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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy

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https://www.readbyqxmd.com/read/29353217/vibrational-spectroscopic-study-of-cationic-phosphorus-dendrimers-with-aminoethylpiperidine-terminal-groups
#1
V L Furer, A E Vandyukov, V Tripathi, J P Majoral, A M Caminade, V I Kovalenko
Two generations of phosphoric dendrimers with piperidine functional groups were synthesized for use in biology and medicine. Neutral samples are soluble in organic solvents but after protonation these dendrimers become water soluble and can be used for biological experiments. The FTIR and FT Raman spectra of two generations of dendrimers Gi constructed from the cyclotriphosphazene core, repeating units OC6H4CHNN(CH3)P(S)< and aminoethylpiperidine end groups NH(CH2)2C5NH11 were recorded. The study of the IR spectra shows that the NH groups form hydrogen bonds...
January 12, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29353216/an-efficient-swarm-intelligence-approach-to-feature-selection-based-on-invasive-weed-optimization-application-to-multivariate-calibration-and-classification-using-spectroscopic-data
#2
Saheleh Sheykhizadeh, Abdolhossein Naseri
Variable selection plays a key role in classification and multivariate calibration. Variable selection methods are aimed at choosing a set of variables, from a large pool of available predictors, relevant to the analyte concentrations estimation, or to achieve better classification results. Many variable selection techniques have now been introduced among which, those which are based on the methodologies of swarm intelligence optimization have been more respected during a few last decades since they are mainly inspired by nature...
January 12, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29353111/investigation-of-phase-separated-polyimide-blend-films-containing-boron-nitride-using-ftir-imaging
#3
Boknam Chae, Deok Gi Hong, Young Mee Jung, Jong Chan Won, Seung Woo Lee
Immiscible aromatic polyimide (PI) blend films and a PI blend film incorporated with thermally conductive boron nitride (BN) were prepared, and their phase separation behaviors were examined by optical microscopy and FTIR imaging. The 2,2'-bis(trifluoromethyl)benzidine (TFMB)-containing and 4,4'-thiodianiline (TDA)-containing aromatic PI blend films and a PI blend/BN composite film show two clearly separated regions; one region is the TFMB-rich phase, and the other region is the TDA-rich phase. The introduction of BN induces morphological changes in the immiscible aromatic PI blend film without altering the composition of either domain...
January 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29351859/structural-and-immunological-characterization-of-hydroxyl-radical-modified-human-igg-clinical-correlation-in-rheumatoid-arthritis
#4
Sidra Islam, Abdul Rouf Mir, Mir Yasir Arfat, Farzana Khan, Masihuz Zaman, Asif Ali, Moinuddin
Structural alterations in proteins under oxidative stress have been widely implicated in the immuno-pathology of various disorders. This study has evaluated the extent of damage in the conformational characteristics of IgG by hydroxyl radical (OH) and studied its implications in the immuno-pathology of rheumatoid arthritis (RA). Using various biophysical and biochemical techniques, changes in aromatic microenvironment of the IgG and the protein aggregation became evident after treatment with OH. The SDS-PAGE study confirmed the protein aggregation while far ultraviolet circular dichroism spectroscopy (Far-UV CD) and fourier transform infrared spectroscopy (FTIR) inferred towards the alterations in secondary structure of IgG under OH stress...
January 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29339214/preparation-and-spectral-properties-of-europium-hydrogen-squarate-microcrystals
#5
T Kolev, N Danchova, D Shandurkov, S Gutzov
A simple scheme for preparation of europium hydrogen squarate octahydrate microcrystals, Eu(HSq)3·8H2O is demonstrated. The microcrystalline powders obtained have a potential application as non-centrosymmetric and UV radiation - protective hybrid optical material. The site-symmetry of the Eu - ion is C2V or lower, obtained from diffuse reflectance spectra. The formation of europium hydrogen squarate is supported by IR - spectroscopy, UV-vis spectroscopy, chemical analysis and X-ray diffraction. A detailed analysis of the UV-vis and IR spectra of the micropowders prepared is presented...
January 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29331813/comparative-study-of-the-efficiency-of-computed-univariate-and-multivariate-methods-for-the-estimation-of-the-binary-mixture-of-clotrimazole-and-dexamethasone-using-two-different-spectral-regions
#6
Yasmin Mohammed Fayez, Shereen Mostafa Tawakkol, Nesma Mahmoud Fahmy, Hayam Mahmoud Lotfy, Mostafa Abdel-Aty Shehata
Three methods of analysis are conducted that need computational procedures by the Matlab® software. The first is the univariate mean centering method which eliminates the interfering signal of the one component at a selected wave length leaving the amplitude measured to represent the component of interest only. The other two multivariate methods named PLS and PCR depend on a large number of variables that lead to extraction of the maximum amount of information required to determine the component of interest in the presence of the other...
January 9, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29331816/new-robust-sensitive-fluorescence-spectroscopy-coupled-with-plsr-for-estimation-of-quercetin-in-ziziphus-mucronata-and-ziziphus-sativa
#7
Javid Hussain, Fazal Mabood, Ahmed Al-Harrasi, Liaqat Ali, Tania Shamim Rizvi, Farah Jabeen, Syed Abdullah Gilani, Shehla Shinwari, Mushtaq Ahmad, Zahra Khalfan Alabri, Said Hamood Salim Al Ghawi
Flavonoids are natural antioxidants derived from plants and commonly found in a variety of foods to sequester free radicals. Quercetin, belonging to flavonol subclass of flavonoids, has received considerable attention because of its wide uses as a nutritional supplement as well as a phytochemical remedy for a number of diseases. In the current study, quantification of quercetin was carried out in two medicinally important flavonoid rich plant Ziziphus mucronata and Ziziphus sativa. Emission spectroscopy was utilized as a new method coupled with Partial Least Squares Regression (PLSR) and the cross validation was done by UV-Visible spectroscopy...
January 6, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29331815/chemometric-simultaneous-determination-of-sofosbuvir-and-ledipasvir-in-pharmaceutical-dosage-form
#8
Mahsa Khalili, Mahmoud Reza Sohrabi, Vahid Mirzabeygi, Nahid Torabi Ziaratgahi
Partial least squares (PLS), different families of continuous wavelet transform (CWT), and first derivative spectrophotometry (DS) techniques were studied for quantification of Sofosbuvir (SFB) and Ledipasvir (LDV) simultaneously without separation step. The components were dissolved in Acetonitrile and the spectral behaviors were evaluated in the range of 200 to 400nm. The ultraviolet (UV) absorbance of LDV exhibits no interferences between 300 and 400nm and it was decided to predict the LDV amount through the classic spectrophotometry (CS) method in this spectral region as well...
January 6, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29328955/investigation-of-carbonates-in-the-sutter-s-mill-meteorite-grains-with-hyperspectral-infrared-imaging-micro-spectroscopy
#9
Mehmet Yesiltas
Synchrotron-based high spatial resolution hyperspectral infrared imaging technique provides thousands of infrared spectra with high resolution, thus allowing us to acquire detailed spatial maps of chemical molecular structures for many grains in short times. Utilizing this technique, thousands of infrared spectra were analyzed at once instead of inspecting each spectrum separately. Sutter's Mill meteorite is a unique carbonaceous type meteorite with highly heterogeneous chemical composition. Multiple grains from the Sutter's Mill meteorite have been studied using this technique and the presence of both hydrous and anhydrous silicate minerals have been observed...
January 6, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29325694/numerical-modeling-of-polymorphic-transformation-of-oleic-acid-via-near-infrared-spectroscopy-and-factor-analysis
#10
Ling Liu, Yuliang Cheng, Xiulan Sun, Fuwei Pi
Near-infrared (NIR) spectroscopy as a tool for direct and quantitatively screening the minute polymorphic transitions of bioactive fatty acids was assessed basing on a thermal heating process of oleic acid. Temperature-dependent NIR spectral profiles indicate that dynamical variances of COOH group dominate its γ → α phase transition, while the transition from active α to β phase mainly relates to the conformational transfer of acyl chain. Through operating multivariate curve resolution-alternating least squares with factor analysis, instantaneous contribution of each active polymorph during the transition process was illustrated for displaying the progressive evolutions of functional groups...
January 6, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29352639/indirect-glyphosate-detection-based-on-ninhydrin-reaction-and-surface-enhanced-raman-scattering-spectroscopy
#11
Meng-Lei Xu, Yu Gao, Yali Li, Xueliang Li, Huanjie Zhang, Xiao Xia Han, Bing Zhao, Liang Su
Glyphosate is one of the most commonly-used and non-selective herbicides in agriculture, which may directly pollute the environment and threaten human health. A simple and effective approach to assessment of its damage to the natural environment is thus quite necessary. However, traditional chromatography-based detection methods usually suffer from complex pretreatment procedures. Herein, we propose a simple and sensitive method for the determination of glyphosate by combining ninhydrin reaction and surface-enhanced Raman scattering (SERS) spectroscopy...
January 5, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29339023/calculated-shape-dependence-of-electromagnetic-field-in-tip-enhanced-raman-scattering-by-using-a-monopole-antenna-model
#12
Yasutaka Kitahama, Tamitake Itoh, Toshiaki Suzuki
To evaluate the shape of an Ag tip with regard to tip-enhanced Raman scattering (TERS) signal, the enhanced electromagnetic (EM) field and scattering spectrum, arising from surface plasmon resonance at the apex of the tip, were calculated using a finite-difference time domain (FDTD) method. In the calculated forward scattering spectra from the smooth Ag tip, the band appeared within the visible region, similar to the experimental results and calculation for a corrugated Ag cone. In the FDTD calculation of TERS, the Ag tip acting as a monopole antenna was adopted by insertion of a perfect electric conductor between the root of the tip and a top boundary surface of the calculation space...
January 5, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29331822/synthesis-of-uio-66-oh-zirconium-metal-organic-framework-and-its-application-for-selective-extraction-and-trace-determination-of-thorium-in-water-samples-by-spectrophotometry
#13
Zahra Safaei Moghaddam, Massoud Kaykhaii, Mostafa Khajeh, Ali Reza Oveisi
In this study, a zirconium-based metal-organic framework (Zr-MOF), named UiO-66-OH, was synthesized by the solvo-thermal method and characterized by Fourier transform-infrared spectroscopy (FTIR), powder X-ray diffraction (PXRD), and scanning electron microscopy (SEM). This Zr-MOF was then employed as a sorbent for selective extraction and preconcentration of thorium ions after their complexation with 2‑(2,4‑dihydroxyphenyl)‑3,5,7‑trihydroxychromen‑4‑one (morin) from environmental water samples prior to its spectrophotometrical determination...
January 5, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29331821/influences-of-cdse-ncs-on-the-photovoltaic-parameters-of-bhj-organic-solar-cells
#14
Fatih Ongul, Sureyya Aydin Yuksel, Cagdas Allahverdi, Sinem Bozar, Mehmet Kazici, Serap Gunes
In this study, the high quality CdSe nanocrystals (NCs) capped with stearic acid were synthesized in a solvent and then purified four times by using the precipitation and redissolution process. The average size of the synthesized CdSe NCs was determined ~3.0nm via transmission electron microscopy (TEM) measurement and their corresponding optical band edge energy was also calculated as ~2.1eV using ultraviolet-visible (UV-Vis) absorption spectroscopy. The bulk heterojunction (BHJ) hybrid solar cells based on a ternary system including P3HT, PCBM and CdSe NCs at different weight concentrations (0wt%, 0...
January 5, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29331820/using-vibrational-molecular-spectroscopy-to-reveal-association-of-steam-flaking-induced-carbohydrates-molecular-structural-changes-with-grain-fractionation-biodigestion-and-biodegradation
#15
Ningning Xu, Jianxin Liu, Peiqiang Yu
Advanced vibrational molecular spectroscopy has been developed as a rapid and non-destructive tool to reveal intrinsic molecular structure conformation of biological tissues. However, this technique has not been used to systematically study flaking induced structure changes at a molecular level. The objective of this study was to use vibrational molecular spectroscopy to reveal association between steam flaking induced CHO molecular structural changes in relation to grain CHO fractionation, predicted CHO biodegradation and biodigestion in ruminant system...
January 5, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29331818/the-effect-of-cao-sio2-molar-ratio-of-cao-al2o3-sio2-glasses-on-their-structure-and-reactivity-in-alkali-activated-system
#16
Sylwia Kucharczyk, Maciej Sitarz, Maciej Zajac, Jan Deja
The influence of CaO/SiO2 molar ratio of calcium aluminosilicate glasses on resulting structure and reactivity was investigated. Chemical compositions of glasses were chosen to mimic the composition of the fly ash and slag amorphous phase. Understanding the reactivity of these materials is of high importance allowing further development of the composite cements to limit the environmental footprint of cement industry. Fourier transform infrared spectroscopy (FTIR) and Raman spectroscopy were employed to examine the structure of glasses...
January 5, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29331814/characterization-of-sp3-bond-content-of-carbon-films-deposited-by-high-power-gas-injection-magnetron-sputtering-method-by-uv-and-vis-raman-spectroscopy
#17
Krzysztof Zdunek, Rafał Chodun, Bartosz Wicher, Katarzyna Nowakowska-Langier, Sebastian Okrasa
This paper presents the results of investigations of carbon films deposited by a modified version of the magnetron sputtering method - HiPGIMS (High Power Gas Injection Magnetron Sputtering). In this experiment, the magnetron system with inversely polarized electrodes (sputtered cathode at ground potential and positively biased, spatially separated anode) was used. This arrangement allowed us to conduct the experiment using voltages ranging from 1 to 2kV and a power supply system equipped with 25/50μF capacitor battery...
January 5, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29328954/probing-the-stereoselective-interaction-of-ofloxacin-enantiomers-with-corresponding-monoclonal-antibodies-by-multiple-spectrometry
#18
Hongtao Mu, Zhenlin Xu, Yingju Liu, Yuanming Sun, Baoling Wang, Xiulan Sun, Zhanhui Wang, Sergei Eremin, Anatoly V Zherdev, Boris B Dzantiev, Hongtao Lei
Although stereoselective antibody has immense potential in chiral compounds detection and separation, the interaction traits between stereoselective antibody and the corresponding antigenic enantiomers are not yet fully exploited. In this study, the stereospecific interactions between ofloxacin isomers and corresponding monoclonal antibodies (McAb-WR1 and McAb-MS1) were investigated using time-resolved fluorescence, steady-state fluorescence, and circular dichroism (CD) spectroscopic methods. The chiral recognition discrepancies of antibodies with ofloxacin isomers were reflected through binding constant, number of binding sites, driving forces and conformational changes...
January 5, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29316483/organic-conjugated-small-molecule-materials-based-optical-probe-for-rapid-colorimetric-and-uv-vis-spectral-detection-of-phosphorylated-protein-in-placental-tissue
#19
Yanfang Wang, Na Yang, Yi Liu
A novel organic small molecule with D-Pi-A structure was prepared, which was found to be a promising colorimetric and ratiometric UV-vis spetral probe for detection of phosphorylated proteins with the help of tetravalent zirconium ion. Such optical probe based on chromophore WYF-1 shows a rapid response (within 10s) and high selectivity and sensitivity for phosphorylated proteins, giving distinct colorimetric and ratiometric UV-vis changes at 720 and 560nm. The detection limit for phosphorylated proteins was estimated to be 100nM...
January 5, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29310940/even-odd-alternation-of-near-infrared-spectra-of-alkane-%C3%AE-%C3%AF-diols-in-their-solid-states
#20
Yuta Toyama, Kohei Murakami, Norio Yoshimura, Masao Takayanagi
Even-odd alternation of the melting points of α,ω-disubstituted linear alkanes such as alkane-α,ω-diols, alkane-α,ω-dinitriles and α,ω-diaminoalkanes is well known. Melting points for compounds with an even number of carbons in their alkyl chains are systematically higher than those for compounds with an odd number of carbons. In order to clarify the origin of this alternation, near-infrared absorption spectra of linear alkane-α,ω-diols with 3 to 9 carbon atoms in their alkyl chains were measured in the liquid and solid states...
January 5, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
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