Constructing a new optical sensor for monitoring ammonia in water samples using bis(acetylacetoneethylendiamine)-tributylphosphin cobalt(III) tetraphenylborate complex-coated triacetylcellulose.

A new ammonia optical sensor was designed using bis(acetylacetoneethylendiamine)tributylphosphin cobalt(III) tetraphenylborate complex, coated on transparent triacetylcellulose film as membrane. The change in the absorbance of the optode at the maximum wavelength of 408 nm was related to ammonia concentration in aqueous samples. A buffer solution with a pH of 9 (sodium borate-HCl) was used. The optode was fully regenerated in pH 2. The linear dynamic range for determination of ammonia was 3.3 x 10(-4) to 6.9 x 10(-3) mol l(-1) with a detection limit of 5.0 x 10(-5) mol l(-1) and a response time range of 4 - 6 min. This membrane was successfully applied for determination of ammonia in drinking water.     

A rate-dependent algebraic stress model for turbulence

Based on the stress transport model, a rate-dependent algebraic expression for the Reynolds stress tensor is developed. It is shown that the new model includes the normal stress effects and exhibits viscoelastic behavior. Furthermore, it is compatible with recently developed improved models of turbulence. The model is also consistent with the limiting behavior of turbulence in the inertial sublayer and is capable of predicting secondary flows in noncircular ducts. The TEACH code is modified according to the requirements of the rate-dependent model and is used to predict turbulent flow fields in a channel and behind a backward-facing step. The predicted results are compared with the available experimental data and those obtained from the standard k-ε and algebraic stress models. It is shown that the predictions of the new model are in better agreements with the experimental data.     

Synthesis of Some Novel 2‐Anilinothiophene, 2,3′‐Bithienyl and Thienylthiopyridine Derivatives Resistance to Penicillium Digitatum Effect the Fruit

Reaction of benzotriazol‐1‐yl acetone 1 with phenyl isothiocyanate followed with α‐chloroacetone or ethyl‐α‐chloroacetate afforded 2‐anilinothiophenes 3 or 4 , respectively. Treatment of 3 with malononitrile at different reaction conditions afforded 6 or 7 . Reaction of 1 with CS₂ in DMF and phenacylbromide afforded S‐alkylated thiophene 10 . Reactions of the latter compound with different active methylene nitriles afforded thienylthiopyridine derivatives 14 and 15 . Condensation of 10 with hydrazine hydrate afforded hydrazon derivative 16 . Reaction of thiophene 17 with formamide in DMF afforded 19 which converted to N‐thienylpyrimidine 20 when treated with malononitrile. The structure of the newly synthesized compounds has been established on the basis of their analytical and spectral data. The compounds were also investigated for antibacterial and antifungal activities.     

Simultaneous Kinetic‐Spectrophotometric Determination of Hydrazine and its Derivatives by Partial Least Squares and Principle Component Regression Methods

Simultaneous kinetic‐spectrophotometric determination of a ternary mixture of hydrazine (HZ) and its derivatives by principal component regression (PCR) and partial least squares (PLS) calibration is described. The methods were based on the difference observed in the reduction rate of iron(III) with HZ, thiosemicarbazide (TSCZ) and phenylhydrazine (PHZ) in the presence of 2,2′‐bipyridine (Bpy). The colored complex of [Fe(Bpy)₃]²⁺ was formed in sodium dodecyl sulfate (SDS) as micellar media, and then monitored at 520 nm. The results showed that simultaneous determination of HZ, TSCZ and PHZ could be performed in their concentration ranges of 1.0–70.0, 0.2–6.0 and 0.1–10.0 μg mL^?1, respectively. The root mean squares errors of prediction (RMSEP) of HZ, TSCZ and PHZ were 0.719, 0.164 and 0.105 (for PLS) 0.788, 0.166 and 0.993 (for PCR), respectively. Both methods (PCR and PLS) were validated using a set of synthetic sample mixtures and then applied for simultaneous determination of HZ, TSCZ and PHZ in water samples.     

New computer program to calculate the symmetry of molecules

In this paper we, present some MATLAB and GAP programs and use them to find the automorphism group of the Euclidean graph of the C₈₀ fullerence with connectivity and geometry of I _h symmetry point group. It is proved that this group has order 120 and is isomorphic to I _h ≊Z₂×A₅, where Z₂ is, a cyclic group of order 2 and A₅ is the alternating group on five symbols.     

Bioaccumulation and biosorption of stable strontium and <Superscript>90</Superscript>Sr by <Emphasis Type="Italic">Oscillatoria homogenea</Emphasis> cyanobacterium

The ability of living filamentous cells of the cyanobacterium Oscillatoria homogenea to separate stable strontium and ⁹⁰Sr from aqueous solution is demonstrated in this study. On a basis of filamentous cell biovolume, the removal were 43.78 nM·ml·(mm³)⁻¹ and 3129.48 mBq·ml·(mm³)⁻¹ after 240 hour incubation. The optimum pH for strontium uptake is 9±0.3. The increasing biovolume of the blue-green alga elevates sorption. In the liquid culture containing 21.2 mm³·ml⁻¹ filamentous cells and 1000 nM·ml⁻¹ initial strontium concentration, the maximum strontium removal was 455.34 nM·ml·(mm³)⁻¹. At 1200 Lux illumination, the maximum removal value was 58.62 nM·ml·(mm³)⁻¹, and at the initial strontium concentration of 6590 nM·ml⁻¹, 235.40 nM·ml·(mm³)⁻¹ removal was observed. The experimental data fitted to Langmuir isotherm and the model parameters and correlation coefficient (R ²) were q _max = 7.143 μg·(mm³)⁻¹, b = 0.003 and 0.99, respectively.     

One-Pot Stereoselective Synthesis of Alkyl Z-2-[2-Amino-4-oxo-1,3-selenazol-5(4H)-yliden] Acetates

Abstract

Selenourea reacts with dialkyl acetylenedicarboxylates in acetone to form 1:1 adducts, which undergo a cyclization reaction to produce alkyl Z-2-(2-amino-4-oxo-1,3-selenazol-5(4H)-yliden) acetates in fairly good yields. The reaction is completely stereoselective.     

Stereoselective Synthesis of Alkyl Z -2-(2-Amino-4-oxo-1,3-thiazol-5(4 H )-yliden)Acetates in Solventless Conditions

Tiourea reacts with dialkyl acetylenedicarboxylates in solventless conditions to form 1:1 adducts, which undergo a cyclization reaction to produce alkyl Z-2-(2-amino-4-oxo-1,3-thiazol-5(4H)-yliden)acetates in fairly good yields. The stereochemistry of the ethyl Z-2-(2-amino-4-oxo-1,3-thiazol-5(4H)-yliden)acetate was established by the use of X-ray single crystal structure analysis. The reaction is completely stereoselective.     

SYNTHESIS OF SOME BICYCLIC OXAZOLO- AND OXAZEPINOPYRIMIDINE DERIVATIVES

Oxazolopyrimidine compounds 2(a–c) and 3(a–e) were synthesized by a simple one-pot condensation reaction of the pyrimidine derivative 1 with 1,2-dibromoethane and 2-bromopropanoic acid, respectively. In a similar way the oxazepinopyrimidine compounds 4(a–b) were synthesized by reaction of 1 and 1,4-dichlorobutane in dioxane under reflux condition. The yields of products following recrystallization were of the order of 55–85%.     

Electronic, Energetic, and Geometric Properties of Methylene-Functionalized C60

Chemical functionalization of C₆₀ fullerene with one to six carbene (CH₂) molecule(s) has been investigated using density functional theory. We have found that the reaction is regioselective so that a CH₂ molecule prefers to be adsorbed atop a C–C bond which is shared between two hexagonal rings of the C₆₀, releasing energy of ?3.95 eV. Singly occupied molecular orbital (SOMO) of the CH₂ interacts with LUMO of the C₆₀ via a [2 + 1] cycloaddition reaction. Energy of the reaction and work function of the system are decreased by increasing the number of adsorbed CH₂ molecules. The HOMO/LUMO energy gap of C₆₀ is slightly changed and the electron emission from its surface is facilitated upon the functionalization.