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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy

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https://www.readbyqxmd.com/read/30029193/photoconversion-of-an-anthraquinone-derivative-in-the-presence-of-human-serum-albumin
#1
Fatemeh Isfahani, Davood Ajloo, Ayoub Kanaani, Ali A Saboury
Photconversion of an anthraquinone photochrome (AQP) from Trans to Ana forms were studied by different methods and techniques. Solution of AQP was irradiated under UV light in buffer condition, pH = 7.5, 10 mM phosphate buffer in the absence and presence of human serum albumin at 27 and 37 °C. The results showed that a new peak at higher wavelength was observed that indicative of producing the Ana form. Rate of Trans to Ana conversion increases in the presence of human serum albumin (HSA). Electron transport calculations were carried out from the first principles with a method based on non-equilibrium Green's functions (NEGF) combined with DFT...
July 17, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30029192/an-experimental-ninhydrin-design-approach-for-the-sensitive-spectrofluorimetric-assay-of-milnacipran-in-human-urine-and-plasma
#2
Islam M Mostafa, Sayed M Derayea, Dalia M Nagy, Mahmoud A Omar
Women are the most ones who susceptible to a common syndrome called fibromyalgia syndrome, up to 90% of all people with fibromyalgia are women. It affects mainly muscles and soft tissue and cause for them muscle pain, sleep problems and painful tender points. Milnacipran is acting as a serotonin-norepinephrine reuptake inhibitor (SNRI) therefore, it is recommended for the treatment of this syndrome. The widespread use of this compound in our market requires the development and validation of a simple, sensitive, cheap, fast and reproducible spectrofluorimetric method for the assay of milnacipran hydrochloride in its pure state, pharmaceutical tablets and spiked human urine and plasma...
July 17, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30029191/rational-design-of-an-on-off-on-fluorescent-switch-for-cu-2-and-histidine-based-on-chiral-macrocyclic-dioxopolyamine
#3
Xiaohuan Huang, Kaiqun Li, Xu Wang, Peng Xia
A novel chemosensor 1 having a chiral macrocyclic dioxopolyamine of C2 symmetry as a receptor and anthracene as a signal unit has been designed and synthesized for cations and α-amino acids recognition in DMSO-HEPES buffer (1:9, v/v, pH 7.2). The ligand exhibited selective response to Cu2+ even in the presence of other metal ions with a fluorescence "switch-off" behavior. Additionally, the in situ generated 1-Cu2+ ensemble displayed specific recognition to histidine by a "switch-on" fluorescence response...
July 17, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30029190/a-naphthalene-quinoline-based-chemosensor-for-fluorescent-turn-on-and-absorbance-ratiometric-detection-of-al-3-and-its-application-in-cells-imaging
#4
Shuang Zeng, Shi-Jie Li, Xue-Jiao Sun, Ming-Qiang Li, Yu-Qing Ma, Zhi-Yong Xing, Jin-Long Li
A new naphthalene-quinoline based chemosensor L was prepared and structurally characterized. L exhibited excellent selectivity and sensitivity to Al3+ through distinct fluorescence enhancement (335-fold) and ratiometric detection in DMF/H2 O (v/v, 1/9) based on the combined mechanisms of ESIPT and CHEF. The recognizing behavior of L toward Al3+ had been investigated in detail through Job's Plot, FT-IR, HNMR, and HRMS analysis. The limit of detection (LOD) for Al3+ was as low as and 3.67 × 10-8  M. L was successfully applied in real sample detection and construction of molecular logic gate...
July 17, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30029189/ftir-and-dispersive-gas-phase-fundamental-infrared-intensities-of-the-fluorochloromethanes-comparison-with-qcisd-cc-pvtz-results
#5
Leonardo J Duarte, Arnaldo F Silva, Wagner E Richter, Roy E Bruns
New experimental values of the fundamental infrared gas phase intensities of the fluorochloromethanes have been determined by integrating the areas of vibrational bands contained in the PNNL spectral library using homemade software. The root mean square differences of these values and averages of experimental values determined at lower resolution during the latter part of the 20th century is 26.6 km mol-1 . All but one of the low resolution intensities are smaller than the PNNL values. The exception is the ν1 ,ν4 overlapped band intensity of CF3 Cl that has a standard deviation of the low resolution values of ±112...
July 17, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30029188/novel-chemical-sensor-for-detection-ca-ii-ions-based-on-ferutinin
#6
Sayed M Saleh, Eman M Elkady, Reham Ali, Fahad Alminderej, Tarik A Mohamed
A new optical chemical sensor based on medicinal compound, jaeschkeanadiol p-hydroxyben-zoate (Ferutinin), has been designed and utilized for Ca(II) ions detections. This natural optical sensor exhibits immense selectivity including fluorescence and absorption ratiometric for Ca(II) ions within precious physiological pH range. Further, the chelation process of the Ca(II) ions with the medicinal optical sensor ferutinin yields a 1:1 (metal: ligand) complex which is accompanied by fluorescence enhancement of the main emission band centered at 355 nm of the medicinal probe...
July 17, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30029185/rapid-determination-by-near-infrared-spectroscopy-of-theaflavins-to-thearubigins-ratio-during-congou-black-tea-fermentation-process
#7
Chunwang Dong, Jia Li, Jinjin Wang, Gaozhen Liang, Yongwen Jiang, Haibo Yuan, Yanqin Yang, Hewei Meng
The theaflavin-to-thearubigin ratio (TF/TR) is an important parameter for evaluating the degree of fermentation and quality characteristics of Congou black tea. Near infrared (NIR) spectroscopy, one of the most promising techniques for evaluating large-scale tea processing quality, in association with chemometrics, can be used as a selection tool when a fast determination of the requested parameters is required. The aim of this work is to develop a unique model for the determination of TF/TR. First, 11 key wavelength variables were screened by synergy interval partial least-squares regression (SI-PLS) and competitive adaptive reweighted sampling (CARS)...
July 17, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30025294/dispersion-analysis-of-sodium-dichromate-dihydrate-na-2-cr-2-o-7-%C3%A2-2h-2-o-single-crystal
#8
Sonja Höfer, Jürgen Popp, Thomas G Mayerhöfer
A single crystal of monoclinic sodium dichromate dihydrate was investigated by FTIR-spectroscopy in the spectral region of 4000-80 cm-1 . On the measured reflection spectra dispersion analysis was performed to gain the oscillator parameters of the transition dipole moments of Na2 Cr2 O7 ·2H2 O and by that the dielectric tensor function. The gained oscillator parameters were verified by forward-calculation of spectra using different crystal faces.
July 12, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30015024/enhanced-chemical-and-spatial-recognition-of-fish-bones-in-surimi-by-tri-step-infrared-spectroscopy-and-infrared-microspectroscopic-imaging
#9
Wei Wei, Yu Yan, Xiao-Peng Zhang, Yuan Liu, Ying Lu, Wen-Zheng Shi, Chang-Hua Xu
Surimi is an intermediate product with an increasing popularity worldwide. Discrimination of impurities like fish bones in surimi has become an urgent issue owing to the food safety and the improved requirements for assessment methods in identification of surimi quality and grades. A Tri-step infrared spectroscopy, including Fourier transform infrared spectroscopy (FT-IR), second derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2DCOS-IR) has been applied to integrally discriminate different contents (1%-8%) of fish bones in surimi at macro-scale...
July 12, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30029195/analysis-of-raw-eem-fluorescence-spectra-ica-and-parafac-capabilities
#10
Jorge Costa Pereira, Alberto A C C Pais, Hugh D Burrows
Excitation-Emission fluorescence spectroscopy is a versatile technique and has been used to detect, characterize and quantify residual Dissolved Organic Matter (DOM) in aquatic domains. PARAllel FACtor Analysis (PARAFAC) has been extensively used in the analysis of excitation-emission matrices (EEM), allowing for a better identification and quantification of contributions resulting from spectral decomposition. In this work we have adapted Independent Component Analysis (ICA) in order to make it suitable to the analysis of three-way EEM datasets, and tested ICA and PARAFAC performances for the study of three available datasets (Claus, Dorrit and drEEM)...
July 11, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30015028/effect-of-temperature-on-the-electrical-properties-of-lanthanum-ferrite
#11
Refka Andoulsi-Fezei, Nasr Sdiri, Karima Horchani-Naifer, Mokhtar Férid
Electric and dielectric properties of lanthanum ferrite were investigated by the alternating current impedance spectroscopy. Results reveal that LaFeO3 exhibits a non-Debye type relaxation. High values of ε' were obtained at low frequency. Such behavior was explained based on the Maxwell-Wagner polarization model. Furthermore, a low dielectric loss was obtained at high frequencies indicating that the obtained compound is an important candidate for nonlinear optical application. The variation of the AC conductivity with frequency at different temperatures obeys the universal Jonscher's power law...
July 11, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30015027/comparison-and-application-of-fluorescence-eems-and-drifts-combined-with-chemometrics-for-tracing-the-geographical-origin-of-radix-astragali
#12
Leqian Hu, Chunling Yin, Shuai Ma, Zhimin Liu
Selection of the appropriate method for traceability may be of great interest for the characterization of food authenticity and to reveal falsifications. The possibility of tracing the geographical origins of Radix Astragali based on diffuse reflectance mid-infrared Fourier transform spectroscopy (DRIFTS) technique and fluorescence fingerprints (EEMs) technique was investigated in this work. DRIFTS technique combined with PCA and PLS-DA and EEMs technique combined with M-PCA and N-PLS-DA were used to determine the geographical origin of Radix Astragali samples, respectively...
July 11, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30015026/urea-based-porous-organic-polymer-graphene-oxide-hybrid-as-a-new-sorbent-for-highly-efficient-extraction-of-bovine-serum-albumin-prior-to-its-spectrophotometric-determination
#13
Mahbobeh Ghazagh Miri, Mostafa Khajeh, Ali Reza Oveisi, Mousa Bohlooli
A 3D urea-based porous organic polymer (Urea-POP) was prepared via the reaction of tetrakis(4-aminophenyl)methane and 1,4-Phenylene diisocyanate. The polymer was subsequently reacted with 2D layered nanosheets of graphene oxide (GO) to prepare Urea-POP/GO as a novel and highly efficient sorbent for pre-concentration and extraction of serum albumin samples, prior to spectrophotometric determination. The hybrid material combines advantages of both POP and GO such as hydrophilicity, high dispersion stability, porosity, and having a large number of nitrogen- and oxygen-containing functional groups...
July 11, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30015025/rapid-production-of-cadmium-infinite-coordination-polymer-nanofiber-via-solvent-induced-precipitation-method
#14
M Mohammadikish, K Zamani
The precipitation synthesis of cadmium infinite coordination polymer (Cd-ICP) nanofibers with a high degree of uniformity is reported. The elemental analyses (CHN and ICP-OES), energy-dispersive X-ray spectroscopy (EDX) and thermogravimetric analysis (TGA) show that thermally robust monodisperse solid consists of bi-carboxylic acid linker and cadmium ion. The coordination between the Cd2+ ion and bi-carboxylic acid linker was investigated by Fourier transform infrared (FT-IR) spectroscopy. The photoluminescence (PL) properties of the Cd-ICP were studied in comparison with those of the bi-carboxylic acid linker...
July 11, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30007885/a-targetable-fluorescent-probe-for-real-time-monitoring-of-fluoride-ions-in-mitochondria
#15
Kai Zhou, Mingguang Ren, Li Wang, Zihong Li, Weiying Lin
Fluorion are pivotal anions in biology because they play an important role in dental care, treating osteoporosis, preventing tooth decay and promoting the healthy growth of bone. Studies have shown that high levels of fluoride will lead to the inactivation of the mitochondria. Therefore, it is urgent to develop a method to detect the fluoride anions in the mitochondria. Herein, we have developed a novel mitochondrial-target fluorescent probe for detecting F- in living cells. The probe exhibited excellent sensitivity and high selectivity for F- over the other relative species...
July 11, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30029187/the-effect-of-sn-on-the-physical-and-optical-properties-of-se-0-6-as-0-1-ge-0-3-100-x-sn-x-glasses
#16
S Ahmadpour, M Rezvani, P Bavafa
Chalcogenide glasses are significant materials for semiconducting and infrared imaging because of their infrared (IR) transparency. In the present study, Se-Ge-As based chalcogenide glasses with chemical composition of (Se0.6 As0.1 Ge0.3 )100-x Snx doped with different amounts of Sn were prepared by conventional melting-quenching method. Physical properties of glasses were investigated by studying density and molar volume. Based on differential scanning calorimetry (DSC) results and density measurements, the binary role of Sn was proved...
July 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30015032/quantum-cascade-laser-based-absorption-spectroscopy-for-direct-monitoring-of-atmospheric-n-2-o-isotopes
#17
Sheng Zhou, Ningwu Liu, Lei Zhang, Tianbo He, Jingsong Li
A compact high-resolution spectroscopic sensor using a thermoelectrically (TE) cooled continuous-wave (CW) room temperature (RT) quantum cascade laser (QCL) operating at 4.6 μm, is employed for simultaneous detection of three main isotopic species (14 N15 N16 O, 15 N14 N16 O and 14 N14 N16 O). To enable a high-precision analysis of N2 O isotopic species at ambient mixing ratios, a liquid nitrogen-free preconcentration unit is built to trap and load atmospheric N2 O. The absorption spectra of 14 N15 N16 O, 15 N14 N16 O, and 14 N14 N16 O between 2188...
July 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30015029/manganese-doped-carbon-quantum-dots-based-fluorescent-probe-for-selective-and-sensitive-sensing-of-2-4-6-trinitrophenol-via-an-inner-filtering-effect
#18
Huanhuan Fan, Guo Qiang Xiang, Yule Wang, Heng Zhang, Keke Ning, Junyue Duan, Lijun He, Xiuming Jiang, Wenjie Zhao
In the present work, a selective and sensitive method for detecting TNP using manganese doped carbon quantum dots (Mn-CDs) was developed. The Mn-CDs were prepared via a simple hydrothermal method using 1-(2-pyridinylazo)-2-naohthalenol naohthalenol (PAN) and MnCl2 as precursors. The as-prepared Mn-CDs have UV emission with high quantum yield (83.2%). Because of the strong characteristic absorption of TNP at 356 nm, which has good spectral overlap with the emission peak of Mn-CDs, the fluorescence intensity of Mn-CDs at 360 nm is linearly quenched in the presence of TNP in the concentration range of 0...
July 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30015022/uv-vis-ftir-1-h-13-c-nmr-spectra-and-thermal-studies-of-charge-transfer-complexes-formed-in-the-reaction-of-gliclazide-with-%C3%AF-and-%C3%AF-electron-acceptors
#19
Sara Soltani, Pierre Magri, Marek Rogalski, Mekki Kadri
Charge transfer interactions (CT) between a gliclazide (GLC) donor and a picric acid (PA) π acceptor or iodine σ acceptor, were studied in a chloroform solution and in the solid state. UV-vis spectroscopy elucidated the formation of the complexes, and allowed determination of the stoichiometry, stability constants (K), and thermodynamic quantities (ΔG°, ΔH°, and ΔS°), and spectroscopic properties such as the molar extinction coefficient (εCT ), oscillator strength (f), transition dipole moment (μEN ), and ionization potential (Ip )...
July 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30015021/testing-the-purity-of-spectral-profiles-finger-print-resolution-of-complex-matrices-and-extraction-of-absorbance-signals
#20
Hayam M Lotfy, Sarah S Saleh
The application of spectrophotometric techniques has shown a tremendous development over the past few years, where it is possible to determine the concentrations of several components in complex matrix. A new feature will be introduced in this work where the application of spectrophotometric techniques will be enhanced to resolution and checking the purity of signals. The finger-print resolution "ratio subtraction method" (RSM) was coupled with the novel complementary method "unified constant subtraction" (UCS); in addition to the methods: extended ratio subtraction method (EXRSM), constant multiplication (CM) or "spectrum subtraction" (SS)...
July 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
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