Total FTIR Spectra Translation for Improving Quantification of Protids

Abstract

In infrared spectroscopy, uncertain variations of the baseline are observed and these add an arbitrary constant to every absorbance. We have recently proposed an automatic baseline correction method by total translation of the infrared spectrum with regard to a reference spectrum (Cadet and Offmann, 1996a). This method improved the precision of the values obtained during quantitative determination of parotids in raw sugar cane juices: the mean and standard deviation values before correction were 1.3 × 10^?2 and 8.58 × 10^?2 and after correction they were 1.4 × 10^?2 and 7.05 × 10^?2respectively.     

Application of Legendre Polynomials Correction Before Component Quantification of Biological Mid-infrared Spectra

Abstract

Quantitative determination from infrared spectra still faces problems that are not completely resolved to date. One of these problems is the deformation of baselines.

We have tested the Legendre baseline correction method by subtracting from a spectrum the low-degreed terms from a Legendre polynomial function which is obtained by the decomposition of the spectrum.

As opposed to the filtered spectra with n=0 which remained very similar to the original spectra, the filtered spectra, as from n=2, exhibit a great amount of distorsion. This result suggests that it is as from n=2, that the terms that are meaningful to the signal (not just to baseline), are to be substracted.

Mathematical methods such as Principal Component Analysis and Principal Component Regression are used to analyse quantitatively components from biological samples. The thus predicted sucrose content values for values of n that range between 0 and 8 (n={0, 2, 4, 6, 8}) show that the best results are obtained for n=4. The mean and standard deviation values of the difference between reference and predicted values varies between 8.5 × 10^?2 and 6.6 × 10^?2 and between 0. 224 and 0. 195 respectively; these values are minimum when the n=4 term is subtracted from the spectra.

This processing hence, sensibly improves the quantification of components from Mid-FTIR spectra of biological solutions. This procedure would be interesting in cases where the precision of quantitative measures is essential.     

Evaluation of Carbon Rod Atomizer for Routine Analysis of Vanadium in Crude Oil by Atomic Absorption Spectroscopy

Abstract

The Carbon Rod Atomizer (CRA) was evaluated for routine trace analysis of vanadium in crude oil by atomic absorption spectroscopy with a carbon (graphite) tube as a micro-furnace. Two crude oil samples were analyzed, both by standard addition and standard working curve methods, and the results confirmed by analysis with flame atomic absorption spectroscopy using a fuel-rich nitrous oxide-acetylene flame. Because of the relative involatility of vanadium at the temperature of the CRA, quantitative recoveries of vanadium in crude oil occur only when the vanadium content of the sample injected into the CRA does not exceed the limit of about 1 × 10^?8 g. A sensitivity (weight/1% absorption) of 7.0 × 10^?11 g and detection limit (signal-to-root-mean-square-noise equal to two) of 6.9 × 10^?12 are reported.     

Evidence for Potassium-Sucrose Interaction in Biological Mid-Infrared Spectra by Multidimensional Analysis

Complex-formation between carbohydrates and cations could have important biological implications.

In this work, Mid-Infrared spectra of pure sucrose solutions and of biological solutions containing sucrose and potassium ions (K+) were investigated by Principal Component Analysis (PGA).

By direct examination of the Mid-Infrared spectra of the biological solutions containing K⁺ ions, no interactions between the cations and sucrose molecules could be observed. However, when the spectral pattern obtained by PCA and which is associated with sucrose, was examined, splitting and shifts in the characteristic absorption bands were observed owing to interactions between sucrose molecules and K⁺ ions. The 997 cm-1 peak which had a visible shoulder at 991 cm-1 and that is observed in pure solutions, was decomposed in the biological solutions into 3 distinct peaks at 1004, 996 and 990 cm-1. The two peaks centered at 1053 cm-1 were split into 3 peaks: 1060, 1051, 1045 cm-1. Hence by PCA, shoulders were characterized in biological solutions and more distinct peaks could be observed. These split and shift phenomena are similar to those obtained when crystalline sugar salts were investigated. This type of interaction, involving potassium ions and sucrose molecules, would be responsible for the storage of this cation which role is essential in plant metabolism.     

Diffusion of Butylated Hydroxy Toluol (BHT) in PVC Films

Abstract

The diffusion coefficient of butylated hydroxy toluol (BHT) in solvent casted PVC films from tetrahydrofurane (THF) was studied by UV spectroscopy. Diffusion coefficient of BHT in PVC at 140, 160 and 180°C were determined as 1.0 × 10^?12 3.0 × 10^?12 and 6.0 × 10^?12 m²/s. The activation energy of diffusion (E_a) was 66 kj/mol.

IR spectroscopic work showed that the complete removal of THF was possible by heating films 15 minutes at 140 °C, but that caused formation of C=0 groups in PVC. No dehydrochlorination of films was observed even for heating them at 180 °C for 60 minutes.

Antioxidant BHT is volatile at high temperatures, so it is not advisable to use it for high temperature applications.     

Spectroscopic and Electrochemical Studies on the Interaction of Carmoisine Food Additive with Native Calf Thymus DNA

ABSTRACT

In this work, for the first time interaction between a carmoisine food additive and native calf thymus DNA was monitored using UV-Vis absorption, fluorescence, and circular dichroism (CD) spectroscopy, as well as cyclic voltammetry and viscosity measurements. It can be concluded that carmoisine could interact with DNA via a groove-binding mode as evidenced by a hyperchromic effect of absorption spectra, increases in the fluorescence quenching effect of DNA, certain induced CD spectral changes, and relatively small changes in the viscosity of DNA. The binding constants (K_b) for the carmoisine with DNA was estimated to be 6.2 × 10⁴ M^?1 through spectroscopic titrations. The cyclic voltammetry method showed that both anodic and cathodic peak currents of carmoisine decreased upon addition of the DNA. Circular dichroism spectra indicated that there are certain detectable conformational changes such as conversion from B-like to A-like in the DNA double helix when carmoisine was added.     

A high-sensitivity photonic crystal fiber (PCF) based on the surface plasmon resonance (SPR) biosensor for detection of density alteration in non-physiological cells (DANCE)

A highly sensitive photonic crystal fiber based on the surface plasmon resonance (PCF-SPR) biosensor for the detection of the density alteration in non-physiological cells (DANCE) is described. Human acute leukemia cells are determined by the discontinuous sucrose gradient centrifugation (DSGC) in which the cells are separated into several bands. The separated cells with different intracellular densities and refractive indexes (RI) ranging from 1.3342 to 1.3344 are distinguished in situ by means of the differential transmission spectrum. The biosensor shows a maximum amplitude sensitivity of 2000?nm/RIU and resolution as high as 5?×?10^?5?RIU. According to the wavelength interrogation method, a maximum spectral sensitivity of 9000?nm/RIU in the sensing range between 1.33 and 1.53 is achieved, corresponding to a resolution as high as 1.11?×?10^?5?RIU for the biosensor. The proposed PCF-SPR biosensor has promising application in biological and biochemical detection.     

Synthesis,Spectral Characterization,DNA Binding Studies and Antimicrobial Activity of Co(II), Ni(II), Zn(II), Fe(III) and VO(IV) Complexes with 4-Aminoantipyrine Schiff Base of Ortho-Vanillin

A series of transition metal complexes of Co(II), Ni(II), Zn(II), Fe(III) and VO(IV) have been synthesized involving the Schiff base, 2,3-dimethyl-1-phenyl-4-(2-hydroxy-3-methoxy benzylideneamino)-pyrazol-5-one(L), obtained by condensation of 4-aminoantipyrine with 3-methoxy salicylaldehyde. Structural features were obtained from their FT-IR, UV–vis, NMR, ESI Mass, elemental analysis, magnetic moments, molar conductivity and thermal analysis studies. The Schiff base acts as a monovalent bidentate ligand, coordinating through the azomethine nitrogen and phenolic oxygen atom. Based on elemental and spectral studies six coordinated geometry is assigned to Co(II), Ni(II), Fe(III) and VO(IV) complexes and four coordinated geometry is assigned to Zn(II) complex. The interaction of metal complexes with Calf thymus DNA were carried out by UV–VIS titrations, fluorescence spectroscopy and viscosity measurements. The binding constants (K_b) of the complexes were determined as 5?×?10⁵ M^?1 for Co(II) complex, 1.33?×?10⁴ M^?1 for Ni(II) complex, 3.33?×?10⁵ M^?1 for Zn(II) complex, 1.25?×?10⁵ M^?1 for Fe(III) complex and 8?×?10⁵ M^?1 for VO(IV) complex. Quenching studies of the complexes indicate that these complexes strongly bind to DNA. Viscosity measurements indicate the binding mode of complexes with CT DNA by intercalation through groove. The ligand and it’s metal complexes were screened for their antimicrobial activity against bacteria. The results showed the metal complexes to be biologically active, while the ligand to be inactive.     

Annealing of arsenic-and antimony-implanted silicon single crystals using A CW xenon arc lamp

Abstract

Continuous, incoherent light from a xenon arc lamp has been used to anneal radiation damage in <100> silicon single crystals produced by implantation of 30?keV arsenic or antimony ions to doses between 1×10¹⁵ cm^?2 and 1×10¹⁶ cm^?2. The recrystallized layers have been characterized by Rutherford-backscattering spectroscopy, ion-channeling, Transmission Electron Microscopy, and sheet-resistivity measurements.     

Synthesis of Ag metallic nanoparticles by 120 keV Ag− ion implantation in TiO2 matrix

TiO₂ thin film synthesized by the RF sputtering method has been implanted by 120 keV Ag^? ion with different doses (3?×?10¹⁴, 1?×?10¹⁵, 3?×?10¹⁵, 1?×?10¹⁶ and 3?×?10¹⁶ ions/cm²). Further, these were characterized by Rutherford back Scattering, XRD, X-ray photoelectron spectroscopy (XPS), UV–visible and fluorescence spectroscopy. Here we reported that after implantation, localized surface Plasmon resonance has been observed for the fluence 3?×?10¹⁶ ions/cm², which was due to the formation of silver nanoparticles. Ag is in metallic form in the matrix of TiO₂, which is very interestingly as oxidation of Ag was reported after implantation. Also, we have observed the interaction between nanoparticles of Ag and TiO₂, which results in an increasing intensity in lower charge states (Ti³⁺) of Ti. This interaction is supported by XPS and fluorescence spectroscopy, which can help improve photo catalysis and antibacterial properties.     

A New Spectrophotometric Method with Di-2-Pyridyl Ketone Benzoylhydrazone for Determination of Nickel(II)

Abstract

Nitrogen-containing heterocyclic hydrazones have been used as analytical reagents, mainly to metallic ion spectrophotometric determinations in natural water samples. Using the reagent di-2-pyridil ketone benzoilhydrazone (DPKBH) we have developed a spectrophotometric method for the determination of Ni(II) in samples of several sources. DPKBH was used in excess in order to coordinate Ni(II) and the highest sensitivity was obtained in 50% v/v ethanol solutions when ammonium acetate buffer was added to maintain pH?6.

Analysis for Ni(II) in natural water is frequently performed by EAAS following preconcentration involving solvent extraction. While these methods are sensitive, they also require relatively expensive instrumentation and are generally time-consuming. In contrast, the advantages of the proposed method are the use of simple instrumentation and the possibility of its application in the field. The method is fast, shows high sensitivity, good precision and several samples can be prepared and measured until 10 hours later .

The best order for the addition of reagents, stability of the complex, effect of the reagents excess and foreign ions besides composition of the complex are here reported. A linear behavior was observed between absorbance and nickel concentration. The favorable range is 8.50×10^?7 to 1.72×10^?5 mol.L^?1. The correlation coefficient is 0.997. The intercept of the linear curve is 3.55×10^?3 and the slope is 4.00×10⁴cm^?1.moI^?1.L. The standard error of the intercept and slope is 3.73×10^?3 and 4.48×10^?4, respectively.     

Radiative transition of hydrogen-like ions in quantum plasma

At fusion plasma electron temperature and number density regimes of 1?×?10³–1?×?10⁷?K and 1?×?10²⁸–1?×?10³¹/m³, respectively, the excited states and radiative transition of hydrogen-like ions in fusion plasmas are studied. The results show that quantum plasma model is more suitable to describe the fusion plasma than the Debye screening model. Relativistic correction to bound-state energies of the low-Z hydrogen-like ions is so small that it can be ignored. The transition probability decreases with plasma density, but the transition probabilities have the same order of magnitude in the same number density regime.     

Fourier Transform Mid-Infrared Photoacoustic Spectroscopy for Presymptomatic Detection of Powdery Mildew Infection in Rubus corchorifolius L.

A powdery mildew fungi-induced disease appearing on leaves of Rubus corchorifolius L. has been observed in China, which resulted in seriously influencing the yield and quality of the fruit, and a presymptomatic detection of powdery mildew infection is needed to guarantee the yield and quality through removing the fungi in an early stage. Depth-profiling Fourier transform mid-infrared photoacoustic spectroscopy was applied to characterize both the healthy leaves and powdery mildew-infected leaves of Rubus corchorifolius L. The profiled surface could be divided into out layer (depth of about 1.32 µm) and deep layer (depth of about 1.87 µm). There were numerous differences in the total spectral range (500–4000 cm^?1) between healthy leaves and infected leaves, especially the intensity of absorption bands of 2800–3000 cm^?1 (aliphatic C–H vibration) and 2250–2350 cm^?1 (CO₂) significantly decreased when the leaf was infected by powdery mildew. For the out layer the standard spectral variance between healthy leaf and infected leaf was 7.33 × 10², whereas it was 1.86 × 10⁴ for the deep layer; the standard spectral variance between out layer and deep layer for healthy leaf was 3.38 × 10³, whereas it was 1.84 × 10⁴ for infected leaf, which implied that both out layer and deep layer responded to powdery mildew infection. Combining spectral differences between healthy leaf and infected leaf and variances between out layer and deep layer, a presymptomatic detection of powdery mildew infection was successfully made, which provided an alternative option and noninvasive method for the fast diagnosis of powdery mildew infection on Rubus corchorifolius L.     

Changes in Structural and Optical Properties of Polycarbonate Induced by Ag+ Ion Implantation

Transparent polycarbonate samples were implanted with 1 MeV Ag⁺ ions to various doses ranging from 5 × 10¹⁴ to 3 × 10¹⁶ ions cm^?2 with a beam current density of 900 nA cm^?2. Modification in the structure of polycarbonate as a function of the implantation fluence was investigated using micro-Raman spectroscopy, glancing angle X-ray diffraction, and UV-Vis spectroscopy. Raman spectroscopy pointed toward the formation of graphite structures/clusters due to the ion implantation. UV-Vis absorption analysis suggests the formation of a carbonaceous layer and a drastic decrease in optical band gap from 4.12 eV to 0.50 eV at an implanted dose of 3 × 10¹⁶ ions cm^?2. The correlation between the decrease in band gap and the structural changes is discussed.     

Highly sensitive and selective fluorescent “turn-on” probe for determination of aluminum ion in aqueous solution

ABSTRACT

A novel fluorescent sensor, 1-((2-hydroxynaphthalen-1-yl)methylene) semicarbazide, was synthesized and characterized by infrared spectra, elemental analysis, electrospray ionization mass spectra. The fluorescent sensing behaviors of the sensor toward different metals ions, anions, and amino acids were determined by UV–vis and fluorescence spectroscopy. The fluorescent sensor exhibited obvious changes in its electronic and fluorescent spectral behavior in the visible region of the spectrum in the presence of aluminum ion with the lower detection limit was 8.9 × 10^?9 M.     

Laser ablation of silver in different liquids: Optical and nonlinear optical properties of silver nanoparticles

The optical, structural, and nonlinear optical properties of silver nanoparticles prepared using the method of laser ablation in various liquids at wavelengths of 397, 532, and 795 nm with laser pulses of different duration are studied. An analysis of the dimensional and spectral characteristics of the silver nanoparticles revealed a time dynamics of the nanoparticle size distribution in solutions. It is shown that thermal self-defocusing is observed for the case of nanosecond or shorter pulses generated with a high repetition rate. For picosecond and femtosecond pulses with a low repetition rate, the effects of self-focusing (γ = 3 × 10^?13 cm² W^?1) and saturated absorption (β = ?1.5 × 10^?9 cm W^?1) were observed in the solutions under study. The third-order nonlinear susceptibility of the silver nanoparticles was found to be 5 × 10^?8 esu at a wavelength of 397 nm.     

Infrared and Raman Spectra of bis-Thiourea Lead(II) Chloride

Abstract

PbCl₂.2[(SC(NH₂)₂] is an important complex for environmental chemistry. Single crystals were studied using infrared absorption, and Raman spectroscopy in low temperature conditions (10 K). Assignments of the lead complex bands were made by searching correlations and group frequencies with separate PbCl₂ and thiourea spectra in the solid state. Lattice modes separation was achieved down to 20 cm^?1 in Raman and down to 50 cm^?1 with far infrared spectroscopy. Spectral signatures of the unusual seven-coordinated lead in the complex were tentatively determined and are in accordance with structural data.

     

Spectral characteristics and nonlinear studies of methyl violet 2B dye in liquid and solid media

Solid-state dye-doped polymers are attractive alternatives to the conventional liquid-dye solutions. In this paper, the spectral characteristics and nonlinear properties of the dye Methyl violet 2B has been studied. The third-order nonlinear optical properties of Methyl violet 2B dye in ethanol and a dye-doped polymer film were measured by the Z-scan technique. This material exhibits a negative optical nonlinearity. The dye exhibited a nonlinear refractive coefficient (n ₂ = ?4.14 × 10^?7 and ?4.291 × 10^?7 cm²/W in liquid and solid media, respectively), nonlinear absorption coefficient (β = ?4.634 × 10^?3 and ?4.66 × 10^?3 cm/W in liquid and solid media, respectively), and susceptibility (χ⁽³⁾ = 1.88 × 10^?5 and 1.963 × 10^?5 esu in liquid and solid media, respectively). These results show that Methyl violet 2B dye has potential applications in nonlinear optics.     

The study of spectral, temporal, and spatial characteristics of harmonics generated at solid surfaces

Spectral, temporal, and spatial characteristics of harmonics generated at solid surfaces interacting with laser radiation (t=27 ps and I≤1.5×10¹⁵ W/cm²) are studied. Spectral broadening and a long-wavelength shift of the second harmonic were observed for laser radiation intensities exceeding 5×10¹⁴ W/cm². Results of the study of the conversion of spectral parameters and polarization features for the generation of second and third harmonics are presented. Conversion efficiencies for the second, third, and fourth harmonic are 2×10^?8, 10^?10, and 5×10^?12, respectively. The results obtained are compared with data of analogous studies utilizing shorter pulses.     

The effect of LiCF<Subscript>3</Subscript>SO<Subscript>3</Subscript> on the complexation with potato starch-chitosan blend polymer electrolytes

This work examines the effect of lithium trifluoromethanesulfonate (LiCF₃SO₃) and glycerol on the conductivity and dielectric properties of potato starch-chitosan blend-based electrolytes. The electrolytes are prepared via solution cast technique. From X-ray diffraction (XRD) analysis, the blend of 50 wt.% starch and 50 wt.% chitosan is found to be the most amorphous blend. Fourier transform infrared (FTIR) spectroscopy studies show the interaction between the electrolyte materials. The room temperature conductivity of pure starch-chitosan film is found to be (2.85 ± 1.31) × 10^?10 S cm^?1. The incorporation of 45 wt.% LiCF₃SO₃ increases the conductivity to (7.65 ± 2.27) × 10^?5 S cm^?1. Further conductivity enhancement up to (1.32 ± 0.35) × 10^?3 S cm^?1 has been observed on addition of 30 wt.% glycerol. This trend in conductivity is verified by XRD and dielectric analysis. The temperature dependence of conductivity of all electrolytes are Arrhenian.