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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy

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https://www.readbyqxmd.com/read/28734996/the-design-of-novel-visible-light-driven-ag-cdo-as-smart-nanocomposite-for-photodegradation-of-different-dye-contaminants
#1
K Saravanakumar, V Muthuraj, M Jeyaraj
In this paper, we report a novel visible light driven Ag/CdO photocatalyst, fabricated for the first time via one pot hydrothermal method and further applied for the photodegradation of two important exemplar water contaminants, Malachite green and Acid Orange 7. The microstructure, composition and optical properties of Ag/CdO nanocomposites were thoroughly investigated by various techniques. Scanning electron microscopy clearly shows that Ag NPs were strongly embedded between the CdO nanoparticles. Among the series of synthesized Ag/CdO nanocomposites, (5%) Ag/CdO nanocomposite possesses enhanced photocatalytic activity...
July 17, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28734165/rhodamine-spirolactam-sensors-operated-by-sulfur-cooperated-metal-complexation
#2
Gisuk Heo, Dahye Lee, Chi Gwan Kim, Jung Yun Do
New rhodamine Schiff base sensors were developed to improve selective sensing by introducing sulfide, ester, and dithiocarbonate groups, as well as using ketones coupled to rhodamine-hydrazine. Metal sensing proceeded through the 1:1 complexation of the metal ion for most sensors in the presence of Cu(2+) and Hg(2+). A sensor carrying a dithiocarbonate group responded selectively to Hg(2+) showing a strong colorimetric change and intense fluorescence. The association constants of the sensors were determined from a linear plot performed at micro-molar concentrations to afford values in the range of 10(4)...
July 15, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28732285/infrared-dispersion-analysis-and-raman-scattering-spectra-of-taurine-single-crystals
#3
Roberto L Moreira, Ricardo P S M Lobo, Anderson Dias
A comprehensive set of optical vibrational modes of monoclinic taurine crystals was determined by Raman scattering, and infrared reflectivity and transmission spectroscopies. By using appropriate scattering/reflection geometries, the vibrational modes were resolved by polarization and the most relevant modes of the crystal could be assigned. In particular, we were able to review the symmetry of the gerade modes and to resolve ambiguities in the literature. Owing to the non-orthogonal character of Bu modes in monoclinic crystals (lying on the optic axial plane), we carried out a generalized Lorentz dispersion analysis consisting of simultaneous adjust of infrared-reflectivity spectra at various light polarization angles...
July 14, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28732284/field-free-molecular-orientation-by-delayed-elliptically-polarised-laser%C3%A2-pulses
#4
Anjali Maan, Ashish Tyagi, Vinod Prasad
A theoretical model of NAREX (non-adiabatic rotational excitation) and field-free molecular orientation by a short specific elliptically polarised laser pulses (EPLPs) driving a polar molecule is presented. By choosing the proper value of elliptically polarised field parameters, efficient field-free orientation could be achieved. It is demonstrated that NAREX can be controlled by various laser parameters, out of which pulse shape plays the most significant role. The effect of elliptic parameter on the rotational excitation and orientation dynamics is also under concern...
July 13, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28732283/deciphering-the-mechanism-of-interaction-of-edifenphos-with-calf-thymus-dna
#5
Ajaz Ahmad, Masood Ahmad
Edifenphos is an important organophosphate pesticide with many antifungal and anti-insecticidal properties but it may cause potential hazards to human health. In this work, we have tried to explore the binding mode of action and mechanism of edifenphos to calf thymus DNA (CT-DNA). Several experiments such as ultraviolet-visible absorption spectra and emission spectroscopy showed complex formation between edifenphos and CT-DNA and low binding constant values supporting groove binding mode. These results were further confirmed by circular dichroism (CD), CT-DNA melting studies, viscosity measurements, density functional theory and molecular docking...
July 13, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28728100/photophysics-of-a-coumarin-based-schiff-base-in-solvents-of-varying-polarities
#6
Saptarshi Ghosh, Nayan Roy, T Sanjoy Singh, Nitin Chattopadhyay
The present work reports detailed photophysics of a coumarin based Schiff base, namely, (E)-7-(((8-hydroxyquinolin-2-yl)methylene)amino)-4-methyl-2H-chromen-2-one (HMC) in different solvents of varying polarity exploiting steady state absorption, fluorescence and time resolved fluorescence spectroscopy. The dominant photophysical features of HMC are discussed in terms of emission from an intramolecular charge transfer (ICT) excited state. Molecular orbital (MO) diagrams as obtained from DFT based computational analysis confirms the occurrence of charge transfer from 8'-hydroxy quinoline moiety of the molecule to the coumarin part...
July 13, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28715687/highly-selective-and-sensitive-fluorogenic-ferric-probes-based-on-aggregation-enhanced-emission-with-sime3-substituted-polybenzene
#7
Xuefeng Wang, Hua Wang, Qin Jiang, Yong-Ill Lee, Shengyu Feng, Hong-Guo Liu
In this study, thiophene was linked to polybenzene to generate novel fluorescent probes, namely 3,4-diphenyl-2,5-di(2-thienyl)phenyl-trimethylsilane (DPTB-TMS) with a -SiMe3 substituent and 3,4-diphenyl-2,5-di(2-thienyl)phenyl (DPTB) without the -SiMe3 substituent, respectively. Both of the two compounds exhibit aggregation-enhanced emission (AEE) properties in tetrahydrofuran/water mixtures due to restricted intramolecular rotation of the peripheral groups, which make the two compounds good candidates for the detection of Fe(3+) ions in aqueous-based solutions...
July 13, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28723592/effects-of-near-infrared-radiation-on-dna-dls-and-atr-ftir-study
#8
Katarzyna Szymborska-Małek, Małgorzata Komorowska, Marlena Gąsior-Głogowska
We presume that the primary effect of Near Infrared (NIR) radiation on aqueous solutions of biological molecules concerns modification of hydrogen bonded structures mainly the global and the hydration shell water molecules. Since water has a significant influence on the DNA structure, we expect that the thermal stability of DNA could be modified by NIR radiation. The herring sperm DNA was exposed to NIR radiation (700-1100nm) for 5, 10, and 20min periods. The temperature dependent infrared measurements were done for the thin films formed on the diamond ATR crystal from evaporated DNA solutions exposed and unexposed to NIR radiation...
July 12, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28715692/propping-the-optical-and-electronic-properties-of-potential-photo-sensitizers-with-different-%C3%AF-spacers-td-dft-insights
#9
Basant A Ali, Nageh K Allam
We report density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations on the widely used N3 dye (cis-[Ru(2,2'-bipyridine-4,4'-dicarboxylic acid)2(NCS)2] and its trans isomer with different π-spacers. The study compared the sensitization properties of the two isomers in terms of their electronic properties such as light harvesting efficiency (LHE), absorbed wavelength (λMax) and molecular orbital distribution. Also, charge transfer descriptors, such as the charge transfer distance (D(CT)), dipole moment (μ(CT)), and the amount of charge transferred (q(CT)) were investigated...
July 12, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28715690/a-dft-study-on-surface-enhanced-raman-spectroscopy-of-aromatic-dithiol-derivatives-adsorbed-on-gold-nanojunctions
#10
Tingting You, Xiufeng Lang, Anping Huang, Penggang Yin
A computational study on aromatic dithiol derivatives (HS-Ar-X-Ar-SH, X=O, S, Se, NH, CH2, NN, CHCH, CC) interacting with gold cluster(s) was presented to investigate the chemical enhancement mechanism related to surface-enhanced Raman spectroscopy (SERS) for molecular junctions. Density functional theory (DFT) were performed on derivatives molecules as well as their single-end-linked (SEL) or double-end-linked (DEL) complexes for geometric, spectra, electronic and excitation properties, leading to discussions on dominant factor during SERS process...
July 12, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28711781/the-nature-of-hydrogen-bonding-interactions-in-nonsteroidal-anti-inflammatory-drugs-revealed-by-polarized-ir-spectroscopy
#11
Barbara Hachuła
The influence of hydrogen-bonding interactions in the solid phase on the IR spectroscopic pattern of the νOH band of nonsteroidal anti-inflammatory drugs (NSAIDs) was studied experimentally by IR spectroscopy with the use of polarized light at two temperatures (293K and 77K) and in isotopic dilution. The neat and deuterated crystals of (S)-naproxen ((S)-NPX), (R)-flurbiprofen ((R)-FBP), (RS)-flurbiprofen ((RS)-FBP) and (RS)-ketoprofen ((RS)-KTP) were obtained by melt crystallization between the two squeezed CaF2 plates...
July 9, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28715688/colorimetric-and-fluorescent-detection-of-hydrazine-with-high-sensitivity-and-excellent-selectivity
#12
Bingjie Shi, Sujie Qi, Mingming Yu, Chunxia Liu, Zhanxian Li, Liuhe Wei, Zhonghai Ni
It is critical to develop probes for rapid, selective, and sensitive detection of the highly toxic hydrazine in both environmental and biological science. In this work, under mild condition, a novel colorimetric and off-on fluorescent probe was synthesized for rapid recognition of hydrazine with excellent selectivity over other various species including some biological species, metal ions and anions. The limit of quantification (LOQ) value was 1.5×10(-4)M-3.2×10(-3)M (colorimetric method) and 1.5×10(-4)M-3...
July 8, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28709141/pt-ag-and-pd-ag-core-shell-nanoparticles-for-catalytic-degradation-of-congo-red-in-aqueous-solution
#13
Mohamed A Salem, Eman A Bakr, Heba G El-Attar
Platinum/silver (Pt@Ag) and palladium/silver (Pd@Ag) core/shell NPs have been synthesized in two steps reaction using the citrate method. The progress of nanoparticle formation was followed by the UV/Vis spectroscopy. Transmission electron microscopy revealed spherical shaped core/shell nanoparticles with average particle diameter 32.17nm for Pt@Ag and 8.8nm for Pd@Ag. The core/shell NPs were further characterized by FT-IR and XRD. Reductive degradation of the Congo red dye was chosen to demonstrate the excellent catalytic activity of these core/shell nanostructures...
July 6, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28709139/the-raman-and-sers-spectra-of-indigo-and-indigo-ag2-complex-dft-calculation-and-comparison-with-experiment
#14
Marilena Ricci, Cristiana Lofrumento, Maurizio Becucci, Emilio M Castellucci
Using time-dependent density functional theory in conjunction with B3LYP functional and LANL2DZ/6-31+g(d,p) basis sets, static and pre-resonance Raman spectra of the indigo-Ag2 complex have been calculated. Structure optimization, excitation energies and pre-resonance Raman spectra of the indigo molecule have been obtained at the same level of theory. The available experimental Raman spectra at 1064, 785 and 514nm and the SERS spectra at 785 and 514nm have been well reproduced by the calculation. Experimental SERS spectra are confronted with the calculated pre-resonance Raman spectra obtained for the indigo-Ag2 complex...
July 6, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28709140/spectroelectrochemical-insights-into-structural-and-redox-properties-of-immobilized-endonuclease-iii-and-its-catalytically-inactive-mutant
#15
Elin Moe, Filipe Rollo, Célia M Silveira, Murat Sezer, Peter Hildebrandt, Smilja Todorovic
Endonuclease III is a Fe-S containing bifunctional DNA glycosylase which is involved in the repair of oxidation damaged DNA. Here we employ surface enhanced IR spectroelectrochemistry and electrochemistry to study the enzyme from the highly radiation- and desiccation-resistant bacterium Deinococcus radiodurans (DrEndoIII2). The experiments are designed to shed more light onto specific parameters that are currently proposed to govern damage search and recognition by endonucleases III. We demonstrate that electrostatic interactions required for the redox activation of DrEndoIII2 may result in high electric fields that alter its structural and thermodynamic properties...
July 5, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28709138/multimodal-nonlinear-microscope-based-on-a-compact-fiber-format-laser-source
#16
Francesco Crisafi, Vikas Kumar, Antonio Perri, Marco Marangoni, Giulio Cerullo, Dario Polli
We present a multimodal non-linear optical (NLO) laser-scanning microscope, based on a compact fiber-format excitation laser and integrating coherent anti-Stokes Raman scattering (CARS), stimulated Raman scattering (SRS) and two-photon-excitation fluorescence (TPEF) on a single platform. We demonstrate its capabilities in simultaneously acquiring CARS and SRS images of a blend of 6-μm poly(methyl methacrylate) beads and 3-μm polystyrene beads. We then apply it to visualize cell walls and chloroplast of an unprocessed fresh leaf of Elodea aquatic plant via SRS and TPEF modalities, respectively...
July 5, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28709137/some-observations-on-the-greenhouse-effect-at-the-earth-s-surface
#17
J W Akitt
It is shown that the greenhouse gases carbon dioxide and water vapour reflect back to the surface, all IR radiation originating at the surface within their respective spectral bands. This reflection occurs in a very thin layer at the surface, not much over 12cm in thickness. Heat is lost from the surface by heat exchange with the atmosphere and by loss of radiation. About 52% of radiation leaves the surface in two principal window regions but this is not enough to account for the earth's equilibrium temperature...
July 5, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28704804/influence-of-spectral-resolution-spectral-range-and-signal-to-noise-ratio-of-fourier-transform-infra-red-spectra-on-identification-of-high-explosive-substances
#18
Krzysztof Banas, Agnieszka M Banas, Sascha P Heussler, Mark B H Breese
In the contemporary spectroscopy there is a trend to record spectra with the highest possible spectral resolution. This is clearly justified if the spectral features in the spectrum are very narrow (for example infra-red spectra of gas samples). However there is a plethora of samples (in the liquid and especially in the solid form) where there is a natural spectral peak broadening due to collisions and proximity predominately. Additionally there is a number of portable devices (spectrometers) with inherently restricted spectral resolution, spectral range or both, which are extremely useful in some field applications (archaeology, agriculture, food industry, cultural heritage, forensic science)...
July 5, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28689079/different-molecular-organization-of-two-carotenoids-lutein-and-zeaxanthin-in-human-colon-epithelial-cells-and-colon-adenocarcinoma-cells
#19
Wojciech Grudzinski, Mateusz Piet, Rafal Luchowski, Emilia Reszczynska, Renata Welc, Roman Paduch, Wieslaw I Gruszecki
Two cell lines, human normal colon epithelial cells (CCD 841 CoTr) and human colon adenocarcinoma cells (HT-29) were cultured in the presence of exogenous carotenoids, either zeaxanthin or lutein. Both carotenoids demonstrated cytotoxicity with respect to cancer cells but not to normal cells. Cells from both the cell lines were analyzed with application of fluorescence lifetime imaging microscopy and Raman scattering microscopy. Both imaging techniques show effective incorporation of carotenoid molecules into growing cells...
July 5, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28689078/selective-biosensing-of-staphylococcus-aureus-using-chitosan-quantum-dots
#20
Hani Nasser Abdelhamid, Hui-Fen Wu
Selective biosensing of Staphylococcus aureus (S. aureus) using chitosan modified quantum dots (CTS@CdS QDs) in the presence of hydrogen peroxide is reported. The method is based on the intrinsic positive catalase activity of S. aureus. CTS@CdS quantum dots provide high dispersion in aqueous media with high fluorescence emission. Staphylococcus aureus causes a selective quenching of the fluorescence emission of CTS@CdS QDs in the presence of H2O2 compared to other pathogens such as Escherichia coli and Pseudomonas aeruginosa...
July 5, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
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