirits from 5 different producers. Differentiation between samples was accomplished by multivariate data analysis methods (principal component analysis, hierarchical cluster analysis, and linear discriminant analysis). Correct classification was obtained using emission spectra (400-650 nm) recorded at excitation wavelength 390 nm, excitation spectra (225-460 nm) obtained at emission wavelength 470 nm and synchronous fluorescence spectra (200-700 nm) collected at wavelength interval 80 nm. These results indicate that right-angle fluorescence spectroscopy offers a promising approach for the authentication of brandies as neither sample preparation nor special qualification of the personnel are required, and data acquisition and analysis are relatively simple when compared to front-face technique.

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Impurity profile analysis of drug products containing acetylsalicylic acid: a chemometric approach

Open Chemistry ◽

10.2478/s11532-013-0243-2 ◽

2013 ◽

Vol 11 (7) ◽

pp. 1091-1100 ◽

Cited By ~ 1

Author(s):

Joanna Ronowicz ◽

Bogumiła Kupcewicz ◽

Joanna Mydłowska ◽

Elżbieta Budzisz

Keyword(s):

Acetylsalicylic Acid ◽

Profile Analysis ◽

Principal Component ◽

Analytical Techniques ◽

Hierarchical Cluster ◽

Data Sets ◽

Impurity Profile ◽

Hierarchical Segmentation ◽

Drug Products ◽

Impurity Profiles

AbstractIn this work attention is focused on impurity profile analysis in combination with infrared spectroscopy and chemometric methods. This approach is considered as an alternative to generally complex and time-consuming classic analytical techniques such as liquid chromatography. Various strategies for constructing descriptive models able to identify relations among drug impurity profiles hidden in multivariate chromatographic data sets are also presented and discussed. The hierarchical (cluster analysis) and non-hierarchical segmentation algorithms (k-means method) and principal component analysis are applied to gain an overview of the similarities and dissimilarities among impurity profiles of acetylsalicylic acid formulations. A tree regression algorithm based on infrared spectra is used to predict the relative content of impurities in the drug products investigated. Satisfactory predictive abilities of the models derived indicate the possibility of implementing them in the quality control of drug products.

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Strong Down-Conversion Emission of Sm3+ Doped Borotellurite Glass under 480 nm Excitation Wavelength

Key Engineering Materials ◽

10.4028/www.scientific.net/kem.705.204 ◽

2016 ◽

Vol 705 ◽

pp. 204-208

Author(s):

Siti Nasuha Rafien ◽

Azman Kasim ◽

Azhan Hashim ◽

S. Akmal Syamsyir ◽

Mardhiah Abdullah ◽

...

Keyword(s):

Chemical Properties ◽

Emission Spectra ◽

Ultra Violet ◽

Luminescence Spectra ◽

Excitation Wavelength ◽

Physical Parameters ◽

Tellurite Glasses ◽

Physical And Chemical ◽

Down Conversion ◽

And Chemical Properties

Tellurite glasses were generally applied in rare earth optical materials due to their excellent in physical and chemical properties. In this study, tellurite glasses composed of (70-x)TeO2-20B2O3-10ZnO-xSm2O3 (x = 0.0, 0.5, 1.0, 1.5, 2.0 and 2.5 mol %) were prepared by conventional melt-quenching technique. Some basic physical parameters such as density, molar volume and oxygen packing density as well as the optical analysis by mean of their absorption and emission spectra have been carried out at room temperature using UV/Vis and photoluminescence spectrophotometer. The result of physical properties are found to vary with respect to concentration of Sm3+ ions content. Meanwhile, three strong absorption peaks are observed and are well resolved in the ultra violet and visible regions due to transitions between the ground state and various excited state of Sm3+ ions. Under 480nm laser excitation, luminescence spectra exhibit four emission bands at 562 nm, 599 nm, 645 nm and 706 nm which corresponding to the transition 4G5/2 → 6H5/2, 4G5/2 → 6H7/2, 4G5/2 → 6H9/2 and 4G5/2 → 6H11/2 were observed. Some other results were also been analysed and presented.

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EFEITO DE DOSES DE INSETICIDA E ADJUVANTE NO CONTROLE DE PHYLLOCNISTIS CITRELLASTAINTON (LEPIDOPTERA: GRACILLARIIDAE) EM LIMA ÁCIDA TAHITI

Colloquium Agrariae ◽

10.5747/ca.2018.v14.n3.a229 ◽

2018 ◽

Vol 14 (3) ◽

pp. 72-81

Author(s):

Marcos Doniseti Michelotto ◽

Willians César Carrega ◽

Juliana Altafin Galli ◽

Maycon Ferraz ◽

Tamiris Marion de Souza ◽

...

Keyword(s):

Multivariate Analysis ◽

Statistical Design ◽

Principal Component ◽

Hierarchical Cluster ◽

Fruit Production ◽

Leaf Miner ◽

Control Treatment ◽

Citrus Leaf ◽

Acid Lime ◽

And Control

Citrus leaf miner, Phyllocnistis citrellaStainton,1856 (Lepidoptera,Gracillariidae), is one of the main pests of the culture of acid lime Tahiti and control chemical is the primary method of control. The objective of this study was to testthe effect of insecticide treatments associated with adjuvant, in increasing the efficiency of control of citrus leaf miner in acid lime Tahiti. An experiment was installed in statistical design of randomized blocks with five treatments and four repetitions. The treatments consisted of a control treatment without application of pesticides and the use of the insecticide Ampligo® (clorantraniliprole + lambda-cialotrina) at the recommended dosage, at half the recommended dose and associated with the adjuvant. Three applications were carried out respecting the shortage period of the product. The damages of citrus leaf miner wereassessed in five branches of the central plant.Fruits wereharvest and determining the number and the mass (kg) of fruit per plant.The data were subjected to analysis of variance (F test) and the means were compared by Tukey test (P ≤ 0.05). Also the data were submitted to multivariate analysis using hierarchical cluster analysis techniques and principal component analysis (PCA). All treatments were effective in reducing the attack symptoms of citrus leaf miner, highlighting insecticide in half dosage and application of insecticide in half dosage with the adjuvant.The multivariate analysis was effective in discriminating application treatments of insecticides and adjuvant, and showa direct relationship between the citrus leaf miner and the decrease in fruit production.

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Supplemental Material: A sub-centennial-scale optically stimulated luminescence chronostratigraphy and late Holocene flood history from a temperate river confluence

10.1130/geol.s.12250157.v1 ◽

2020 ◽

Author(s):

Ben Pears

Keyword(s):

Statistical Analysis ◽

Accumulation Rate ◽

Sediment Accumulation ◽

Principal Component ◽

Hierarchical Cluster ◽

Sediment Accumulation Rate ◽

Data Sets ◽

Raw Data ◽

Summary Sheet ◽

Agglomerative Hierarchical Cluster Analysis

S1–S16; Figures S1 (sediment accumulation rate modeled by OxCal and Bacon) and S2 (relative moisture values between OSL and LOI analytical methods); Table S1 (OSL procedure from the Rivers Severn-Teme confluence at Powick, UK); and Data Sets S1 (raw data for the modeled calendric dates, sediment accumulation rate, and sedimentological analyses), S2 (raw and log normalized data for ITRAX XRF analysis and key elements Zr, Rb, Fe, Mn, and heavy metals illustrated in Fig. 2), S3 (individual raw data sets for each 5 cm pOSL run alongside a background sediment sample and a summary sheet of all data and replicates), S4 (raw data, log normalized data, and statistical analysis used in the agglomerative hierarchical cluster analysis illustrated in Fig, 2), S5 (calculated log data of sedimentary analyses by 50 yr period and the statistical analysis used in the principal component analysis illustrated in Fig. 3), and S6 (20 yr grouping for the sediment deposition models for the Severn-Teme confluence at Powick, Broadwas, and Buildwas and climatic datasets illustrated in Fig. 4)<br>

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A study of new antimalarial artemisinins through molecular modeling and multivariate analysis

Journal of the Serbian Chemical Society ◽

10.2298/jsc100126124f ◽

2010 ◽

Vol 75 (11) ◽

pp. 1533-1548 ◽

Cited By ~ 7

Author(s):

João Ferreira ◽

Antonio Figueiredo ◽

Jardel Barbosa ◽

Maria Cristino ◽

Williams Macedo ◽

...

Keyword(s):

Multivariate Analysis ◽

Antimalarial Activity ◽

External Validation ◽

Geometry Optimization ◽

Principal Component ◽

Hierarchical Cluster ◽

Partial Least Square ◽

Least Square ◽

Basis Set ◽

Validation Parameters

Artemisinin and 18 derivatives with antimalarial activity against W-2 strains of Plasmodium falciparum were studied through quantum chemistry and multivariate analysis. The geometry optimization of the structures was realized with the Hartree-Fock (HF) theory and 3-21G basis set. Maps of molecular electrostatic potential (MEP) and molecular docking were used to investigate the interaction between the ligands and the receptor (heme). Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA) were employed to select the most important descriptors related to activity. A predictive model was generated by the Partial Least Square (PLS) method through 15 molecules and 4 used as an external validation set, which were selected in the training set, the validation parameters of which are Q2 = 0.85 and R2 = 0.86. The model included as molecular parameters, the radial distribution function, RDF060e, the hydration energy, HE, and the distance between the O1 atom from the ligand and the iron atom from heme, d(Fe-O1). Thus, the synthesis of new derivatives may follow the results of the MEP maps and the PLS analysis.

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Luminescence spectroscopy of Mn2+ rock-forming carbonates

Mineralogical Magazine ◽

10.1180/minmag.1989.053.370.07 ◽

1989 ◽

Vol 53 (370) ◽

pp. 201-211 ◽

Cited By ~ 22

Author(s):

G. Walker ◽

O. E. Abumere ◽

B. Kamaluddin

Keyword(s):

Simple Model ◽

Metal Cation ◽

Room Temperature ◽

Emission Spectra ◽

Luminescence Spectroscopy ◽

Ligand Field ◽

Absorption Profile ◽

Excitation Spectra ◽

Cation Site ◽

Ligand Field Parameters

AbstractCathodoluminescence emission spectra and luminescence excitation spectra of Mn2+ in calcites, dolomites, magnesites, a manganocalcite and a rhodochrosite have been measured at both room temperature and 77 K. Ligand-field parameters have been calculated from the excitation spectra which reflect the size of the metal cation site in which the Mn2+ ion resides. The technique of luminescence excitation spectra has enabled the absorption profile of Mn2+ in Mg and Ca sites in dolomite to be separately determined. The variation of the distribution of Mn2+ between Mg and Ca sites in dolomites is demonstrated and discussed in terms of a simple model. It is concluded that the distribution of Mn2+ in dolomites may well provide information about its conditions of formation and/or subsequent alteration.

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Luminescence spectroscopic investigations of europium complexes formed in the kaolinite-humic acid/citric acid systems

Radiochimica Acta ◽

10.1515/ract-2019-3148 ◽

2020 ◽

Vol 108 (11) ◽

pp. 859-871

Author(s):

Parveen Kumar Verma ◽

Prasanta Kumar Mohapatra

Keyword(s):

Citric Acid ◽

Humic Acid ◽

Emission Spectra ◽

Luminescence Spectroscopy ◽

Excitation Spectra ◽

Europium Complexes ◽

Ternary Complex Formation ◽

Kaolinite Surface ◽

Aqueous Complexation ◽

The Eu

AbstractIn the present study, the nature of Eu(III) complexes (Eu(III) was used as a surrogate for Am(III)) formed in kaolinite–humic acid (HA)/citric acid (CA) system was investigated by luminescence spectroscopy. In addition to the ternary system (kaolinite + Eu + L(CA/HA)), the binary system (Eu-L) was also looked at for a better understanding of the complexes formed at the kaolinite surface. The lifetime and emission spectra of Eu-L complexes on the kaolinite surface differ considerably as compared to the same in the aqueous phase. The Eu-HA aqueous complexation shows differences in the excitation spectra with similar decay lifetimes with increasing aqueous HA concentrations. The ligand-to-metal charger transfer (LMCT) in the Eu-HA excitation spectra suggests the complexation of Eu(III) with HA at pH ∼ 4. Although the mode of Eu(III) binding to the kaolinite surface in the presence of CA/HA was the same i.e. metal-bridged ternary complex formation, the local surroundings around the sorbed Eu(III) differ in the two cases. The loading of HA in the Eu-HA-kaolinite system does not have a large effect on the local structure around the sorbed Eu(III) ion, but enhances the percentage of Eu(III) uptake onto the kaolinite surface. The number of H2O molecules in the primary hydration sphere of sorbed Eu(III) differs in the Eu-HA-kaolinite and Eu-CA-kaolinite systems. In addition, Eu(III) assisted precipitation of HA was also seen using a radiometric method.

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Supplemental Material: A sub-centennial-scale optically stimulated luminescence chronostratigraphy and late Holocene flood history from a temperate river confluence

10.1130/geol.s.12250157 ◽

2020 ◽

Author(s):

Ben Pears

Keyword(s):

Statistical Analysis ◽

Accumulation Rate ◽

Sediment Accumulation ◽

Principal Component ◽

Hierarchical Cluster ◽

Sediment Accumulation Rate ◽

Data Sets ◽

Raw Data ◽

Summary Sheet ◽

Agglomerative Hierarchical Cluster Analysis

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Application of Multivariate Analysis in the Evaluation of Metals Distribution in Soil from Awwal Mining Site Kebbi, Nigeria

Nigerian Journal of Basic and Applied Sciences ◽

10.4314/njbas.v27i1.3 ◽

2020 ◽

Vol 27 (1) ◽

pp. 17-24

Author(s):

G. Shehu ◽

I.B. Koki

Keyword(s):

Multivariate Analysis ◽

Health And Safety ◽

Principal Component ◽

Hierarchical Cluster ◽

Underground Water ◽

Soil Samples ◽

Toxic Heavy Metals ◽

Multivariate Statistical ◽

Mining Site ◽

Metal Levels

Multivariate statistical techniques such as principal component analysis (PCA), factor analysis (FA), and hierarchical cluster analysis (HCA) were utilized for the evaluation of metal distribution and variations in the soil at Awwal mining site. PCA was used to determine a reduced number of three principal components (PC) indicating about 82% of the total variation in the soil samples. The result of FA justifies the results of the PCA obtained. HCA classified the soil samples at the sites into two clusters, with cluster one having the higher metal levels, while cluster two had low metal levels but characterized with dominant toxic heavy metals (As and Pb). The results of the multivariate analysis showed that natural percentage abundance in soil and mineral composition of the mining ores were the main sources of the metals under study. Due to high metal levels in the soils, disposal and management of the mining waste/tailings and rehabilitation of the mining site after closure of mining should be done with care and caution to avoid leaching of the toxic metals to surface and underground water for the protection of health and safety of the neighboring community. Keywords: Soil, Metals, Mining, Multivariate analysis, Awwal.

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