Oxidative Deprotection of Silylethers,Acetals and Ketals by Oxygen or Air in Presence of Manganese and Cobalt Salts of 4-Aminobenzoic Acid Supported on Silica Gel as Catalyst

Oxidative deprotection of silylethers, acetals and ketals to their corresponding alcohols, aldehydes and ketones have been achieved using oxygen or air in the presence of cobalt and manganese salts of 4-aminobenzoic acid supported an silica gel as catalysts. Reactions are clean and catalysts can be recovered easily and reused repeatedly.     

MODULEWRITER: a program for automatic generation of database interfaces

MODULEWRITER is a PERL object relational mapping (ORM) tool that automatically generates database specific application programming interfaces (APIs) for SQL databases. The APIs consist of a package of modules providing access to each table row and column. Methods for retrieving, updating and saving entries are provided, as well as other generally useful methods (such as retrieval of the highest numbered entry in a table). MODULEWRITER provides for the inclusion of user-written code, which can be preserved across multiple runs of the MODULEWRITER program.     

LMG model: Markovian evolution of classical and quantum correlations under decoherence

We have investigated the quantum phase transition in the ground state of collective Lipkin-Meshkov-Glick model (LMG model) subjected to decoherence due to its interaction, represented by a quantum channel, with an environment. We discuss the behavior of quantum and classical pair wise correlations in the system, with the quantumness of correlations measured by quantum discord (QD), entanglement of formation (EOF), measurement-induced disturbance (MID) and the Clauser-Horne-Shimony-Holt-Bell function (CHSH-Bell function). The time evolution established by system-environment interactions is assumed to be Markovian in nature and the quantum channels studied include the amplitude damping (AD), phase damping (PD), bit-flip (BF), phase-flip (PF), and bit-phase-flip (BPF) channels. One can identify appropriate quantities associated with the dynamics of quantum correlations signifying quantum phase transition in the model. Surprisingly, the CHSH-Bell function is found to detect all the phase transitions, even when quantum and classical correlations are zero for the relevant ground state.     

Theoretical study of reaction mechanism for Se + O<Subscript>3</Subscript>

The reaction mechanism of Se + O₃ on the singlet potential energy has been investigated at CCSD(T)/6-311++G(2df,2pd) level of theory based on the geometric parameters optimized at the B3LYP/6-311++G(3df,3pd) level of theory. The calculated results show that the reactants are firstly associated into the adduct Se–O₃ with any intrinsic barrier. Subsequently, through a variety of transformations of isomer Se–O₃, two kinds of products P₁(SeO₃(D_3h)) and P₂(SeO + ³O₂) are obtained. The breakage and formation of the chemical bonds in the reaction have been studied by the topological analysis of electronic density. The topological analysis results show that the ring transitional structure region does not only occur in cis-OSeOO → SeO₃(C_s) process but also occur in SeO₃(C_s) → SeO₃(D_3h).     

Development of a sensitive and selective Riboflavin sensor based on carbon ionic liquid electrode

The electrochemical properties of Riboflavin adsorbed on carbon ionic liquid electrode (CILE) were studied by cyclic voltammetry. A film with a surface coverage of up to 3.3 × 10⁻⁹ mol cm⁻² was formed after 10 min exposure time. Electron transfer coefficient and rate constant of electron transfer across the modified electrode were found to be 0.43 and 3.03 s⁻¹, respectively. Differential pulse voltammetry was used for the determination of Riboflavin. Two linear working ranges of 0.8-110 nM and 0.11-1.0 μM were obtained with correlation coefficients of 0.998 and 0.996, respectively. The experimental detection limit was obtained as 0.1 nM. The relative standard deviation for five replicate analyses was 4.7%. Other soluble vitamins had no significant interferences and the electrode was used for the determination of Riboflavin in pharmaceutical products, nutrition and beverages.     

Existence of global solutions to nonlinear fuzzy Volterra integro-differential equations

In this paper, we introduce new solutions for fuzzy differential equations as mixed solutions, and prove the existence and uniqueness of global solutions for fuzzy initial value problems involving integro-differential operators of Volterra type. One example is also given by applying mixed solution concept to fuzzy linear differential equations for obtaining their global solutions.     

Theoretical study of substituents effects on characteristics of resonance-assisted hydrogen bond in (Z)-(thionitrosomethylene)hydrazine and its derivatives in ground and electronic excited state

The molecular geometry, intramolecular hydrogen bond strength, vibrational frequencies, ¹H NMR chemical shift, and nuclear quadrupole resonance parameters of ¹⁴N, ³⁵S and ²H atoms and several well-established indices of aromaticity in (Z)-(thionitrosomethylene)hydrazine molecule and its derivatives were studied by density functional theory method. The results of calculations were obtained at B3LYP/6-311++G** level of approximation on model species, with the resonance-assisted hydrogen bonds. A set of simple and mostly common substituents having different properties in resonance effect according to values of substituents constants were chosen to simulate the influence of substitution in R position of title molecule on the quasi-delocalization and H-bonding. The following substituents have been taken into consideration: F, Cl, NO₂, OCH₃, OCF₃, SCH₃, SH, and OH. The excited-state properties of intramolecular hydrogen bonding in substituted systems have been investigated theoretically using the time-dependent density functional theory method. Also, the possible charge transfer and the topological properties of investigated molecule and its derivatives were studied by means of natural bond orbital and atoms in molecules (AIM) theory. The energy of the N–H···S interactions studied here was found medium in strength ( \( E_{\text{HB}}^{*} \)  = ?36.5 to ?45.3 kJ mol^?1). The electron density (ρ), Laplacian (?² ρ) properties and the total electron energy density (HC), estimated by AIM calculations, indicate that H···S bond possesses low ρ, positive ?² ρ and HC < 0 which are in agreement with partially covalent character of HB.     

基于纳米结构的电化学传感器同时测定溶液中异丙肾上腺素、尿酸和叶酸的浓度(英文)

A carbon paste electrode modified with 2‐((7‐(2,5-dihydrobenzylideneamino)heptylimino)methyl) benzene‐1,4‐diol(DHB) and carbon nanotubes were used to simultaneously determine the concen-trations of isoproterenol(IP), uric acid(UA), and folic acid(FA) in solution. First, cyclic voltammetry was used to investigate the redox properties of the modified electrode at various scan rates. Next, the mediated oxidation of IP at the modified electrode is described. At the optimum pH of 7.0, the oxidation of IP occurs at a potential about 90 mV less than that of an unmodified carbon paste elec-trode. Based on the results of differential pulse voltammetry(DPV), the oxidation of IP showed a dynamic range between 10 and 6000 μmol/L, and a detection limit of 1.24 μmol/L. Finally, DPV was used to simultaneously determine the concentrations of IP, UA, and FA in solution at the modified electrode.     

Bismuth and Bismuth-Chitosan modified electrodes for determination of two synthetic food colorants by net analyte signal standard addition method

In this paper, an electrochemical application of bismuth film modified glassy carbon electrode for azo-colorants determination was investigated. Bismuth-film electrode (BiFE) was prepared by ex-situ depositing of bismuth onto glassy carbon electrode. The plating potential was ?0.78 V (vs. SCE) in a solution of 0.15 mg mL^?1 Bi(III) and 0.05 mg mL^?1 KBr for 180 s. In the next step, a thin film of chitosan was deposited on the surface of bismuth modified glassy carbon electrode, thus the bismuth-chitosan thin film modified glassy carbon electrode (Bi-CHIT/GCE) was fabricated and compared with bare GCE and bismuth modified GCE. Azo-colorants such as Sunset Yellow and Carmoisine were determined on these electrodes by differential pulse voltammetry. Due to overlapping peaks of Sunset Yellow and Carmoisine, simultaneous determination of them is not possible, so net analyte signal standard addition method (NASSAM) was used for this determination. The results showed that coated chitosan can enhance the bismuth film sensitivity, improve the mechanical stability without caused contamination of surface electrode. The Bi-CHIT/GC electrode behaved linearly to Sunset Yellow and Carmoisine in the concentration range of 5×10^?6 to 2.38×10^?4 M and 1×10^?6 to 0.41×10^?4 M with a detection limit of 10 µM (4.52 µg mL^?1) and 10 µM (5.47 µg mL^?1), respectively      

Electronic structures, intramolecular interactions, and aromaticity of substituted 1-(2-iminoethylidene) silan amine: a density functional study

The intramolecular hydrogen bond, molecular structure, π electrons delocalization, and vibrational frequencies in 1-(2-iminoethylidene) silan amine and its derivatives have been investigated by means of density functional method with 6-311++G** basis set, in gas phase, water, and carbon tetrachloride solutions. The obtained results showed that the hydrogen bond strength is mainly governed by resonance variations inside the chelate ring induced by the substituent groups. Furthermore, the topological properties of the electron density distributions for N–H···N intramolecular hydrogen bond were analyzed in terms of the Bader's theory of atoms in molecules. On the other hand, the aromaticity of the ring formed is measured using several well-established indices of aromaticity such as nucleus-independent chemical shift, harmonic oscillator models of the aromaticity, para-delocalization index, average two-center indices, aromatic fluctuation index, and π-fluctuation aromatic index. Natural population analysis data, the electron density and Laplacian properties, as well as γ(NH) and ν(NH) were further used for estimation of the hydrogen bonding interactions and the forces driving their formation.