The effect of electronegative atoms on the structures of hydrocarbons. ab initio calculations on molecules containing fluorine or (carbonyl) oxygen

A series of ab initio calculations have been carried out, using the 4-21G basis set. Ethane and propane were first studied to obtain reference points. The effect of adding an electronegative atom (fluorine, or carbonyl oxygen) onto the framework was then studied as a function of the torsional angle about the single bond. Some pronounced trends in structural changes were observed, and these can in part be correlated with hyperconjugative effects. For example, fluoroethane has bond lengths which are shorter than those in ethane itself, by 0.024 Åin the C C bond, and 0.003 Åin the α C H bonds. These changes are essentially torsionally independent. On the other hand, in propionaldehyde, the C C bond length of the methyl group and the C H bond lengths of the hydrogens attached to the alpha carbon vary as a function of the torsion angle. If the methyl C C bond in the carbonyl plane is taken as a reference, the bond stretches .016 Åwhen the torsion angle is increased to 90°, an α C H bond similarly stretches up to .007 Å. Many of these geometric changes are large, well beyond the experimental errors in modern measurements.     

The spectrophotometric and heterometric determination of some alkaloids as cobaltothiocyanates

Small amounts of papaverine (about 3 mg in 15 ml solution) can be determined heterometrically in the presence of thiocyanate by titration with cobaltous solution. A strong electrolyte (Na₂SO₄) must be added to obtain a clear endpoint. The titration can be carried out in the presence of large amounts (97%) of quinine and ephedrine. The titration takes 2–3 min and the error rarely exceeds 1%.Papaverine, quinine, and ephedrine can be determined individually by spectrophotometry as their cobaltothiocyanates, which are extracted in 30% cyclohexanone in carbon tetrachloride, and the optical density measured at 625 nm. The method is reproducible at milligram levels with a standard deviation of ±0.3% for papaverine and quinine and = 0.5% for ephedrine.     

Analysis of nitrate-perchlorate mixtures by difference spectrophotometry

Nitron and tetraphenylarsonium chloride react with a cobaltous salt in the presence of thiocyanate to form blue ion-association complexes, which can be extracted with organic solvents. This fact has been made the basis for the analysis of mixtures of nitrate and perchlorate by difference spectrophotometry. An aliquot of the sample solution is treated with a known excess of tetraphenylarsonium chloride to precipitate perchlorate only. After separating off the precipitate, the excess of reagent is determined in the supernatant liquid as tetraphenylarsonium cobaltothiocyanate and the perchlorate content can be found from a calibration curve. Another aliquot is treated with an excess of nitron to precipitate both anions; the excess of nitron is then determined as nitron

2. Analysis of Nitrate-Perchlorate Mixtures

     

4.

Evaluation of trace-element pollution in Barada River environment by instrumental neutron activation analysis     

I. Khamis  M. S. Al-Masri  A. Sarheel  N. Al-Somel 《Journal of Radioanalytical and Nuclear Chemistry》2002,251(2):227-231

The impact of tanning and electroplating industry on the eastern part of Barada River environment has been evaluated. Sediment, soil and plant samples were collected from nine sites at the river near the eastern industrial complex during 1999. Results of instrumental neutron activation analysis have shown high levels of Cr in sediment collected near the tanning factories; the highest value obtained being 2692 ppm. In addition, relatively high levels of Cr were also found in the agriculture soil collected near the riverbank in the industrial complex; Cr concentrations varied between 77 ppm and 327 ppm. However, Cr concentrations in plant leaves grown at riverbank were found low and this due to strong bounding of Cr to soil. Other trace metals such as copper and nickel were also high in sediment samples. The highest concentration of copper was about 4000 ppm, which is much higher than the natural levels; electroplating shops are the main source of this element in the area. Furthermore, concentrations of the studied trace metals have decreased as the sampling site distance became far from the industrial complex. In general, other trace elements were found to be at low concentrations, but the obtained data can be used as a baseline for future monitoring.     

5.

Development and Validation of a High-Performance Thin-Layer Chromatographic Method for the Assay of Ternary Mixtures Containing Cetirizine Dihydrochloride in Pharmaceutical Dosage Forms     

Youssef  Rasha M.  Khamis  Essam F.  El-Sayed  Mahmoud A.  Abdel Moneim  Mona M. 《平面色谱法杂志一现代薄层色谱法》2014,27(1):58-65

JPC – Journal of Planar Chromatography – Modern TLC - A highly validated and selective high-performance thin-layer chromatography (HPTLC) method was developed for the determination of...     

6.

Dicyano and pyridine derivatives of β-carotene: synthesis and vibronic, electronic, and photophysical properties     

Cruz AJ  Siam K  Rillema DP 《The journal of physical chemistry. A》2011,115(6):1108-1116

Density functional theory and time-dependent density functional theory calculations provide pictures of the molecular orbitals involved in the ground and excited states of two cyano derivatives of 8'-apo-β-caroten-8'-al synthesized via an acid-base-catalyzed Knoevenagel condensation reaction. Population analysis shows that the symmetry-allowed transition, S(0) ((1)A(g)) → S(2) ((1)B(u)) based on the C(2h) symmetry is a HOMO (highest occupied molecular orbital) to LUMO (lowest unoccupied molecular orbital) π → π* transition with electron densities located mostly on the polyene chain. Calculated and actual steady-state absorption spectra show similar features with low-energy peak maxima between 550 and 600 nm.     

7.

Spectrophotometric determination of nitrate using a difference method     

Salah Shahine  M. Fathy El-Shahat  Soad Khamis 《Analytical and bioanalytical chemistry》1975,277(5):380-380

     

8.

Indirect spectrophotometric determination of perchlorate using nitron as reagent     

Salah Shahine  Soad Khamis 《Microchemical Journal》1975,20(4):409-414

An indirect method is outlined for the spectrophotometric determination of small amounts of perchlorate. Perchlorate is quantitatively precipitated as nitron perchlorate in the presence of excess nitron. After separating off the precipitate, the excess reagent is determined in the supernatant liquid as nitron cobaltothiocyanate. The latter compound is extracted in 30% cyclohexanone in carbon tetrachloride and the absorbance of the extract measured at 625 nm. The method is simple, reproducible, and accurate to ±1%. The interferences of other anions were also investigated.     

9.

The acid-catalyzed hydrolysis of phosphinates. II. The mechanism of hydrolysis of methyl dialkylphosphinates.     

Khamis A. Abbas  Robert D. Cook 《Tetrahedron letters》1975,16(41):3559-3562

     

10.

Existence Result for a Superlinear Fractional Navier Boundary Value Problems     

Habib?Maagli  Abdelwaheb?DhifliEmail author  Abdulah?Khamis?Alzahrani 《Mediterranean Journal of Mathematics》2018,15(2):68

In this paper, we study the following fractional Navier boundary value problem

$$\begin{aligned} \left\{ \begin{array}{lllc} D^{\beta }(D^{\alpha }u)(x)=u(x)g(u(x)),\quad x\in (0,1), \\ \displaystyle \lim _{x\longrightarrow 0}x^{1-\beta }D^{\alpha }u(x)=-a,\quad \,\,u(1)=b, \end{array} \right. \end{aligned}$$

where \(\alpha ,\beta \in (0,1]\) such that \(\alpha +\beta >1\), \(D^{\beta }\) and \(D^{\alpha }\) stand for the standard Riemann–Liouville fractional derivatives and a, b are nonnegative constants such that \(a+b>0\). The function g is a nonnegative continuous function in \([0,\infty )\) that is required to satisfy some suitable integrability condition. Using estimates on the Green’s function and a perturbation argument, we prove the existence of a unique positive continuous solution, which behaves like the unique solution of the homogeneous problem.

     

1 [2] [3] [4] [5] [6] [7] 下一页 » 末  页»

Perchlorate			Nitrate
Taken (μg)	Found (μg)	Error (%)	Taken (μg)	Found (μg)	Error (%)
400	404	+ 1.00	248	250	+0.81
400	400	0.00	496	492	?0.81
400	400	0.00	992	992	0.00
800	796	?0.50	248	248	0.00
600	602	+0.33	248	245	?1.21
800	792	?1.25	496	498	+0.40

Evaluation of trace-element pollution in Barada River environment by instrumental neutron activation analysis

The impact of tanning and electroplating industry on the eastern part of Barada River environment has been evaluated. Sediment, soil and plant samples were collected from nine sites at the river near the eastern industrial complex during 1999. Results of instrumental neutron activation analysis have shown high levels of Cr in sediment collected near the tanning factories; the highest value obtained being 2692 ppm. In addition, relatively high levels of Cr were also found in the agriculture soil collected near the riverbank in the industrial complex; Cr concentrations varied between 77 ppm and 327 ppm. However, Cr concentrations in plant leaves grown at riverbank were found low and this due to strong bounding of Cr to soil. Other trace metals such as copper and nickel were also high in sediment samples. The highest concentration of copper was about 4000 ppm, which is much higher than the natural levels; electroplating shops are the main source of this element in the area. Furthermore, concentrations of the studied trace metals have decreased as the sampling site distance became far from the industrial complex. In general, other trace elements were found to be at low concentrations, but the obtained data can be used as a baseline for future monitoring.     

Development and Validation of a High-Performance Thin-Layer Chromatographic Method for the Assay of Ternary Mixtures Containing Cetirizine Dihydrochloride in Pharmaceutical Dosage Forms

JPC – Journal of Planar Chromatography – Modern TLC - A highly validated and selective high-performance thin-layer chromatography (HPTLC) method was developed for the determination of...     

Dicyano and pyridine derivatives of β-carotene: synthesis and vibronic, electronic, and photophysical properties

Density functional theory and time-dependent density functional theory calculations provide pictures of the molecular orbitals involved in the ground and excited states of two cyano derivatives of 8'-apo-β-caroten-8'-al synthesized via an acid-base-catalyzed Knoevenagel condensation reaction. Population analysis shows that the symmetry-allowed transition, S(0) ((1)A(g)) → S(2) ((1)B(u)) based on the C(2h) symmetry is a HOMO (highest occupied molecular orbital) to LUMO (lowest unoccupied molecular orbital) π → π* transition with electron densities located mostly on the polyene chain. Calculated and actual steady-state absorption spectra show similar features with low-energy peak maxima between 550 and 600 nm.     

Indirect spectrophotometric determination of perchlorate using nitron as reagent

An indirect method is outlined for the spectrophotometric determination of small amounts of perchlorate. Perchlorate is quantitatively precipitated as nitron perchlorate in the presence of excess nitron. After separating off the precipitate, the excess reagent is determined in the supernatant liquid as nitron cobaltothiocyanate. The latter compound is extracted in 30% cyclohexanone in carbon tetrachloride and the absorbance of the extract measured at 625 nm. The method is simple, reproducible, and accurate to ±1%. The interferences of other anions were also investigated.     

Existence Result for a Superlinear Fractional Navier Boundary Value Problems

In this paper, we study the following fractional Navier boundary value problem

$$\begin{aligned} \left\{ \begin{array}{lllc} D^{\beta }(D^{\alpha }u)(x)=u(x)g(u(x)),\quad x\in (0,1), \\ \displaystyle \lim _{x\longrightarrow 0}x^{1-\beta }D^{\alpha }u(x)=-a,\quad \,\,u(1)=b, \end{array} \right. \end{aligned}$$

where \(\alpha ,\beta \in (0,1]\) such that \(\alpha +\beta >1\), \(D^{\beta }\) and \(D^{\alpha }\) stand for the standard Riemann–Liouville fractional derivatives and a, b are nonnegative constants such that \(a+b>0\). The function g is a nonnegative continuous function in \([0,\infty )\) that is required to satisfy some suitable integrability condition. Using estimates on the Green’s function and a perturbation argument, we prove the existence of a unique positive continuous solution, which behaves like the unique solution of the homogeneous problem.