This article describes the development, implementation, and evaluation of fill in multiple blanks... more This article describes the development, implementation, and evaluation of fill in multiple blanks questions (FIMBQs) in an online auto-graded homework assessments. Different forms of questions that are either numerical or words or both were developed. Results analysis provided feedbacks for formative assessment of teaching and learning.
Conformational stabilities, molecular structures, and vibrational frequencies of 2 and 3-pyrrole... more Conformational stabilities, molecular structures, and vibrational frequencies of 2 and 3-pyrrolecarboxaldehyde are investigated using the density functional theory at the B3LYP/6-311++G** level of theory. From the computations, cis-2-pyrrolecarboxaldehyde is 3.57 kcal/mol thermodynamically more preferable than trans-2-pyrrolecarboxaldehde, and trans-3-pyrrolecarboxaldehyde is found to be more preferable than their cis conformer with an energy difference of 0.30 kcal/mol. The computed geometrical parameters are in agreement with the available experimental data. The effect of solvents on the conformational stability of both 2- and 3-pyrrolecarboxaldehydes in nine different solvents are investigated using the polarizable continuum model. The highest occupied and lowest unoccupied molecular orbitals, infrared vibrational wavenumbers and intensities, and molecular electrostatic potentials are reported. Reliable vibrational assignments are proposed based on the potential energy distrib...
Environmental Science and Pollution Research, 2015
The growing global drinking water crisis requires the development of novel advanced, sustainable,... more The growing global drinking water crisis requires the development of novel advanced, sustainable, and cost-effective water treatment technologies to supplement the existing conventional methods. One such technology is advanced oxidation based on dielectric barrier discharge (DBD). DBD such as single and double planar and single and double cylindrical dielectric barrier configurations have been utilized for efficient degradation of recalcitrant organic pollutants. The overall performance of the different DBD system varies and depends on several factors. Therefore, this review was compiled to give an overview of different DBD configurations vis-a-viz their applications and the in situ mechanism of generation of free reactive species for water and wastewater treatment. Our survey of the literature indicated that application of double cylindrical dielectric barrier configuration represents an ideal and viable route for achieving greater water and wastewater purification efficiency.
Hydroformylation of olefins is versatile method and well-established industrial process for the p... more Hydroformylation of olefins is versatile method and well-established industrial process for the production of aldehydes using transition metal complexes as homogeneous catalysts. For any industrial application of homogeneously catalyzed process requires an efficient combination of both a high-yield reaction and efficient catalyst recycling. Rhodium (I) complexes are the most active and selective catalysts for hydroformylation reaction1. The application of thermomorphic multicomponent solvent (TMS) systems, allows for optimal reaction and catalyst separation conditions. We applied HRhCO(PPh3)3/P(OPh)3/propylene carbonate/n-heptane catalytic system to hydroformylation of olefins. The catalytic system shows excellent selectivity toward the desired linear aldehyde (n/i ratio > 8) and high catalytic activity demonstrated by the efficient recycling without significant loss of the catalyst activity. The effect of CO/H2 pressure, ligand/catalyst ratio on activity, selectivity and recycli...
Density Functional Theory (B3LYP) calculations has been successfully used in a variety of conform... more Density Functional Theory (B3LYP) calculations has been successfully used in a variety of conformational studies.1-3 The molecular structures, conformational stability and vibrational wavenumbers of 2-formylfuran and 3-formylfuran have been computed using Density Functional Theory (B3LYP) method with 6-31+G* basis set. All structures have been fully optimized and the optimized geometries, rotational constant, dipole moments, thermodynamic properties and energies are presented. From the computations, both 2-formylfuran and 3-formylfuran were predicted to exist predominantly in trans conformation with the cis-trans rotational barrier of 11.19 kcal/mol and 8.10 kcal/mol, respectively. The vibrational wavenumbers and the corresponding vibrational assignments of the molecules in Cs symmetry were examined and the infrared spectra of the molecules were simulated using the wavenumbers and the corresponding intensities obtained from the computations. The effect of solvents on the conformatio...
ABSTRACT Water pollution through natural and anthro-pogenic activities has become a global proble... more ABSTRACT Water pollution through natural and anthro-pogenic activities has become a global problem causing short-and long-term impact on human and ecosystems. Substantial quantity of individual or mixtures of organic pollutants enter the surface water via point and nonpoint sources and thus affect the quality of freshwater. These pollutants are known to be toxic and difficult to remove by mere biological treatment. To date, most researches on the removal of organic pollutants from wastewater were based on the exploitation of individual treatment process. This single-treatment technology has inherent challenges and shortcomings with respect to efficiency and economics. Thus, application of two advanced treat-ment technologies characterized with high efficiency with respect to removal of primary and disinfection by-products in wastewater is desirable. This review article focuses on the application of integrated technol-ogies such as electrohydraulic discharge with heteroge-neous photocatalysts or sonophotocatalysis to remove target pollutants. The information gathered from more than 100 published articles, mostly laboratories studies, shows that process integration effectively remove and degrade recalcitrant toxic contaminants in wastewater better than single-technology processing. This review recommends an improvement on this technology (inte-grated electrohydraulic discharge with heterogeneous photocatalysts) viz-a-vis cost reduction in order to make it accessible and available in the rural and semi-urban settlement. Further recommendation includes develop-ment of an economic model to establish the cost impli-cations of the combined technology. Proper monitoring, enforcement of the existing environmental regulations, and upgrading of current wastewater treatment plants with additional treatment steps such as photocatalysis and ozonation will greatly assist in the removal of environmental toxicants.
This article describes the development and implementation of auto-grade online chemical equation ... more This article describes the development and implementation of auto-grade online chemical equation questions, created by using Fill in Multiple Blanks question options on the Blackboard Software. Five categories of questions other than multiple choice questions were effectively implemented in online assessments. This kind of questions may be used for large class online home works, tutorials, and proctored-quizzes.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was e... more ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was e... more ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
This article describes the development, implementation, and evaluation of fill in multiple blanks... more This article describes the development, implementation, and evaluation of fill in multiple blanks questions (FIMBQs) in an online auto-graded homework assessments. Different forms of questions that are either numerical or words or both were developed. Results analysis provided feedbacks for formative assessment of teaching and learning.
Conformational stabilities, molecular structures, and vibrational frequencies of 2 and 3-pyrrole... more Conformational stabilities, molecular structures, and vibrational frequencies of 2 and 3-pyrrolecarboxaldehyde are investigated using the density functional theory at the B3LYP/6-311++G** level of theory. From the computations, cis-2-pyrrolecarboxaldehyde is 3.57 kcal/mol thermodynamically more preferable than trans-2-pyrrolecarboxaldehde, and trans-3-pyrrolecarboxaldehyde is found to be more preferable than their cis conformer with an energy difference of 0.30 kcal/mol. The computed geometrical parameters are in agreement with the available experimental data. The effect of solvents on the conformational stability of both 2- and 3-pyrrolecarboxaldehydes in nine different solvents are investigated using the polarizable continuum model. The highest occupied and lowest unoccupied molecular orbitals, infrared vibrational wavenumbers and intensities, and molecular electrostatic potentials are reported. Reliable vibrational assignments are proposed based on the potential energy distrib...
Environmental Science and Pollution Research, 2015
The growing global drinking water crisis requires the development of novel advanced, sustainable,... more The growing global drinking water crisis requires the development of novel advanced, sustainable, and cost-effective water treatment technologies to supplement the existing conventional methods. One such technology is advanced oxidation based on dielectric barrier discharge (DBD). DBD such as single and double planar and single and double cylindrical dielectric barrier configurations have been utilized for efficient degradation of recalcitrant organic pollutants. The overall performance of the different DBD system varies and depends on several factors. Therefore, this review was compiled to give an overview of different DBD configurations vis-a-viz their applications and the in situ mechanism of generation of free reactive species for water and wastewater treatment. Our survey of the literature indicated that application of double cylindrical dielectric barrier configuration represents an ideal and viable route for achieving greater water and wastewater purification efficiency.
Hydroformylation of olefins is versatile method and well-established industrial process for the p... more Hydroformylation of olefins is versatile method and well-established industrial process for the production of aldehydes using transition metal complexes as homogeneous catalysts. For any industrial application of homogeneously catalyzed process requires an efficient combination of both a high-yield reaction and efficient catalyst recycling. Rhodium (I) complexes are the most active and selective catalysts for hydroformylation reaction1. The application of thermomorphic multicomponent solvent (TMS) systems, allows for optimal reaction and catalyst separation conditions. We applied HRhCO(PPh3)3/P(OPh)3/propylene carbonate/n-heptane catalytic system to hydroformylation of olefins. The catalytic system shows excellent selectivity toward the desired linear aldehyde (n/i ratio > 8) and high catalytic activity demonstrated by the efficient recycling without significant loss of the catalyst activity. The effect of CO/H2 pressure, ligand/catalyst ratio on activity, selectivity and recycli...
Density Functional Theory (B3LYP) calculations has been successfully used in a variety of conform... more Density Functional Theory (B3LYP) calculations has been successfully used in a variety of conformational studies.1-3 The molecular structures, conformational stability and vibrational wavenumbers of 2-formylfuran and 3-formylfuran have been computed using Density Functional Theory (B3LYP) method with 6-31+G* basis set. All structures have been fully optimized and the optimized geometries, rotational constant, dipole moments, thermodynamic properties and energies are presented. From the computations, both 2-formylfuran and 3-formylfuran were predicted to exist predominantly in trans conformation with the cis-trans rotational barrier of 11.19 kcal/mol and 8.10 kcal/mol, respectively. The vibrational wavenumbers and the corresponding vibrational assignments of the molecules in Cs symmetry were examined and the infrared spectra of the molecules were simulated using the wavenumbers and the corresponding intensities obtained from the computations. The effect of solvents on the conformatio...
ABSTRACT Water pollution through natural and anthro-pogenic activities has become a global proble... more ABSTRACT Water pollution through natural and anthro-pogenic activities has become a global problem causing short-and long-term impact on human and ecosystems. Substantial quantity of individual or mixtures of organic pollutants enter the surface water via point and nonpoint sources and thus affect the quality of freshwater. These pollutants are known to be toxic and difficult to remove by mere biological treatment. To date, most researches on the removal of organic pollutants from wastewater were based on the exploitation of individual treatment process. This single-treatment technology has inherent challenges and shortcomings with respect to efficiency and economics. Thus, application of two advanced treat-ment technologies characterized with high efficiency with respect to removal of primary and disinfection by-products in wastewater is desirable. This review article focuses on the application of integrated technol-ogies such as electrohydraulic discharge with heteroge-neous photocatalysts or sonophotocatalysis to remove target pollutants. The information gathered from more than 100 published articles, mostly laboratories studies, shows that process integration effectively remove and degrade recalcitrant toxic contaminants in wastewater better than single-technology processing. This review recommends an improvement on this technology (inte-grated electrohydraulic discharge with heterogeneous photocatalysts) viz-a-vis cost reduction in order to make it accessible and available in the rural and semi-urban settlement. Further recommendation includes develop-ment of an economic model to establish the cost impli-cations of the combined technology. Proper monitoring, enforcement of the existing environmental regulations, and upgrading of current wastewater treatment plants with additional treatment steps such as photocatalysis and ozonation will greatly assist in the removal of environmental toxicants.
This article describes the development and implementation of auto-grade online chemical equation ... more This article describes the development and implementation of auto-grade online chemical equation questions, created by using Fill in Multiple Blanks question options on the Blackboard Software. Five categories of questions other than multiple choice questions were effectively implemented in online assessments. This kind of questions may be used for large class online home works, tutorials, and proctored-quizzes.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was e... more ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was e... more ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
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