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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy

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https://www.readbyqxmd.com/read/28214678/corrigendum-to-laser-induced-optical-breakdown-spectroscopy-of-polymer-materials-based-on-evaluation-of-molecular-emission-bands-spectrochim-acta-a-mol-biomol-spectrosc-174-2017-331-338
#1
Stefan Trautner, Juraj Jasik, Christian G Parigger, Johannes D Pedarnig, Wolfgang Spendelhofer, Johannes Lackner, Pavel Veis, Johannes Heitz
No abstract text is available yet for this article.
February 16, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28213142/extraction-preparation-and-application-of-pigments-from-cordyline-fruticosa-and-hylocereus-polyrhizus-as-sensitizers-for-dye-sensitized-solar-cells
#2
Mahmoud A M Al-Alwani, Norasikin A Ludin, Abu Bakar Mohamad, Abd Amir H Kadhum, Kamaruzzaman Sopian
Current study employs mixture of chlorophyll-anthocyanin dye extracted from leaves of Cordyline fruticosa as new sensitizers for dye-sensitized solar cell (DSSCs), as well as betalains dye obtained from fruit of Hylocereus polyrhizus. Among ten pigments solvents, the ethanol and methanol extracts revealed higher absorption spectra of pigments extracted from C. fruticosa and H. polyrhizus respectively. A major effect of temperature increase was studied to increase the extraction yield. The results indicated that extraction temperature between 70 and 80°C exhibited a high dye concentration of each plant than other temperatures...
February 14, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28214676/chiral-aminoquinoline-based-fluorescent-ph-probe-with-large-stokes-shift-for-bioimaging
#3
Yong-Sheng Xie, Xin-Ling Zhang, Kun Xie, Yanmei Zhao, Huan Wu, Jidong Yang
The aminoquinoline derivatives, (R)- and (S)-2-phenyl-2-(quinolin-6-ylamino)ethan-1-ol (R-PEO and S-PEO), were synthesized by a tandem one-pot three-step CN coupling method where Smiles rearrangement was the key procedure. The selected compound R-PEO showed a significant fluorescence enhancement with a turn-on ratio over 98-fold and enabled the real time determination of proton concentration in acidic solution. The fluorescence intensity of R-PEO exhibited strong pH-dependent performance with a large Stokes shift (115nm) and responded linearly to minor pH change within the range of 3...
February 12, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28213139/antimycobacterial-antimicrobial-activity-experimental-ft-ir-ft-raman-nmr-uv-vis-dsc-and-dft-transition-state-chemical-reactivity-nbo-nlo
#4
Poonam Rawat, R N Singh, Alok Ranjan, Sartaj Ahmad, Rajat Saxena
As part of a study of pyrrole hydrazone, we have investigated quantum chemical calculations, molecular geometry, relative energy, vibrational properties and antimycobacterial/antimicrobial activity of pyrrole-2-carboxaldehyde isonicotinyl hydrazone (PCINH), by applying the density functional theory (DFT) and Hartree Fock (HF). Good reproduction of experimental values is obtained and with small percentage error in majority of the cases in comparison to theoretical result (DFT). The experimental FT-IR and Raman wavenumbers were compared with the respective theoretical values obtained from DFT calculations and found to agree well...
February 11, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28214677/photo-degradation-of-basic-green-1-and-basic-red-46-dyes-in-their-binary-solution-by-la2o3-al2o3nanocomposite-using-first-order-derivative-spectra-and-experimental-design-methodology
#5
Bahareh Fahimirad, Alireza Asghari, Maryam Rajabi
In this work, the lanthanum oxide-aluminum oxide (La2O3-Al2O3) nanocomposite is introduced as an efficient photocatalyst for the photo-degradation of the dyes basic green 1 (BG1) and basic red 46 (BR46) in their binary aqueous solution under the UV light irradiation. The properties of this catalyst are determined by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), Brunauer-Emmett-Teller (BET), and UV-visible spectrophotometry. The first-order derivative spectra are used for the simultaneous analysis of the dyes in their binary solution...
February 10, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28214427/intense-2-7%C3%AE-m-emission-in-er-3-doped-zinc-fluoride-glass
#6
Feifei Huang, Yanyan Guo, Ying Tian, Shiqing Xu, Junjie Zhang
A novel erbium ion doped zinc fluoride glass was prepared. 2.7μm emission and transmittance properties together with thermal ability were investigated. An enhanced 2.7μm emission was observed by introducing ZnF2 in the ZrF4-based fluoride glass. Meanwhile, the J-O parameters and branching ratios (β) of Er(3+)-doped zinc fluoride glass were calculated and analyzed. The present Er(3+)-doped zinc fluoride glass with large emission cross-section (0.92×10(-20)cm(2)) and long decay lifetime (2.05ms) at 2.7μm indicates that it have very promising applications for solid state lasers around 3μm...
February 10, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28199929/identification-of-natural-red-and-purple-dyes-on-textiles-by-fiber-optics-reflectance-spectroscopy
#7
M A Maynez-Rojas, E Casanova-González, J L Ruvalcaba-Sil
Understanding dye chemistry and dye processes is an important issue for studies of cultural heritage collections and science conservation. Fiber Optics Reflectance Spectroscopy (FORS) is a powerful technique, which allows preliminary dye identification, causing no damage or mechanical stress on the artworks subjected to analysis. Some information related to specific light scattering and absorption can be obtained in the UV-visible and infrared range (300-1400nm) and it is possible to discriminate the kind of support fiber in the near infrared region (1000-2500nm)...
February 9, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28213143/selective-detection-of-cu-2-and-co-2-in-aqueous-media-asymmetric-chemosensors-crystal-structure-and-spectroscopic-studies
#8
Samira Gholizadeh Dogaheh, Hamid Khanmohammadi, E Carolina Sañudo
Two new azo-azomethine receptors, H2L(1) and H2L(2), containing hydrazine, naphthalene and different electron withdrawing groups, Cl and NO2, have been designed and synthesized for qualitative and quantitative detection of Cu(2+) and Co(2+) in aqueous media. The crystal structure of H2L(1)is reported. The H2L(1)was used as a chemosensor for selective detection of trace amount of Cu(2+) in aqueous media. H2L(2) was also applied to naked-eye distinction of Cu(2+) and Co(2+) from other transition metal ions in aqueous media...
February 8, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28213140/a-novel-sensor-for-determination-of-naproxen-based-on-change-in-localized-surface-plasmon-peak-of-functionalized-gold-nanoparticles
#9
Javad Khodaveisi, Ali Mohammad Haji Shabani, Shayessteh Dadfarnia, Dariush Saberi
A highly selective and sensitive colorimetric sensor for the determination of naproxen (NAP) based on the aggregation of the thiolated β-cyclodextrin (Tβ-CD) functionalized gold nanoparticles (Tβ-CD-Au NPs) in the presence of NAP and Zn(2+)is described. The hydrophobic end of NAP interacts with the immobilized Tβ-CD on the Au NPs and forms the complex of Tβ-CD:NAP while the Zn(2+) ions form a 1:2 complex of (NAP)2Zn with the carboxyl groups of NAP resulting in the aggregation of functionalized gold nanoparticles...
February 8, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28199928/spectrophotometric-determination-of-meclizine-hydrochloride-and-pyridoxine-hydrochloride-in-laboratory-prepared-mixtures-and-in-their-pharmaceutical-preparation
#10
Maha M Ibrahim, Eman S Elzanfaly, Mohamed B El-Zeiny, Nesreen K Ramadan, Khadiga M Kelani
In this paper, three rapid, simple, accurate and precise spectrophotometric methods were developed for the determination of meclizine hydrochloride in the presence of pyridoxine hydrochloride without previous separation. The methods under study are dual wavelength (DWL), ratio difference (RD) and continuous wavelet transform (CWT). On the other hand, pyridoxine hydrochloride (PYH) was determined directly at 291nm. The methods obey Beer's law in the range of (5-50μg/mL) for both compounds. All the methods were validated according to the ICH guidelines where the accuracy was found to be 98...
February 8, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28213313/structural-investigation-of-the-cocrystal-formed-between-5-fluorocytosine-and-fumaric-acid-based-on-vibrational-spectroscopic-technique
#11
Yong Du, Qiang Cai, Jiadan Xue, Qi Zhang, Dan Qin
The vibrational spectra of 5-fluorocytosine, fumaric acid and their cocrystal were measured using terahertz time-domain spectroscopy (THz-TDS) and Raman spectroscopy at room temperature. Experimental THz results show that the cocrystal has distinct fingerprint spectra in terahertz region. The absorption peaks observed in the terahertz spectra of the cocrystal were at 0.61 and 0.91THz. These are quite different from corresponding raw starting materials. Raman spectra also show similar results about differences between the cocrystal and corresponding raw starting materials...
February 7, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28199927/benzimidazole-acrylonitriles-as-multifunctional-push-pull-chromophores-spectral-characterisation-protonation-equilibria-and-nanoaggregation-in-aqueous-solutions
#12
Ema Horak, Robert Vianello, Marijana Hranjec, Svjetlana Krištafor, Grace Karminski Zamola, Ivana Murković Steinberg
Heterocyclic donor-π-acceptor molecular systems based on an N,N-dimethylamino phenylacrylonitrile benzimidazole skeleton have been characterised and are proposed for potential use in sensing applications. The benzimidazole moiety introduces a broad spectrum of useful multifunctional properties to the system including electron accepting ability, pH sensitivity and compatibility with biomolecules. The photophysical characterisation of the prototropic forms of these chromophores has been carried out in both solution and on immobilisation in polymer films...
February 7, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28189836/spectroscopic-study-of-honey-from-apis-mellifera-from-different-regions-in-mexico
#13
C Frausto-Reyes, R Casillas-Peñuelas, J L Quintanar-Stephano, E Macías-López, J M Bujdud-Pérez, I Medina-Ramírez
The objective of this study was to analyze by Raman and UV-Vis-NIR Spectroscopic techniques, Mexican honey from Apis Mellífera, using representative samples with different botanic origins (unifloral and multifloral) and diverse climates. Using Raman spectroscopy together with principal components analysis, the results obtained represent the possibility to use them for determination of floral origin of honey, independently of the region of sampling. For this, the effect of heat up the honey was analyzed in relation that it was possible to greatly reduce the fluorescence background in Raman spectra, which allowed the visualization of fructose and glucose peaks...
February 7, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28189093/a-zinc-fluorescent-sensor-used-to-detect-mercury-ii-and-hydrosulfide
#14
Jae Min Jung, Jae Jun Lee, Eunju Nam, Mi Hee Lim, Cheal Kim, Roger G Harrison
A zinc sensor based on quinoline and morpholine has been synthesized. The sensor selectively fluoresces in the presence of Zn(2+), while not for other metal ions. Absorbance changes in the 350nm region are observed when Zn(2+) binds, which binds in a 1:1 ratio. The sensor fluoresces due to Zn(2+) above pH values of 6.0 and in the biological important region. The Zn(2+)-sensor complex has the unique ability to detect both Hg(2+) and HS(-). The fluorescence of the Zn(2+)-sensor complex is quenched when it is exposed to aqueous solutions of Hg(2+) with sub-micromolar detection levels for Hg(2+)...
February 7, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28213141/thermostability-of-photosystem-i-trimers-and-monomers-from-the-cyanobacterium-thermosynechococcus-elongatus
#15
Vladimir V Shubin, Irina V Terekhova, Yulia V Bolychevtseva, Eithar El-Mohsnawy, Matthias Rögner, Werner Mäntele, Marta J Kopczak, Enela Džafić
The performance of solar energy conversion into alternative energy sources in artificial systems highly depends on the thermostability of photosystem I (PSI) complexes Terasaki et al. (2007), Iwuchukwu et al. (2010), Kothe et al. (2013) . To assess the thermostability of PSI complexes from the thermophilic cyanobacterium Thermosynechococcus elongatus heating induced perturbations on the level of secondary structure of the proteins were studied. Changes were monitored by Fourier transform infrared (FT-IR) spectra in the mid-IR region upon slow heating (1°C per minute) of samples in D2O phosphate buffer (pD 7...
February 6, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28214428/metal-metal-bond-excitation-in-colloidal-solution-of-nbs3
#16
Sofya B Artemkina, Ekaterina D Grayfer, Mariia N Kozlova, Svetlana G Kozlova, Maxim R Ryzhikov, Igor R Shein, Vladimir E Fedorov
For the first time the comparison of the theoretical and experimental data have shown that UV-vis absorption in the region of 600nm in colloidal solution of NbS3 can be described by the d-d electronic transitions to the antibonding molecular orbital. It is proved that the process leads to excitation of metal-metal bond.
February 5, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28189835/a-new-isoindoline-based-highly-selective-turn-on-fluorescent-chemodosimeter-for-detection-of-mercury-ion
#17
Hassan Zali-Boeini, Mohammad Zareh Jonaghani, Negar Fadaei, Hadi Amiri Rudbari
A new isoindoline-based highly efficient turn-on fluorescent chemodosimeter S with a thioamide functionality as a binding site for selective detection of Hg(2+) ion has been developed. The chemodosimeter S showed an extreme selectivity for detection of Hg(2+) ion among various two and three-valent metal ions in acetonitrile/water (70/30, v/v). It was found that, in the presence of Hg(2+) ion the non-fluorescent chemodosimeter S was efficiently and rapidly desulfurized to the corresponding highly fluorescent amide 1...
February 4, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28187315/reaction-of-tetracycline-with-biologically-relevant-chloramines
#18
J Benavides, P Barrias, N Piro, A Arenas, A Orrego, E Pino, L Villegas, E Dorta, A Aspée, C López-Alarcón
Helicobacter pylori (H. pylori) infection triggers inflammatory processes with the consequent production of hypochlorous acid (HOCl), monochloramine (NH2Cl), and protein-derived chloramines. As the therapy for eradicating H. pylori is partially based on the use of tetracycline, we studied the kinetic of its consumption elicited by HOCl, NH2Cl, N-chloro-n-butylamine (NHCl-But, used as a lysine-derived chloramine model), and lysozyme-derived chloramines. In the micromolar concentration range, tetracycline reacted rapidly with HOCl, generating in the first few seconds intermediates of short half-life...
February 4, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28199926/molecular-interactions-in-ethyl-acetate-chlorobenzene-binary-solution-dielectric-spectroscopic-studies-and-quantum-chemical-calculations
#19
N K Karthick, A C Kumbharkhane, Y S Joshi, A Mahendraprabu, R Shanmugam, A Elangovan, G Arivazhagan
Dielectric studies using Time Domain Reflectometry method has been carried out on the binary solution of Ethyl acetate (EA) with Chlorobenzene (CBZ) over the entire composition range. Spectroscopic (FTIR and (13)C NMR) signatures of neat EA, CBZ and their equimolar binary solution have also been recorded. The results of the spectroscopic studies favour the presence of (CBZ) CH⋯OC (EA), (EA) methylene CH⋯π electrons (CBZ) and (EA) methyl CH⋯Cl (CBZ) contacts which have been validated using quantum chemical calculations...
February 3, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28187317/reagent-free-simultaneous-determination-of-glucose-and-cholesterol-in-whole-blood-by-ftir-atr
#20
Zhigang Li, Hong Lv, Tianhe Li, Guangyuan Si, Qiaoyun Wang, Jiangtao Lv, Xiaofei Hu
Reagent-free determination of multiple analytes is an active and promising field of research in clinical analysis. In this work, the determination of glucose and cholesterol in whole blood using Fourier transform infrared (FTIR) spectroscopy equipped with an attenuated total reflectance (ATR) accessory was performed. A comprehensive sample selection rule in multi space based on SPXY was proposed, termed C-SPXY. The core idea is to make full use of different derivative spectra space to construct the calibration set which preserves the more effective information...
February 3, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
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