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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy

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https://www.readbyqxmd.com/read/28092827/conjugated-polymer-with-carboxylate-groups-hg-2-system-as-a-turn-on-fluorescence-probe-for-label-free-detection-of-cysteine-containing-compounds
#1
Hongyu Mi, Mingming Guan, Jilin Liu, Hongyan Shan, Qiang Fei, Yanfu Huan, Guodong Feng
In this work, a turn on fluorescent sensor, based on Hg(2+) coordination conjugated polymer, was developed to detect cysteine-containing compounds. The fluorescence of conjugated polymer (poly(2,5-bis (sodium 4-oxybutyrate) -1,4 - phenylethynylene-alt-1,4-phenyleneethynylene; PPE-OBS) would be quenched by Hg(2+) because of the coordination-induced aggregation and electron transfers of PPE-OBS toward Hg(2+). When there were some cysteine-containing compounds in PPE-OBS-Hg(2+) system, the fluorescence of PPE-OBS would be recovered...
January 13, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28095360/enzyme-catalyzed-michael-addition-for-the-synthesis-of-warfarin-and-its-determination-via-fluorescence-quenching-of-l-tryptophan
#2
Yusheng Yuan, Liu Yang, Shaopu Liu, Jidong Yang, Hui Zhang, Jingjing Yan, Xiaoli Hu
A sensitive fluorescence sensor for warfarin was proposed via quenching the fluorescence of l-tryptophan due to the interaction between warfarin and l-tryptophan. Warfarin, as one of the most effective anticoagulants, was designed and synthesized via lipase from porcine pancreas (PPL) as a biocatalyst to catalyze the Michael addition of 4-hydroxycoumarin to α, β-unsaturated enones in organic medium in the presence of water. Furthermore, the spectrofluorometry was used to detect the concentration of warfarin with a linear range and detection limit (3σ/k) of 0...
January 9, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28092826/synthesis-ph-dependent-photometric-and-electrochemical-investigation-redox-mechanism-and-biological-applications-of-novel-schiff-base-and-its-metallic-derivatives
#3
Abdur Rauf, Afzal Shah, Abdul Aziz Khan, Aamir Hassan Shah, Rashda Abbasi, Irfan Zia Qureshi, Saqib Ali
A novel Schiff base, 1-((2, 4-dimethylphenylimino)methyl)naphthalen-2-ol abbreviated as (HL) and its four metallic complexes were synthesized and confirmed by (1)H and (13)C NMR, FTIR, TGA and UV-Visible spectroscopy. Schiff base was also characterized by X-ray analysis. The photometric and electrochemical responses of all the synthesized compounds were investigated in a wide pH range. Structures of the compounds were optimized computationally for the evaluation of different physico-chemical parameters. On the basis of electrochemical results the redox mechanistic pathways of the compounds were proposed...
January 9, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28092824/chemically-modified-amino-porphyrin-tio2-for-the-degradation-of-acid-black-1-under-day-light-illumination
#4
Balu Krishnakumar, Avula Balakrishna, Cláudia T Arranja, Carlos M F Dias, Abilio J F N Sobral
In this paper, for the first time, chemically modified 5,10,15,20-meso-tetra-(para-amino)-phenyl-porphyrin/TiO2 (TPAPP/TiO2) was prepared and used for the degradation of an azo dye Acid Black 1 (AB 1) under direct sunlight. Initially, TiO2 was prepared by sol-gel method. Before making a TPAPP/TiO2 composite, the surface modification of TiO2 was carried out with glycidoxypropyltrimethoxy silane (GPTMS) which acts as a coupling agent. This is an epoxy terminated silane and could easily bond to the amino group of TPAPP through epoxy cleavage...
January 9, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28088689/syntheses-structures-and-fluorescence-properties-of-three-rare-earth-containing-docosatungstates
#5
Hailou Li, Yajie Liu, Rui Zheng, Xing Ma, Lijuan Chen, Junwei Zhao
Three rare-earth containing docosatungstates Na3H2[RE(H2O)4][RE(H2O)5]2[W22O74H2]·36H2O [RE=Dy(III) (1), Ho(III) (2), Y(III) (3)] have been synthesized by reaction of Na2WO4·2H2O, dimethylamine hydrochloride (DMAHC) and RE(NO3)3·6H2O in the aqueous solution and characterized by elemental analyses, IR spectra, thermogravimetric (TG) analysis, powder X-ray diffraction (PXRD) and single-crystal X-ray diffraction. 1-3 are isomorphous and each molecular unit consists of a S-shaped docosatungstate [W22O74H2](14-) polyoxoanion with two supporting [RE(H2O)5](3+) cations and one disordered [RE(H2O)4](3+) cation...
January 9, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28076768/microscopic-solvation-environments-in-a-prototype-room-temperature-ionic-liquid-as-elucidated-by-resonance-raman-spectroscopy-of-iodine-and-bromine
#6
Satyen Saha, Hajime Okajima, Osamu Homma, Hiro-O Hamaguchi
Microscopic solvation environments in a prototype ionic liquid, bmimTf2N; 1-butyl-3-methyl-imidazolium-bis(trifluoromethanesulfonyl)imide, have been studied with the use of halides, X2 and Xn(-) (X=I, Br; n=3,5), as molecular probes. Resonance Raman spectroscopy has been used to detect these halogen species existing in bmimTf2N as well as in reference solvents including heptane, cyclohexane, KX/H2O and benzene. In heptane and cyclohexane, only free X2 species are detected. In KX/H2O, only Xn(-) and, in benzene, only benzene-X2 complexes are detected...
January 8, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28088690/electrochemical-studies-of-dna-interaction-and-antimicrobial-activities-of-mn-ii-fe-iii-co-ii-and-ni-ii-schiff-base-tetraazamacrocyclic-complexes
#7
Anuj Kumar, Vinod Kumar Vashistha, Prashant Tevatia, Randhir Singh
Tetraazamacrocyclic complexes of Mn(II), Fe(III), Co(II) and Ni(II) have been synthesized by template method. These tetraazamacrocycles have been analyzed with various techniques like molar conductance, IR, UV-vis, mass spectral and cyclic voltammetric studies. On the basis of all these studies, octahedral geometry has been assigned to these tetraazamacrocyclic complexes. The DNA binding properties of these macrocyclic complexes have been investigated by electronic absorption spectra, fluorescence spectra, cyclic voltammetric and differential pulse voltammetric studies...
January 6, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28099894/handheld-new-technology-raman-and-portable-ft-ir-spectrometers-as-complementary-tools-for-the-in-situ-identification-of-organic-materials-in-modern-art
#8
M Vagnini, F Gabrieli, A Daveri, D Sali
A non-invasive approach has been carried out to characterize painting materials used in modern artworks conserved in the art collection of Carandente's museum at Palazzo Collicola in Spoleto (Italy). This work is focused on the cross-validation of the handheld BRAVO Raman spectrometer, that uses a sequentially Shifted Excitation (SSE) to mitigate fluorescence, for the characterization specifically of organic materials. The analytical procedure, combining XRF, Raman and reflection infrared spectroscopy, allowed a complete characterization of the artists' palettes; particularly eight different synthetic dyes belonging to the class of pigment red (PR) and pigment yellow (PY...
January 5, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28092825/non-invasive-techniques-for-revealing-the-palette-of-the-romantic-painter-francesco-hayez
#9
Laura Rampazzi, Valentina Brunello, Cristina Corti, Elena Lissoni
This paper describes the first systematic analysis of the palette of Francesco Hayez, one of the most outstanding artists of European Romanticism, whose painting technique has never been extensively investigated despite the plethora of artistic studies. He lived in a particular moment in the history of painting, as in the first half of the 19th century many synthetic pigments were available, also in tin tubes, but traditional materials were still used. Sixteen paintings on canvas and on panels, created between 1823 and 1868, were analyzed in situ through non-invasive techniques (infrared reflectography and infrared reflection spectroscopy)...
January 5, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28081493/optical-and-vibrational-properties-of-phosphorylcholine-based-contact-lenses-experimental-and-theoretical-investigations
#10
Katarzyna Filipecka, Rafał Miedziński, Maciej Sitarz, Jacek Filipecki, Małgorzata Makowska-Janusik
The Raman, MIR and UV-vis spectroscopy have been used to characterize Omafilcon A material constructing the one of the Proclear family contact lenses. The Omafilcon A is hydrogel material composed of 2-hydroxyethyl methacrylate (HEMA) and 2-methacryloyloxyethyl phosphorylcholine (PC) polymers crosslinked with ethyleneglycol dimethacrylate (EGDMA). Vibrational and electronic properties of the Omafilcon A material were also investigated by quantum chemical calculations. Experimentally obtained Raman, MIR and optical spectra were compared to the theoretical ones calculated applying RHF and DFT methodology...
January 5, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28088082/nature-of-phase-transitions-in-ammonium-oxofluorovanadates-a-vibrational-spectroscopy-study-of-nh4-3vo2f4-and-nh4-3vof5
#11
REVIEW
Yu V Gerasimova, A S Oreshonkov, N M Laptash, A N Vtyurin, A S Krylov, N P Shestakov, A A Ershov, A G Kocharova
Two ammonium oxofluorovanadates, (NH4)3VO2F4 and (NH4)3VOF5, have been investigated by temperature-dependent infrared and Raman spectroscopy methods to determine the nature of phase transitions (PT) in these compounds. Dynamics of quasioctahedral groups was simulated within the framework of semi-empirical approach, which justified the cis-conformation of VO2F4(3-) (C2v) and the C4v geometry of VOF5(3-). The observed infrared and Raman spectra of both compounds at room temperature (RT) revealed the presence at least of two crystallographically independent octahedral groups...
January 4, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28081494/a-cockspur-for-the-dss-cells-erythrina-crista-galli-sensitizers
#12
Paula Enciso, Jean-David Decoppet, Michael Grätzel, Michael Wörner, Franco M Cabrerizo, María Fernanda Cerdá
Dye sensitized solar cells were assembled employing a mixture of anthocyanins extracted from red ceibo's flowers. At the literature different extraction procedures are reported to extract anthocyanins from natural products and sensitize the cells. In order to compare them, different methods were followed to set the cells under the same conditions. Assembled cells showed very interesting conversion efficiency values, reaching a 0.73% value for extracts purified using C18 column, in open cells under illumination using a solar light simulator, 1 sun, 1...
January 4, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28081492/hassle-free-synthesis-of-nanodimensional-ni-cu-and-zn-sulfides-for-spectral-sensing-of-hg-cd-and-pb-a-comparative-study
#13
Zarina Ansari, Shib Shankar Singha, Abhijit Saha, Kamalika Sen
A simple room temperature synthesis method of Ni, Cu and Zn sulfide nanoparticles (NPs) in aqueous medium is reported here. The NPs stabilized in aqueous medium by the citrate ions were characterized by UV-vis, ζ potentials, TEM and Raman spectroscopic techniques. The solid NPs could be isolated from the aqueous medium when allowed to stand for a prolonged time (~20h). The solids were also characterized by IR and powder X-ray analysis. The nanoparticles were further used for the development of facile optical sensing and detection of heavy metal ions at trace scale...
January 4, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28073067/dft-study-of-the-molecular-and-crystal-structure-and-vibrational-analysis-of-cisplatin
#14
I Georgieva, N Trendafilova, N Dodoff, D Kovacheva
DFT and periodic-DFT (PAW-PBE method, code VASP) calculations have been performed to study the structural and vibrational characteristics of cis-diamminedichloroplatinum(II) (cisplatin) at molecular and outside molecular level. To estimate the effect of the intermolecular interactions in crystal on the structural and vibrational properties of cisplatin, three theoretical models are considered in the present study: monomer (isolated molecule), hydrogen bonded dimer and periodic solid state structures. The work focused on the role of the theoretical models for correct modeling and prediction of geometrical and vibrational parameters of cisplatin...
January 4, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28064137/a-highly-selective-chromogenic-sensor-for-mn-2-turn-off-fluorometric-for-hg-2-ion-and-turn-on-fluorogenic-sensor-for-f-ion-with-the-practical-application
#15
Neha Gupta, Divya Singhal, Ashok Kumar Singh, Neetu Singh, U P Singh
A colorimetric and fluorometric probe (E)-2-((8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)hydrazinecarbothioamide based on thiosemicarbazide and julolidine moieties has been synthesised in pure crystalline form and characterized by (1)H NMR, UV-vis, elemental analysis and single crystal XRD. The probe functioned as multitarget ion sensor, detect biologically important metal ions Hg(2+) and Mn(2+) in dual channel mode. Meanwhile, in mixed solvent media DMF/H2O [8:2], probe displayed selectivity for Hg(2+) over other cations by the emission spectrum...
January 4, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28086166/on-the-spectroscopic-analyses-of-3-hydroxy-1-phenyl-pyridazin-6-2h-one-hphp-a-comparative-experimental-and-computational-study
#16
M A M El-Mansy, M S El-Bana, S S Fouad
We have systematically calculated various physical characteristics such as optimized molecular structural parameters, vibrational frequencies, HOMO-LUMO energy gap, total dipole moment and thermochemical parameters: nuclear repulsion energy, ionization energy, electron affinity, global hardness, electronic chemical potential, global electrophilicity index and finally softness (ζ) using DFT/B3LYP utilizing 6-311G(d,p) basis set for 3-Hydroxy-1-Phenyl-Pyridazin-6(2H)one (HPHP). Also, HPHP nonlinear optical (NLO) properties have been checked by DFT/B3LYP utilizing 6-311G(d,p) basis set...
January 3, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28073066/unique-optical-properties-of-eu-3-doped-l-histidine-hydrochloride-mono-hydrate-single-crystals-from-low-temperature-growth-technique
#17
K Ramachandra Rao, S Rajyalakshmi, Ch Satya Kamal, B Brahmaji, Jacek B Jasinski, T K Visweswara Rao
A low-temperature solution method was utilized to grow single crystals of Eu(3+)doped l-histidine hydrochloride monohydrate. The quality of the crystals was confirmed by high-resolution X-ray diffraction measurements with full width at half maximum (FWHM) of rocking curve at 8arc per sec. The incorporation of Eu(3+) ions into the lattice was confirmed by functional group analysis using Fourier Transform Infrared (FTIR) spectroscopy. The amount of Eu(3+) ions was found to be 0.08 weight (%) using energy dispersive X-ray analysis...
December 30, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28063310/understanding-the-conformational-changes-and-molecular-structure-of-furoyl-thioureas-upon-substitution
#18
Raúl Ramos Cairo, Ana María Plutín Stevens, Tamires Donizeth de Oliveira, Alzir A Batista, Eduardo E Castellano, Julio Duque, Delia B Soria, Adolfo C Fantoni, Rodrigo S Corrêa, Mauricio F Erben
1-Acyl thioureas [R(1)C(O)NHC(S)NR(2)R(3)] are shown to display conformational flexibility depending on the degree of substitution at the nitrogen atom. The conformational landscape and structural features for two closely related thioureas having R(1)=2-furoyl have been studied. The un-substituted 2-furoyl thiourea (I) and its dimethyl analogue, i.e. 1-(2-furoyl)-3,3-dimethyl thiourea (II), have been synthesized and fully characterized by spectroscopic (FT-IR, (1)H and (13)C NMR) and elemental analysis. According to single crystal X-ray diffraction analysis, compounds I and II crystallize in the monoclinic space group P21/c...
December 28, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28063309/qualitative-and-quantitative-changes-in-phospholipids-and-proteins-investigated-by-spectroscopic-techniques-in-animal-depression-model
#19
J Depciuch, M Sowa-Kucma, G Nowak, M Papp, P Gruca, P Misztak, M Parlinska-Wojtan
Depression becomes nowadays a high mortality civilization disease with one of the major causes being chronic stress. Raman, Fourier Transform Infra Red (FTIR) and Ultraviolet-Visible (UV-vis) spectroscopies were used to determine the changes in the quantity and structure of phospholipids and proteins in the blood serum of rats subjected to chronic mild stress, which is a common animal depression model. Moreover, the efficiency of the imipramine treatment was evaluated. It was found that chronic mild stress not only damages the structure of the phospholipids and proteins, but also decreases their level in the blood serum...
December 28, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28039846/fluorescent-fingerprints-of-edible-oils-and-biodiesel-by-means-total-synchronous-fluorescence-and-tucker3-modeling
#20
Matías Insausti, Adriano de Araújo Gomes, José Manuel Camiña, Mario Cesar Ugulino de Araújo, Beatriz Susana Fernández Band
The present work proposes the use of total synchronous fluorescence spectroscopy (TSFS) as a discrimination methodology for fluorescent compounds in edible oils, which are preserved after the transesterification processes in the biodiesel production. In the same way, a similar study is presented to identify fluorophores that do not change in expired vegetal oils, to associate physicochemical parameters to fluorescent measures, as contribution to a fingerprint for increasing the chemical knowledge of these products...
December 28, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
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