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Journal articles on the topic 'Spectrophotometric data'

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Author: Grafiati

Published: 10 December 2022

Last updated: 28 January 2023

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1

Morawski, Roman Z. "Measurement Data Processing in Spectrophotometric Analysers of Food." Metrology and Measurement Systems 19, no. 4 (December 1, 2012): 623–52. http://dx.doi.org/10.2478/v10178-012-0056-1.

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Abstract Spectrometry, especially spectrophotometry, is getting more and more often the method of choice not only in laboratory analysis of (bio)chemical substances, but also in the off-laboratory identification and testing of physical properties of various products, in particular - of various organic mixtures including food products and ingredients. Specialised spectrophotometers, called spectrophotometric analysers, are designed for such applications. This paper is on the state of the art in the domain of data processing in spectrophotometric analysers of food (including beverages). The following issues are covered: methodological background of food analysis, physical and metrological principles of spectrophotometry, the role of measurement data processing in spectrophotometry. General considerations are illustrated with examples, predominantly related to wine and olive oil analysis.

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Tucker, M. A., B. J. Shappee, M. E. Huber, A. V. Payne, A. Do, J. T. Hinkle, T. de Jaeger, et al. "The Spectroscopic Classification of Astronomical Transients (SCAT) Survey: Overview, Pipeline Description, Initial Results, and Future Plans." Publications of the Astronomical Society of the Pacific 134, no. 1042 (December 1, 2022): 124502. http://dx.doi.org/10.1088/1538-3873/aca719.

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Abstract We present the Spectroscopic Classification of Astronomical Transients (SCAT) survey, which is dedicated to spectrophotometric observations of transient objects such as supernovae and tidal disruption events. SCAT uses the SuperNova Integral-Field Spectrograph (SNIFS) on the University of Hawai’i 2.2 m (UH2.2m) telescope. SNIFS was designed specifically for accurate transient spectrophotometry, including absolute flux calibration and host-galaxy removal. We describe the data reduction and calibration pipeline including spectral extraction, telluric correction, atmospheric characterization, nightly photometricity, and spectrophotometric precision. We achieve ≲5% spectrophotometry across the full optical wavelength range (3500–9000 Å) under photometric conditions. The inclusion of photometry from the SNIFS multi-filter mosaic imager allows for decent spectrophotometric calibration (10%–20%) even under unfavorable weather/atmospheric conditions. SCAT obtained ≈640 spectra of transients over the first 3 yr of operations, including supernovae of all types, active galactic nuclei, cataclysmic variables, and rare transients such as superluminous supernovae and tidal disruption events. These observations will provide the community with benchmark spectrophotometry to constrain the next generation of hydrodynamic and radiative transfer models.

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Kabay, Nilgün, Ümmühan Ocak, Serhat Gün, and Yaşar Gök. "Synthesis of metal-free and zinc phthalocyanines containing 2-pyridyl-methyl pendant arm linked with NS4-donor macrocyclic moiety and their selectivity towards Cu(II) cations." Journal of Porphyrins and Phthalocyanines 17, no. 06n07 (June 2013): 480–88. http://dx.doi.org/10.1142/s1088424613500600.

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New phthalonitrile (L1), metal-free phthalocyanine (H2Pc) and zinc-phthalocyanine (ZnPc) substituted in peripheral positions with 2-pyridyl methyl pendant arm linked mixed donor macrocyclic ligands have been prepared in a multi-step reaction sequence. The novel compounds were characterized by a combination of elemental anlaysis, 1 H NMR, 13 C NMR, IR, UV-vis and MS spectral data. The influence of metal cations such as Cd 2+, Zn 2+, Hg 2+, Al 3+, Fe 3+ and Cu 2+ on the spectroscopic properties of dinitrile compound L1 and free phthalocyanine H2Pc was investigated by means of absorption spectrophotometry. Spectrophotometric titrations were carried out with these ligands for Cu 2+ ion. The complex composition of Cu - L1 was found 1:1 by means of spectrophotometric titration data. The spectrophotometric method showed good sensitivity for Cu 2+ with linear range of 2.6 × 10-6 to 1.3 × 10-4 M with dinitrile compound.

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Dworkowski, Florian S. N., Michael A. Hough, Guillaume Pompidor, and Martin R. Fuchs. "Challenges and solutions for the analysis ofin situ,in crystallomicro-spectrophotometric data." Acta Crystallographica Section D Biological Crystallography 71, no. 1 (January 1, 2015): 27–35. http://dx.doi.org/10.1107/s1399004714015107.

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Combining macromolecular crystallography within crystallomicro-spectrophotometry yields valuable complementary information on the sample, including the redox states of metal cofactors, the identification of bound ligands and the onset and strength of undesired photochemistry, also known as radiation damage. However, the analysis and processing of the resulting data differs significantly from the approaches used for solution spectrophotometric data. The varying size and shape of the sample, together with the suboptimal sample environment, the lack of proper reference signals and the general influence of the X-ray beam on the sample have to be considered and carefully corrected for. In the present article, how to characterize and treat these sample-dependent artefacts in a reproducible manner is discussed and theSLS-APEin situ,in crystallooptical spectroscopy data-analysis toolbox is demonstrated.

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5

Lei, Yan Hong. "Spectrophotometric Method for the Assay of Aspirin." Applied Mechanics and Materials 602-605 (August 2014): 2097–100. http://dx.doi.org/10.4028/www.scientific.net/amm.602-605.2097.

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A selective method was developed for the determination of aspirin by Spectrophotometric method .The spectra (range: λ=200~320 nm) were processed. The linear ranges of aspirin was at 50.28 ~ 125.7μg • mL-1 .the aspirin showed good linear correlation.The ultraviolet spectrophotometry data of the samples were also used to evaluate the samples’ quantitative composition.It was shown that recovery of the method by standard addition method was respectively valued 102.06% for aspirin .The method was simple,reliable,accurate,reproducible with high sensitivity and selectivity.

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6

Michel, Erik, Andreas Entenmann, and Miriam Michel. "Pulse Spectrophotometric Determination of Plasma Bilirubin in Newborns." International Journal of Biomedical and Clinical Engineering 5, no. 1 (January 2016): 21–30. http://dx.doi.org/10.4018/ijbce.2016010103.

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In neonatal jaundice, plasma bilirubin has to be measured repeatedly in order to direct phototherapy. Invasive determination is standard. The authors delineate a concept for the non-invasive spectrophotometric determination of absolute plasma bilirubin concentration. By referencing the pulsatile spectrophotometric signal component of the metabolite of interest (MOI, here: bilirubin) to the pulsatile spectrophotometric signal component of a reference metabolite (MOR, here: water) of known plasma concentration, the absolute MOI concentration can be calculated. Based on Beer-Lambert's law and some reasonable assumptions, the authors developed a theoretical concept for the calculation of MOI concentration. They suggest light of 1200 nm wavelength to measure MOR, 795 nm and 570 nm to measure hemoglobin as correction signal, and 450 nm to measure the MOI. To enhance data quality one could assign several wavelengths to each metabolite. Since in tissue spectrophotometry Beer-Lambert's law does not reflect physiology accurately, it will be necessary to empirically fine-tune the computer algorithms.

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7

Lepot, Mathieu, Jean-Baptiste Aubin, François H. L. R. Clemens, and Alma Mašić. "Outlier detection in UV/Vis spectrophotometric data." Urban Water Journal 14, no. 9 (February 8, 2017): 908–21. http://dx.doi.org/10.1080/1573062x.2017.1280515.

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8

Benoudjit, N., F. Melgani, and H. Bouzgou. "Multiple regression systems for spectrophotometric data analysis." Chemometrics and Intelligent Laboratory Systems 95, no. 2 (February 2009): 144–49. http://dx.doi.org/10.1016/j.chemolab.2008.10.001.

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9

Karacan, Elif, Mehmet Gokhan Çaġlayan, İsmail Murat Palabiyik, and Feyyaz Onur. "Liquid Chromatographic and Spectrophotometric Determination of Diflucortolone Valerate and Isoconazole Nitrate in Creams." Journal of AOAC INTERNATIONAL 94, no. 1 (January 1, 2011): 128–35. http://dx.doi.org/10.1093/jaoac/94.1.128.

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Abstract A new RP-LC method and two new spectrophotometric methods, principal component regression (PCR) and first derivative spectrophotometry, are proposed for simultaneous determination of diflucortolone valerate (DIF) and isoconazole nitrate (ISO) in cream formulations. An isocratic system consisting of an ACE® C18 column and a mobile phase composed of methanol–water (95+5, v/v) was used for the optimal chromatographic separation. In PCR, the concentration data matrix was prepared by using synthetic mixtures containing these drugs in methanol–water (3+1, v/v). The absorbance data matrix corresponding to the concentration data matrix was obtained by measuring the absorbances at 29 wavelengths in the range of 242–298 nm for DIF and ISO in the zero-order spectra of their combinations. In first derivative spectrophotometry, dA/dλ values were measured at 247.8 nm for DIF and at 240.2 nm for ISO in first derivative spectra of the solution of DIF and ISO in methanol–water (3+1, v/v). The linear ranges were 4.00–48.0 μg/mL for DIF and 50.0–400 μg/mL for ISO in the LC method, and 2.40–40.0 μg/mL for DIF and 60.0–260 μg/mL for ISO in the PCR and first derivative spectrophotometric methods. These methods were validated by analyzing synthetic mixtures. These three methods were successfully applied to two pharmaceutical cream preparations.

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Tarasov, A. P., and D. A. Rogatkin. "Universality of the Top-Level Software Structure for Noninvasive Spectrophotometric Diagnostic Devices." Herald of the Bauman Moscow State Technical University. Series Instrument Engineering, no. 2 (125) (April 2019): 104–15. http://dx.doi.org/10.18698/0236-3933-2019-2-104-115.

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The paper justifies the possibility of creating software with a universal top-level structure using LabVIEW for noninvasive spectrophotometric diagnostic devices. To attain these ends it is proposed to use a modular structure of the program where specialized modules directly associated with measurements and processing measurement data work independently of common modules designed for working with service textual information and databases, and having no strong differences for different noninvasive medical spectrophotometry methods

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11

Wagner, Jakub, Roman Z. Morawski, and Andrzej Miękina. "Comparison of Five Svd-Based Algorithms for Calibration of Spectrophotometric Analyzers." Metrology and Measurement Systems 21, no. 2 (June 1, 2014): 191–204. http://dx.doi.org/10.2478/mms-2014-0017.

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Abstract Spectrophotometry is an analytical technique of increasing importance for the food industry, applied i.a. in the quantitative assessment of the composition of mixtures. Since the absorbance data acquired by means of a spectrophotometer are highly correlated, the problem of calibration of a spectrophotometric analyzer is, as a rule, numerically ill-conditioned, and advanced data-processing methods must be frequently applied to attain an acceptable level of measurement uncertainty. This paper contains a description of four algorithms for calibration of spectrophotometric analyzers, based on the singular value decomposition (SVD) of matrices, as well as the results of their comparison - in terms of measurement uncertainty and computational complexity - with a reference algorithm based on the estimator of ordinary least squares. The comparison is carried out using an extensive collection of semi-synthetic data representative of trinary mixtures of edible oils. The results of that comparison show the superiority of an algorithm of calibration based on the truncated SVD combined with a signal-to-noise ratio used as a criterion for the selection of regularisation parameters - with respect to other SVD-based algorithms of calibration.

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12

Labhardt, Lukas, and Roland Buser. "Calibration of Photometric Systems from Homogeneous Spectrophotometric Data." Symposium - International Astronomical Union 111 (1985): 519–21. http://dx.doi.org/10.1017/s0074180900079365.

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The atlas of stellar spectrophotometric data published by Gunn and Stryker (GS, 1983) constitutes an extremely valuable tool for the evaluation and calibration of photometric systems. The resolution of the scanner fluxes (10 or 20 Å), given for a broad wavelength range (λλ 3160–10620 Å) and the systematic coverage of stellar types are (almost) ideal for calculating synthetic colors for Becker's (1946) photographic RGU system which has been extensively applied in galactic structure work (cf. Buser 1981). Since RGU photometry is tightly linked to UBV data (Steinlin 1968, Buser 1978b), the Gunn-Stryker atlas has been used in the present paper to evaluate these two systems and subsequently investigate the resulting calibration of the RGU colors in terms of MK spectral classification.

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13

Suhartono, Eko, Ari Yunanto, Edi Hartoyo, Nia Kania, Adelia Anggraini Utama, Ratih Kumala Sari, Niarsari Anugrahing Putri, and Iskandar Thalib. "UV-Visible Spectrophotometric as a Prospective Tool in Neonatal Sepsis." Indonesian Biomedical Journal 10, no. 1 (April 29, 2018): 74. http://dx.doi.org/10.18585/inabj.v10i1.360.

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BACKGROUND: This study was aimed to employ the UV-Visible (UV-Vis) spectrophotometry techniques to detect the changes in the blood of neonatal sepsis (NS) subject for a deeper understanding in the pathomechanism of NS.METHODS: The cross-sectional study was conducted from February to May 2017 in the Neonatology Division, Department of Pediatric, Ulin General Hospital/Faculty of Medicine, Lambung Mangkurat University, Banjarmasin, South Kalimantan, Indonesia. Blood specimens were taken from newborns, of which 15 each of newborns at risk of sepsis and without risk of sepsis. Data were analyzed by using Mann-Whitney U test.RESULTS: The result of this study suggested that there is a significant difference in the average of absorbance ratio parameter using UV-Vis spectrophotometric methods on the case group compared to the control group. Also, there is a significant difference between advanced oxidation protein products (AOPPs) and thiocyanate (SCN) level in newborn at risk of sepsis.CONCLUSION: The present study demonstrated there were significant differences between the average of absorbance ratio parameter for protein and oxy-hemoglobin region using UV-Vis spectrophotometric methods in healthy subjects and newborn at risk of sepsis.KEYWORDS: spectrophotometric, neonatal sepsis, oxidative stress

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14

Marques, Morgana Souza, Fernando Dal Pont Morisso, Fernanda Poletto, and Irene Clemes Külkamp Guerreiro. "Development of derivative spectrophotometric method for simultaneous determination of pyrazinamide and rifampicin in cubosome formulation." Drug Analytical Research 5, no. 1 (June 30, 2021): 46–50. http://dx.doi.org/10.22456/2527-2616.111454.

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The ultraviolet spectrophotometry analysis for quantitative assay of drugs is a method accurate, sensitive, selective and reproductive with the advantage of being a simple and less expensive method. In this study, a derivative ultraviolet spectrophotometric method was developed for simultaneous determination of pyrazinamide (PYZ) and rifampicin (RIF). The spectrophotometric method was evaluated according to validation guidelines for specificity, linearity, limits of detection and quantification, precision, accuracy and robustness. The first-derivative spectra were obtained and by the zerocrossing point, the wavelength 247 nm and 365 nm were selected for PYZ and RIF quantification, respectively. No interference from cubosome excipients was detected in the proposed method. The results demonstrated linearity in a range of 4.0 – 12.0 µg/mL with an adequate correlation coefficient for both drugs. The intra and inter-day precision results (RSD < 5%) indicated the reproducibility of the method. The accuracy data showed satisfactory results (RSD < 5%) from recovery test. In addition, the robustness results showed that the PYZ and RIF content were unaffected by the solvent alteration of methanol to methanol:water (99:1, v/v). The derivative ultraviolet spectrophotometric method proved to be an excellent strategy for simultaneous determination of PYZ and RIF.

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15

Lotfy, Hayam M., and Sarah S. Saleh. "RECENT DEVELOPMENT IN ULTRAVIOLET SPECTROPHOTOMETRY THROUGH THE LAST DECADE (2006–2016): A REVIEW." International Journal of Pharmacy and Pharmaceutical Sciences 8, no. 10 (August 12, 2016): 40. http://dx.doi.org/10.22159/ijpps.2016v8i10.13537.

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<p>Several techniques have been proposed for treatment of spectrophotometric data, with the objective of extracting the largest amount of analytical information from spectra composed of unresolved bands. The instrumental development and analytical applications of UV regions absorption spectrophotometry produced in the last 10 y (since 2006) are reviewed. The methods were classified according to the spectra data used, including zero order absorption, derivative and ratio amplitudes. The proposed methods were applied to solve different complex pharmaceutical mixtures and the obtained results were accepted when compared to other reported methods. </p>

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16

Petrov, G. T., B. Z. Kovachev, and V. A. Mineva. "Some spectrophotometric data for 31 galaxies from Karchentsev's list." Astrophysics and Space Science 116, no. 2 (November 1985): 333–40. http://dx.doi.org/10.1007/bf00653787.

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17

Dueñas Cueva, Jacqueline M., Adriana V. Rossi, and Ronei J. Poppi. "Modeling kinetic spectrophotometric data of aminophenol isomers by PARAFAC2." Chemometrics and Intelligent Laboratory Systems 55, no. 1-2 (January 2001): 125–32. http://dx.doi.org/10.1016/s0169-7439(00)00129-5.

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18

Shobbrook, R. R. "Photometric and Spectrophotometric Data Required for the SUSI Programme." International Astronomical Union Colloquium 136 (1993): 120–24. http://dx.doi.org/10.1017/s0252921100007466.

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The Sydney University Stellar Interferometer, SUSI, a modern version of a Michelson stellar interferometer, will be capable of measuring the angular diameters of stars down to V ≈ 8.0, for all spectral types. The resolution of the 640 m baseline — <0.1 milliarcsec at optical wavelengths — includes reasonable sample sizes of all spectral types and luminosity classes to this magnitude limit.The angular diameter data require complementary photometric, spectrophotometric and also spectroscopic data for the determination of fundamental parameters of single and multiple stars. This paper discusses the accuracy required of these data for some of the main problems to be tackled by SUSI. A selection of the programmes planned for this unique instrument is listed below, where the need for complementary data is also indicated.• The measurement of the changes of angular diameters of Cepheids and other pulsating stars such as Mira variables. Comparison with the linear changes determined from radial velocity curves will enable their distances and luminosities to be determined by an essentially geometric method.• The measurement of the angular sizes of the orbits and of one or both components of spectroscopic binary stars. This effectively makes them ‘visual’ binaries so that the orbital inclination, i, may be determined. When these data are combined with the velocity curve solutions which include (mass)sin3i and (semi – majoraxis)sin i, we may determine masses and linear radii of one or both components and also the distances to the systems. Also, the light curve of an eclipsing binary provides information on the ellipticities and radii of the components and on the eccentricity of the orbit — information which may be used to aid the analysis of the SUSI data. In addition, the determination of the light curve (some bright systems have not been observed for up to one or two decades) is the quickest method of finding the current phase of its orbit.• The establishment of the total-flux-based temperature scale of all spectral types and luminosity classes from O to M. This requires accurate photometry and spectrophotometry over as wide a wavelength range as possible; it therefore also requires observations from space observatories, as was also necessary for the analysis using the Narrabri intensity interferometer data (Code et al., 1976).• The measurement of diameters of stars with shells or extended atmospheres, such as Be and Wolf Rayet stars, at different wavelengths — in particular, in the emission lines.

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19

Khokhlov, A. A. "Robust method for dielectric tensor evaluation from spectrophotometric data." Physics of Particles and Nuclei Letters 8, no. 5 (September 2011): 494–97. http://dx.doi.org/10.1134/s1547477111050116.

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20

Hancock, Darrell O., and Robert E. Synovec. "Early Detection of C-130 Aircraft Engine Malfunction by Principal Component Analysis of the Wear Metals in C-130 Engine Oil." Applied Spectroscopy 43, no. 2 (February 1989): 202–8. http://dx.doi.org/10.1366/0003702894203075.

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Spectrophotometry analysis of engine oil for wear metal to detect engine malfunctions and failing engine components is the basis of the United States Air Force Spectrophotometric Oil Analysis Program (SOAP). This program was abandoned for C-130 transport aircraft because of difficulties in correlating the atomic emission spectroscopy data with engine problems. Principal component analysis (PCA), a factor analysis method, reveals information and structure not previously apparent in the C-130 oil analysis data. These results suggest that the C-130 SOAP program could be made viable with the significant advantages obtained through incorporation of PCA.

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21

Gao, Ling, and Shouxin Ren. "Multivariate calibration of spectrophotometric data using a partial least squares with data fusion." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 76, no. 3-4 (August 2010): 363–68. http://dx.doi.org/10.1016/j.saa.2010.03.024.

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22

Maslov, Oleksandr Yu, Mykola A. Komisarenko, Yulia S. Kolisnyk, and Tatyana A. Kostina. "Determination of catechins in green tea leaves by HPLC compared to spectrophotometry." Journal of Organic and Pharmaceutical Chemistry 19, no. 3(75) (October 20, 2021): 28–33. http://dx.doi.org/10.24959/ophcj.21.238177.

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Aim. To study the qualitative composition, the quantitative content of catechins in green tea leaves and compare the data obtained with those evaluated by spectrophotometry.Materials and methods. Green tea leaves used for the analysis were collected in Anhui Province, China. The extract for the HPLC analysis was obtained by the maceration method with 60 % ethanol twice in the raw material/extractant ratio of 1 : 20. In the case of the spectrophotometric analysis, green tea leaves were extracted with 70 % ethanol twice by the maceration method in the raw material/extractant ratio of 1 : 20. The analysis of the extract from green tea leaves was performed by high performance liquid chromatography using a Prominence LC-20 Shimadzu chromatographic system (Japan) with a SPD-20AV spectrophotometric detector, an Agilent Technologies Microsorb-MV-150 column (reversed phase, C18 modified silica gel, length – 150 mm, diameter – 4.6 mm, particles size – 5 μm). Substances in the extract were identified by comparing the retention time and the spectral characteristics of the test substances with the same characteristics of the reference standards. Spectrophotometric measurements were carried out using a UV-1000 single beam spectrophotometer (China) with the pair of S90-309Q quartz square cells.Results and discussion. Using high performance liquid chromatography 5 catechins were identified. Among them epigallocatechin-3-O-gallate (10.85 %) predominated, while catechin (0.61 %) had the lowest concentration. The total amount of catechins in green tea leaves was 30.56 and 24.79 % by HPLC and spectrophotometry, respectively. The F- and t-tests showed that there was no significant difference between the results of HPLC and spectrophotometry.Conclusions. The qualitative composition and the quantitative content of catechins have been determined in the extract from green tea leaves by high performance liquid chromatography and spectrophotometry. Both HPLC and spectrophotometric methods can be used to determine the total catechin content in green tea leaves. The high content of catechins makes the extract promising for further study and creation of new herbal medicinal products and dietary supplements. The results obtained will be used for standardization of green tea leaves and for future pharmacological research of its extract.

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23

Тrohimenko, O., O. Zaporozhets, and A. Тrohimenko. "IODIMETRY-PHOTOMETRIC DETERMINATION OF PERIODATE, IODATE AND BROMATE IN WATER SOLUTIONS." Bulletin of Taras Shevchenko National University of Kyiv. Chemistry, no. 2(54) (2018): 56–59. http://dx.doi.org/10.17721/1728-2209.2017.2(54).10.

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A simple and accurate three-step procedure for sequential spectrophotometric determinations of periodate, iodate and bromate in aqueous media has been developed. At the first stage the determination of periodate is based on the selective oxidation of the excess amount of iodide at pH=4.8 to produce iodine (triiodide), that can be found by spectrophotometric detection (λmax=350 nm). After detecting the analytical signal, iodine is removed from the solution by sorption on the polyurethane foam. In the second stage the determination of iodate is based on the selective oxidation of iodide at pH=3.0 to produce iodine (triiodide), that also can be found by spectrophotometric detection (λmax=350 nm). After detecting the analytical signal, also iodine is removed from the solution by sorption on the polyurethane foam. In the third stage the determination of bromate is based on the selective oxidation of iodide at pH=1.0 to produce iodine (triiodide), that also can be found by spectrophotometric detection (λmax=350 nm). It has been established that the equilibrium in the reaction (ІО4– + 7І– + 8Н+ → 4І2 +4Н2О) is established in 3 minutes at pH=4.8. The equilibrium in the both reactions (ІО3– + 5І– + 6Н+ → 3І2 +3Н2О and BrО3– + 6І– + 6Н+ → 3І2 +Br– +3Н2О) is established in 7 minutes at pH=3.0 and at pH=1.0 respectively. It was found that oxohalogates are quantitatively converted to I2 with ~ 100-fold molar excess iodide at appropriate optimal pH values. Schematically, the determination of IO4–, IO3– and BrO3– in their combined presence can be represented as follows: where SF is spectrophotometry in a solution at 350 nm: PUF is the polyurethane foam. Based on the data obtained, the model mixtures of periodate, iodate and bromate by sequential iodiometry-photometric method were analyzed. The error of determination in mixtures of each oxo-halogenate did not exceed 5%.

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24

Burnashev, V. I., and B. A. Burnasheva. "The UBV photometry of variable stars from absolute spectrophotometric data." Bulletin of the Crimean Astrophysical Observatory 106, no. 1 (June 2010): 63–67. http://dx.doi.org/10.3103/s0190271710010110.

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Dafonte, Carlos, Daniel Garabato, Marco Álvarez, and Minia Manteiga. "Distributed Fast Self-Organized Maps for Massive Spectrophotometric Data Analysis." Sensors 18, no. 5 (May 3, 2018): 1419. http://dx.doi.org/10.3390/s18051419.

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26

Tellinghuisen, Joel. "Equilibrium Constants from Spectrophotometric Data: Dimer Formation in Gaseous Br2." Journal of Physical Chemistry A 112, no. 26 (July 2008): 5902–7. http://dx.doi.org/10.1021/jp8020358.

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27

Ben Slima, M., R. Z. Morawski, and A. Barwicz. "Spline-based variational method with constraints for spectrophotometric data correction." IEEE Transactions on Instrumentation and Measurement 41, no. 6 (1992): 786–90. http://dx.doi.org/10.1109/19.199408.

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28

Keszei, E., M. G. Takács, and B. Vizkeleti. "A Straightforward Method to Determine Equilibrium Constants from Spectrophotometric Data." Journal of Chemical Education 77, no. 7 (July 2000): 927. http://dx.doi.org/10.1021/ed077p927.

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Cellino, Alberto, Paolo Tanga, Marco Delbo, Laurent Galluccio, Philippe Bendjoya, and Francesca De Angeli. "Using Gaia spectrophotometric data for the purposes of asteroid taxonomy." Proceedings of the International Astronomical Union 12, S330 (April 2017): 399–400. http://dx.doi.org/10.1017/s1743921317005403.

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AbstractA new asteroid taxonomy will be an important result of Gaia observations of Solar System objects. Since Gaia observes asteroids in observing conditions and in an interval of wavelength which are slightly different with respect to normal ground-based observations, a dedicated observing campaign has been carried out at the Telescopio Nazionale Galileo in La Palma (Canary Islands, Spain). The obtained spectra have been used to generate a large number of synthetic clones, each one having slight changes with respect to its parent spectrum. These synthetic spectra are then used to feed the algorithm of taxonomic classification developed to reduce Gaia asteroid spectra. Processing of these data is in progress.

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Türkşen, Özlem, and Nilüfer Vural. "Analyses of replicated spectrophotometric data by using soft computing methods." Journal of the Iranian Chemical Society 17, no. 10 (June 13, 2020): 2651–61. http://dx.doi.org/10.1007/s13738-020-01959-2.

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M., Firake Bhushan, Pathak Pranjalee V., Dorik Pallavi K., and Siddaiah M. "DEVELOPMENT AND VALIDATION OF A UV SPECTROPHOTOMETRIC METHOD FOR DETERMINATION OF AGOMELATINE IN BULK AND A TABLET DOSAGE FORM." Journal of Biomedical and Pharmaceutical Research 10, no. 1 (February 9, 2021): 22–25. http://dx.doi.org/10.32553/jbpr.v10i1.828.

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UV spectrophotometry is an analytical technique used routinely for qualitative and quantitative assay due the low cost and reliability during analysis. An simple, efficient, rapid, sensitive, precise and economical UV Spectrophotometric method has been developed for estimation of agomelatine from bulk and pharmaceutical formulation. The method was developed and validated according to International Conference on Harmonization (ICH Q2 R1) guidelines. The λmax of agomelatine in acetonitrile was found to be 229.6 nm. The analytical method validation parameters linearity, precision, accuracy, robustness were studied according to International Conference on Harmonization guidelines. Pure drug concentration was prepared in the range of 1-10 μg/ml and the linear regression analysis data showed good linear relationship with correlation coefficient value 0.9937. The precision of the method was studied as an intra- day, inter-day variations with value less than 2 % RSD. The limit of detection and limit of quantitation were found to be 0.577 and 1.248 μg/ml, respectively. Recoveries were found to be in the range of 100.815 to 101.744 % and % RSD was less than 2 %. This proposed UV spectroscopic method is simple and suitable for routine analysis. Keywords: Keywords: Agomelatine, Validation, UV Spectrophotometric method

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Tellinghuisen, Joel. "Precise Equilibrium Constants from Spectrophotometric Data: BrCl in Br2/Cl2Gas Mixtures." Journal of Physical Chemistry A 107, no. 5 (February 2003): 753–57. http://dx.doi.org/10.1021/jp027227w.

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Luk'yanets, E. A., E. V. Pykhtina, L. A. Ulanova, and M. A. Kovaleva. "ESR dosimeters based on metallodiphthalocyanines: Correlation between ESR and spectrophotometric data." Applied Radiation and Isotopes 47, no. 11-12 (November 1996): 1541–46. http://dx.doi.org/10.1016/s0969-8043(96)00206-0.

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Hadwan, Mahmoud Hussein, and Hussein Najm Abed. "Data supporting the spectrophotometric method for the estimation of catalase activity." Data in Brief 6 (March 2016): 194–99. http://dx.doi.org/10.1016/j.dib.2015.12.012.

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Perna, D., M. Fulchignoni, M. A. Barucci, S. Fornasier, C. Feller, J. D. P. Deshapriya, P. H. Hasselmann, et al. "Multivariate statistical analysis of OSIRIS/Rosetta spectrophotometric data of comet 67P/Churyumov-Gerasimenko." Astronomy & Astrophysics 600 (April 2017): A115. http://dx.doi.org/10.1051/0004-6361/201630015.

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Context. The ESA Rosetta mission explored comet 67P/Churyumov-Gerasimenko in 2014−2016, following its target before and after the perihelion passage on 13 August 2015. The NAC camera of the OSIRIS imaging system allowed to map the nucleus surface acquiring images with different filters in the visible wavelength range. Aims. Here we study the spectrophotometric behaviour of the nucleus by a multivariate statistical analysis, aiming to distinguish homogeneous groups and to constrain the bulk composition. Methods. We applied the G-mode clustering algorithm to 16 OSIRIS data cubes acquired on 5−6 August 2014 (mostly covering the northern hemisphere) and 2 May 2015 (mostly covering the southern hemisphere), selected to have complete coverage of the comet’s surface with similar observing conditions. Results. We found four similar homogeneous groups for each of the analysed cubes. The first group corresponds to the average spectrophotometric behaviour of the nucleus. The second (spectrally redder) and the third (spectrally bluer) groups are found in regions that were already found to deviate from the average terrain of the comet by previous studies. A fourth group (characterised by enhancements of the flux at 700−750 nm and 989 nm, possibly due to H2O+ and/or NH2 emissions) seems connected with the cometary activity rather than with the bulk composition. Conclusions. While our aim in this work was to study the spectrophotometric behaviour of the nucleus of 67P/Churyumov-Gerasimenko as a whole, we found that a follow-up application of the G-mode to smaller regions of the surface could be useful in particular to identify and study the temporal evolution of ice patches, as well as to constrain the composition and physical processes behind the emission of dust jets.

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Stong, John D. "A computer-controlled potentiometric/spectrophotometric titrator." Journal of Automatic Chemistry 10, no. 2 (1988): 95–100. http://dx.doi.org/10.1155/s1463924688000185.

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A laboratory computer controlled potentiometric titrator interfaced to a diode array spectrophotometer is described. The titrator consists of widely used, commercially available components; therefore, major attention is given to modes of interconnection and software implementation in data format and system control. Replicate potentiometric titrations of glycines gave a relative standard deviation in titre of 1.035% and a relative standard deviation in pH of 0.745%. Replicate spectrophotometric titrations of bromophenol blue were analysed at three wavelengths to yield pKa= 3.898 ± 0.075 (1.9% rsd).Methods of data presentation and manipulation are presented.

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Elhefnawy, O. A., and A. A. Elabd. "Zinc oxide impregnated resin for preconcentration and spectrophotometric determination of uranyl ions in aqueous solutions." Radiochimica Acta 106, no. 7 (July 26, 2018): 569–79. http://dx.doi.org/10.1515/ract-2017-2887.

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Abstract The objective of this work is to find a new, efficient and alternate low-cost adsorbent for preconcentration and spectrophotometric determination of uranyl ions U(VI) from aqueous solution. For this reason the new impregnated resin (ZnO/7HP) has been prepared by sol-gel technique. Characterization of ZnO/7HP was conducted using scanning electron microscopy/energy-dispersive X-ray spectrometer and X-ray diffraction, and Fourier transforms infrared spectroscopy. Several important parameters influencing the U(VI) adsorption such as pH, adsorbent amount, initial U(VI) concentration, contact time and temperature were investigated systematically by batch experiments. The obtained results showed that the equilibrium adsorption data were well fitted to the Langmuir model with a maximum adsorption amount of 24.96 mg/g. While the adsorption kinetics data were described well by the pseudo-second order model. This result indicates that the adsorption process is chemisorption. Thermodynamic results indicate that the U(VI) adsorption process is endothermic nature and favors at high temperature. Hydrochloric acid was used for preconcentration of U(VI) and detected spectrophotometry after the reaction with Arsenazo III. According to the definition of International Union of Pure and Applied Chemistry, the detection limit of this method was 0.12 μg/L. The relative standard deviation under optimum conditions is less than 3.0 % (n=5). The new impregnated resin ZnO/7HP is a promising adsorbent for preconcentration and spectrophotometric determination of U(VI) in aqueous solutions.

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Tellinghuisen, Joel. "On the Role of Statistical Weighting in the Least-Squares Analysis of UV-Visible Spectrophotometric Data." Applied Spectroscopy 54, no. 8 (August 2000): 1208–13. http://dx.doi.org/10.1366/0003702001950788.

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Spectrophotometric data are inherently heteroscedastic, which means that least-squares component analyses of absorbance spectra should properly employ weighted fits. The effects of neglecting weights (the common practice) is examined through Monte Carlo calculations on a three-peak model having two closely overlapping components of comparable strength and a third component that appears as a weak shoulder. The results show statistically significant loss of precision in all parameters; however the magnitude of this loss is ≤30% for realistic conditions. For comparison, experimental spectra of I2 in CCl4 (which was the basis for the Monte Carlo test model) are similarly analyzed. These results suggest that model inadequacy is likely to be a greater practical problem than neglect of weights, because the great precision of spectrophotometric data places extreme demands on the fit model. In the present instance, for example, incorporation of a correction term for the sinusoidal error in the spectrometer wavelength significantly reduces the fit chi-square.

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Magdy, Ragaa, Ahmed Hemdan, Nermine Victor Fares, and Maha Farouk. "Application of two different spectrophotometric approaches for the determination of a new antihypertensive combination: Graphical and statistical representation of the data." European Journal of Chemistry 13, no. 3 (September 30, 2022): 267–72. http://dx.doi.org/10.5155/eurjchem.13.3.267-272.2272.

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Speciﬁc, and precise spectrophotometric methods are developed and validated for the simultaneous determination of the binary antihypertensive mixture nebivolol hydrochloride and valsartan in the zero-order spectrum. The methods applied for the determination of this antihypertensive mixture are constant center spectrophotometric resolution technique, constant center spectrum subtraction resolution technique, and advanced concentration value. Nebivolol hydrochloride was determined by its zero order spectra at 280 and 213 nm while for valsartan it determined by its zero order spectra at 250 nm. All developed methods were applied for the determination of the cited drugs in the pharmaceutical formulation and the results obtained were statistically compared with each other and with those of the reported method. The comparison showed that there is no significant difference between the proposed methods and the reported method regarding both accuracy and precision.

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Shapovalov, Serghiy. "Association of 5,5′-Dibromo-o-Cresolsulfonphthalein Anions with Dye Cations in Aqueous Solution." Chemistry & Chemical Technology 16, no. 3 (September 30, 2022): 387–97. http://dx.doi.org/10.23939/chcht16.03.387.

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The formation of associates in aqueous solutions between single- or double-charged anions of 5,5′-dibromo-o-cresolsulfonphthaleine and single-charged cations of cyanine dyes (quinaldine blue, quinaldine red) has been considered. Based on the spectrophotometric data, the equilibrium constants of the association were analyzed. The energy of cation-anion interactions (standard enthalpy of formation of ions and associates) was determined by the semi-empirical AM1 method and probable structures of associates were set. The consistency between experimental spectrophotometric and calculated quantum chemical data is discussed.

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Zamaraeva, Anna I., Natalya S. Bessonova, Tatyana A. Kobeleva, and Alik I. Sichko. "Spectrophotometric quantitative analysis of metronidazole and itraconazole in a combined preparation made on the basis of Tizol gel." Aspirantskiy Vestnik Povolzhiya 20, no. 5-6 (July 15, 2020): 157–63. http://dx.doi.org/10.17816/2072-2354.2020.20.3.157-163.

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Actuality. Nowadays, the problems of effectiveness and accessibility of dermatoprotective therapy and prevention of dermatological diseases are urgent. The complex use of metronidazole in combination with drugs of other pharmacological groups is particularly relevant and promising. The dosage form consisting of 0.1 g of Itraconazole, 0.1 g of metronidazole and Tizol gel up to 10 g, termed by us Metroitraconazole, can be used in dermatology, ophthalmology and gynecology as a bactericidal and antifungal agent. The aim of the study is to develop the method for the quantitative spectrophotometric determination of metronidazole and itraconazole in a soft dosage form on a titanium-containing base. Materials and methods. For the analysis, we used substances, ethanol solutions of Metronidazole and Itraconazole, an ointment with the conditional name Metroitraconazole, containing 1.0% of the preparations in the Tizol gel. The study was carried out by spectrophotometry in the ultraviolet region, using spectrophotometer SF-2000 (Russia). Results. The study of the absorption spectra and statistical processing of the finding demontstrated that spectrophotometric determination of Itraconazole and metronidazole demanded the wavelengths of 262 and 312 nm, with a relative error of 1.52% and 1.67%, respectively. As a result of the analysis of the soft dosage form, it was determined that the content of metronidazole calculated with the use of Firordt method and a simplified system of equations ranged 0.0987-0.1057 g, and Itraconazole ranged 0.0925-0.1055 g. These data conformed the acceptance criteria. Conclusion. The conducted research allowed us to develop and propose a method for the quantitative determination of itraconazole and metronidazole in Metroitraconazole ointment by means of spectrophotometric method. It allowed us to determine the content of drugs in the dosage form with an error not exceeding the standard deviations.

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Magdy, Ragaa, Ahmed Hemdan, Nermine Victor Fares, and Maha Farouk. "Simultaneous spectrophotometric determination of drugs lacking peak maxima in their zero-order profiles by graphical or statistical representation of data." European Journal of Chemistry 9, no. 3 (September 30, 2018): 194–201. http://dx.doi.org/10.5155/eurjchem.9.3.194-201.1727.

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Trandolapril has no sharp peak in its zero-order spectrum, therefore it is difficult to be measured by direct spectrophotometry. In this study, direct univariate spectrophotometric methods were developed and validated for determination of Trandolapril and Verapamil combination in pure and tablet dosage forms. The first method for measuring both Trandolapril and Verapamil is Absorbance Subtraction (AS), this method depends on the presence of iso-absorptive point in the zero-order curve at 217 nm. It has the advantage of measuring the concentration of both Trandolapril and Verapamil from unified regression equation at the iso-absorptive point. The second, third and fourth methods were applied on the first order spectra of the studied drugs. Second method is Derivative Subtraction (DS) for Trandolapril and Derivative subtraction followed by spectrum subtraction (DS-SS) for Verapamil. The third and fourth methods are constant value and concentration value methods. In the concentration value method, the concentration of the drugs is determined from the graphical representation without the use of regression equations. All the developed methods were validated as per International Conference on Harmonization guidelines and the results proved that the developed methods are simple, accurate, and selective. Moreover, a statistical comparison between the developed methods and a reference method was done. Also, One-way ANOVA statistical test was done between all the proposed spectrophoto-metric methods and results showed no significant differences.

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Ani, Okwuchukwu, Adaeze Ani, and Jeremiah Chukwuneke. "Spectrophotometric Data in Human Immunodeficiency Virus (HIV)-Antiretroviral Drug Coated Blood Interactions." Journal of Biosciences and Medicines 03, no. 08 (2015): 44–52. http://dx.doi.org/10.4236/jbm.2015.38005.

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López-de-Alba, P. L., L. López-Martínez, K. Wróbel-Kaczmarczyk, K. Wróbel-Zasada, and J. Amador-Hernández. "The Resolution of Dye Binary Mixtures by Bivariate Calibration Using Spectrophotometric Data." Analytical Letters 29, no. 3 (February 1996): 487–503. http://dx.doi.org/10.1080/00032719608000413.

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45

Citores, M. J., R. M. Alonso, and L. A. Fernández. "A program for the graphical evaluation of pKa values from spectrophotometric data." TrAC Trends in Analytical Chemistry 11, no. 9 (October 1992): 310–14. http://dx.doi.org/10.1016/0165-9936(92)80061-a.

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46

Dutta, Rajdeep, Siyu Isaac Parker Tian, Zhe Liu, Madhavkrishnan Lakshminarayanan, Selvaraj Venkataraj, Yuanhang Cheng, Daniil Bash, Vijila Chellappan, Tonio Buonassisi, and Senthilnath Jayavelu. "Extracting film thickness and optical constants from spectrophotometric data by evolutionary optimization." PLOS ONE 17, no. 11 (November 30, 2022): e0276555. http://dx.doi.org/10.1371/journal.pone.0276555.

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In this paper, we propose a simple and elegant method to extract the thickness and the optical constants of various films from the reflectance and transmittance spectra in the wavelength range of 350 − 1000 nm. The underlying inverse problem is posed here as an optimization problem. To find unique solutions to this problem, we adopt an evolutionary optimization approach that drives a population of candidate solutions towards the global optimum. An ensemble of Tauc-Lorentz Oscillators (TLOs) and an ensemble of Gaussian Oscillators (GOs), are leveraged to compute the reflectance and transmittance spectra for different candidate thickness values and refractive index profiles. This model-based optimization is solved using two efficient evolutionary algorithms (EAs), namely genetic algorithm (GA) and covariance matrix adaptation evolution strategy (CMAES), such that the resulting spectra simultaneously fit all the given data points in the admissible wavelength range. Numerical results validate the effectiveness of the proposed approach in estimating the optical parameters of interest.

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47

Chebotarev, Alexandr N., Denys V. Snigur, and Kateryna V. Bevziuk. "STUDY OF PROTOLYTIC EQUILIBRIA IN SOLUTIONS OF HYDROXYANTHRAQUINONE DYES BY CHEMICAL CHROMATICITY METHOD." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENIY KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 60, no. 3 (April 13, 2017): 22. http://dx.doi.org/10.6060/tcct.2017603.5418.

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In this paper, the acid-base properties of hydroxyanthraquinone dyes-alizarin, alizarin red S and alizarin-complexone- were studied in aqueous solutions by chemical chromaticity and spectrophotometry methods. The advantages of chemical chromaticity method over UV-VIS spectrophotometry method were shown in the protolytic equilibria study in dyes solutions. The chemical chromaticity method, unlike spectrophotometry, can determine the deprotonation constant of sulfo group of alizarin red S. Using the chromaticity functions data it is possible to determine all ionization constant of these hydroxyanthraquinone dyes. The overlay of tautomeric equilibria on alizarin-complexone ionization process does not interfere for pK determination of their functional groups by the chemical chromaticity method. A quantitative color description of objects of different nature by calculating their color coordinates by spectrophotometric data allows distinguishing spectrally similar substances and obtaining new data on them. Using the values of chromaticity functions of ion-molecule forms of the hydroxyanthraquinone dyes as an analytical signal allows to get a complete picture of the existing acid-base equilibria in a wide range of medium acidity. A probable acid-base equilibria schemes were theoretically determined for alizarin, alizarin red S and alizarin-complexone using CNDO calculations. The diagrams of the ion-molecular forms distribution of hydroxyanthraquinone were built.For citation:Chebotarev A.N., Snigur D.V., Bevziuk K.V. Study of protolytic equilibria in solutions of hydroxyanthraquinone dyes by chemical chromaticity method. Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol. 2017. V. 60. N 3. P. 22-28.

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Mints, Alexey, and Saskia Hekker. "Isochrone fitting in the Gaia era." Astronomy & Astrophysics 618 (October 2018): A54. http://dx.doi.org/10.1051/0004-6361/201832739.

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Context. Currently, galactic exploration is being revolutionized by a flow of new data: Gaia provides measurements of stellar distances and kinematics; growing numbers of spectroscopic surveys provide values of stellar atmospheric parameters and abundances of elements; and Kepler and K2 missions provide asteroseismic information for an increasing number of stars. Aims. In this work, we aim to determine stellar distances and ages using Gaia and spectrophotometric data in a consistent way. We estimate precisions of age and distance determinations with Gaia end-of-mission (EoM) and Tycho-Gaia astrometric solution (TGAS) parallax precisions. Methods. To this end, we incorporated parallax and extinction data into the isochrone fitting method used in the Unified tool to estimate Distances, Ages, and Masses (UniDAM). We prepared datasets that allowed us to study the improvement of distance and age estimates with the inclusion of TGAS and Gaia EoM parallax precisions in isochrone fitting. Results. Using TGAS parallaxes in isochrone fitting, we are able to reduce distance and age estimate uncertainties for TGAS stars for distances up to 1 kpc by more than one third compared to results based only on spectrophotometric data. With Gaia EoM parallaxes in isochrone fitting, we will be able to further decrease our distance uncertainties by about a factor of 20 and age uncertainties by a factor of 2 for stars up to 10 kpc away from the Sun. Conclusions. We demonstrate that we will be able to improve our distance estimates for about one third of stars in spectroscopic surveys and to decrease log(age) uncertainties by about a factor of two for over 80% of stars as compared to the uncertainties obtained without parallax priors using Gaia EoM parallaxes consistently with spectrophotometry in isochrone fitting.

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Méthy, M. "Simple Software for Easy Management of Reflectance Spectroscopy Data of Leaves." Journal of Near Infrared Spectroscopy 5, no. 3 (June 1997): 175–78. http://dx.doi.org/10.1255/jnirs.111.

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The arrangement of data in the output file of some equipment needs to be modified to allow a further processing of the results. Taking as an example the spectrophotometric data of a near infrared system, simple software has been developed to convert the horizontal setting of the data into a vertical setting. The purpose of this software is also to provide a simultaneous graphical display of individual or mean optical properties of 1–40 leaves. Emphasis is laid on its interest, particularly when no suitable software environment is available.

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Wahauwouele Hermann, Coulibaly, Bouatenin Koffi Maizan Jean-Paul, Kouame Kohi Alfred, Amoikon Tiemele Laurent Simon, Sanogo Yahya Maimouna, and Akissi Dogbo Marius. "TECHNICAL SHEET OF COMPARATIVE STUDY OF TWO TECHNIQUES CONTROL OF DNA FROM YEAST ISOLATES PRODUCING PECTINASE." International Journal of Advanced Research 8, no. 9 (September 30, 2020): 979–83. http://dx.doi.org/10.21474/ijar01/11751.

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Polymerase Chain Reaction (PCR) is a widely used technique in the field of molecular biology to rapidly make very large number of copies of a specific DNA sample for detailed studies. The success of the technique however is dependent on the on the quality, i.e purity of the extracted DNA specimen. The aim of this study was to evaluate the quality of extracted DNA from pectinase producing yeast to determine the suitability of the extraction method to produce pure extract without non-inhibiting substances.In this study, DNA extracts from six (06) isolates of pectinase-producing yeasts were quantitatively and qualitatively analyzed using NanoDrop spectrophotometry and agarose gel electrophoresis methods. These analyses showed that the concentration of DNA extracts from the isolates evaluated by the NanoDrop spectrophotometric method ranged from 403.8 to 1082.4 ng/µL and the purity index A 260/280 was between 2.03 and 2.11. In sum, agarose gel electrophoresis showed that the intensity of the DNA bands was irregular and not necessarily in line with the data provided by the NanoDrop spectrophotometry.

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