Experimental and molecular modeling investigation of (E)-N-{2-[(2-hydroxybenzylidene)amino]phenyl}benzenesulfonamide

The Schiff base compound (E)-N-{2-[(2-hydroxybenzylidene)amino]phenyl}benzenesulfonamide has been synthesized and characterized by IR, NMR and Uv-vis spectroscopies, and single-crystal X-ray diffraction technique. In addition, quantum chemical calculations employing density functional theory (DFT) method with the 6–311++G(d,p) basis set were performed to study the molecular, spectroscopic and some electronic structure properties of the title compound, and the results were compared with the experimental findings. There exists a good correlation between experimental and theoretical data. Enol-imine/keto-amine tautomerization mechanism was investigated in the gas phase and in solution phase using the polarizable continuum model (PCM) approximation. The energetic and thermodynamic parameters of the enol-imine?→?keto-amine transfer process show that the single proton exchange is thermodynamically unfavored both in the gas phase and in solution phase. However, the reverse reaction seems to be feasible with a low barrier height and is supported by negative values in enthalpy and free energy changes both in the gas phase and in solution phase. The solvent effect is found to be sizable with increasing polarity of the solvents for the reverse reaction. The predicted nonlinear optical properties of the compound are found to be much greater than those of urea.     

Field-theoretic methods in strongly-coupled models of general gauge mediation

An often-exploited feature of the operator product expansion (OPE) is that it incorporates a splitting of ultraviolet and infrared physics. In this paper we use this feature of the OPE to perform simple, approximate computations of soft masses in gauge-mediated supersymmetry breaking. The approximation amounts to truncating the OPEs for hidden-sector current–current operator products. Our method yields visible-sector superpartner spectra in terms of vacuum expectation values of a few hidden-sector IR elementary fields. We manage to obtain reasonable approximations to soft masses, even when the hidden sector is strongly coupled. We demonstrate our techniques in several examples, including a new framework where supersymmetry breaking arises both from a hidden sector and dynamically. Our results suggest that strongly-coupled models of supersymmetry breaking are naturally split.     

Experimental NMR and MS study of benzoylguanidines. Investigation of E/Z isomerism

Molecules containing the guanidinic nuclei possess several pharmacological applications, and knowing the preferred isomers of a potential drug is important to understand the way it operates pharmacologically. Benzoylguanidines were synthesized in satisfactory to good yields and characterized by NMR, Electrospray Ionization Mass Spectrometry (ESI‐MS) and Fourrier Transform InfraRed Spectroscopy techniques (FTIR). E/Z isomerism of the guanidines was studied and confirmed by NMR analysis in solution (¹H‐¹³C Heteronuclear Single Quantum Coherence (HSQC) and Heteronuclear Multiple‐Bond Correlation (HMBC), ¹H‐¹⁵N HMBC, ¹H‐¹H Correlation Spectroscopy (COSY) and Nuclear Overhauser Effect Spectroscopy (NOESY) experiments) at low temperatures. Compounds with p‐Cl and p‐Br aniline moiety exist mainly as Z isomer with a small proportion of E isomer, whereas compounds with p‐NO2 moiety showed a decrease in proportion of isomer Z. The results are important for the application of these molecules as enzymatic inhibitors. Copyright © 2013 John Wiley & Sons, Ltd.     

On the Strategy of NMR Spectral Analysis. The 1H-NMR Spectrum of Amphetamine

The successive steps of the computer analysis of a NMR spectrum are examined. Better results can be obtained by direct simulation of tentative model spectra. As an example the ¹H-NMR spectrum of amphetamine is analysed.     

Radioactivity concentrations in topsoil samples from the Thrace region of Turkey and assessment of radiological hazard

The activity concentrations of gamma emitting radionuclides were measured in surface soil samples from the Thrace region. ²³²Th, ²³⁸U, ²²⁶Ra, ⁴⁰K and ¹³⁷Cs activities and physico-chemical parameters of the soil samples were determined in samples collected from 73 sampling stations. Radionuclide concentrations measured were compared with those found in the samples from other locations of Turkey and from different countries. The average activity concentrations of ²³²Th, ²³⁸U, ²²⁶Ra, ⁴⁰K and ¹³⁷Cs were found to be 24.71 ± 8.79, 22.30 ± 7.93, 32.09±12.44, 509.00±160.05, 32.74±29.24 Bq kg^?1, respectively. The mean value of the annual effective dose equivalent from the outdoor terrestrial gamma radiation was calculated as 57.2 μ Sv.     

Sample Preparation for the Determination of Metals in Food Samples Using Spectroanalytical Methods—A Review

Abstract

The present article gives an overview of recent publications and modern techniques of sample preparation for food analysis employing atomic and inorganic mass spectrometric techniques, such as flame atomic absorption spectrometry, chemical vapor generation atomic absorption and atomic fluorescence spectrometry, graphite furnace atomic absorption spectrometry, inductively coupled plasma optical emission spectrometry, and inductively coupled plasma mass spectrometry. Among the most frequently applied sample preparation techniques for food analysis are dry ashing, usually with the addition of an ashing aid, and acid digestion, preferably with the assistance of microwave energy. Slurry preparation, particularly with the assistance of ultrasound, is increasingly used to reduce acid consumption and sample preparation time. Direct analysis of solid samples is gaining importance in the field of food analysis as it offers the highest sensitivity, avoids the use of acids and other aggressive reagents, makes possible the analysis of micro‐samples, and can be applied for fast screening analysis, e.g., of fresh meat.     

Application of FTIR Spectroscopy for Identification of Blood and Leukemia Biomarkers: A Review over the Past 15 Years

Abstract

Fourier transform infrared (FTIR) spectroscopy is an effective and nondestructive method for monitoring cellular alterations. Combining the advantages of FTIR spectroscopy with the challenge of cellular characterization, the main objective of this review is to collect information related to the spectroscopic identification of blood cells, focusing on specific biochemical features of leukemia cells detected through FTIR spectral analysis. Some interesting results obtained by different authors regarding human promyelocytic leukemia, white blood cells, chronic lymphocytic leukemia, and human peripheral blood mononuclear cells are presented. In addition, the characterization of two types of cells, namely, leukemia T and a healthy human blood cells, is reported and the identification of biochemical markers provides important information that, associated with clinical examination, can assist in the diagnosis of diseases.     

Room temperature magnetocaloric effect in Pr1.75Sr1.25Mn2O7 double-layered perovskite manganite system

Abstract

In this work, we have studied on double-layered perovskite (Ruddlesden–Popper) manganite structure in Pr_1.75Sr_1.25Mn₂O₇ synthesised by sol–gel method. The crystal structure of the double-layered perovskite is found as tetragonal from the X-ray diffraction analysis with I4/mmm space group. A high Curie temperature, T_C = 305 K is observed from the temperature dependence of magnetisation measurement. The isothermal magnetisation curves showed that magnetic phase transition is second order due to the positive slope of the Arrott plots. Maximum magnetic entropy change (ΔS_M) and adiabatic temperature change (ΔT_ad) values are calculated as 3.99 J kg^?1 K^?1 and 2.1 K under external magnetic field of 70 kOe, respectively. Since our double-layered perovskite manganite sample has desired T_C value and relatively high ΔS_M, it can be a potential candidate as a magnetocaloric material for room temperature magnetic cooling systems.     

Controle de l'enrichissement de l'uranium metallique a l'aide du nitrate de cellulose

Abstract

Le nitrate de cellulose permet d'enregistrer le passage de particules α done de mesurer l'activité spécifique d'une source radioactive épaisse. Nous utilisons cette propriété pour mesurer le taux d'eorichissement en uranium 235 d'un éhantillon d'uranium métallique. Afin de faciliter la mesure et de s'affranchir de la lecture du nombre de traces au microscope optique, les échantillons sont révélés dans un bain spécial et le nombre de traces α par unité de surface est évalué en fonction du pouvoir réflecteur de l'échantillon.

Les moyens et le temps nécessaires pour une mesure sont, ainsi que le prix de revient, très réduits.

Cellulose nitrate can be used for the registration of α-tracks and therefore for the measurement of the specific activity of thick radioactive sources. This characteristic is applied to the determination of ²³⁵U enrichment rate of metallic uranium samples. For the measurement of track density a method is developed which replaces the counting procedure under a microscope. The samples are etched in special solutions and track density is evaluated from the diffuse reflecting power of the samples.

The main advantages of this method are its rapidity, easiness and low cost.