Yunusa Umar
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View article: Advanced Chemometric Techniques for Environmental Pollution Monitoring and Assessment: A Review
Advanced Chemometric Techniques for Environmental Pollution Monitoring and Assessment: A Review Open
Chemometrics has emerged as a powerful approach for deciphering complex environmental systems, enabling the identification of pollution sources through the integration of faunal community structures with physicochemical parameters and in s…
View article: Theoretical investigation of the conformational preference and spectroscopic analysis of cinnamoyl chloride and cinnamide
Theoretical investigation of the conformational preference and spectroscopic analysis of cinnamoyl chloride and cinnamide Open
The rotational isomers of cinnamoyl chloride and cinnamide have been computed using the B3LYP method and the 6-311++G (d, p) basis set to calculate their molecular structure, conformational stability, and spectroscopic properties. Computat…
View article: The Impact of Substitution of Diphenyl Dialumene on the Molecular Structure and Energetic Properties
The Impact of Substitution of Diphenyl Dialumene on the Molecular Structure and Energetic Properties Open
The molecular structure, energetic properties, electronic, and vibrational spectroscopy of meta-substituted phenyl dialumene, DPD (Ar–Al=Al–Ar; Ar of the formula C6H5X2, where X = H, CH3, NH2, OH, F, Cl, Br, NO2, and COOH) are investigated…
View article: DFT Study of the Molecular Structure, Conformational Preference, Spectroscopic and Vibrational Analysis of Cinnamic Acid and Cinnamaldehyde
DFT Study of the Molecular Structure, Conformational Preference, Spectroscopic and Vibrational Analysis of Cinnamic Acid and Cinnamaldehyde Open
B3YLP with the 6-311++G (d, p) basis set was used to investigate the conformational preference, geometrical structure, and spectroscopic properties of the conformational isomers of cinnamic acid and cinnamaldehyde in gas and in solvents. I…
View article: Theoretical study of electronic and optical properties of functionalized Indigo and Alizarin as potential organic semi-conductors for solar cells applications
Theoretical study of electronic and optical properties of functionalized Indigo and Alizarin as potential organic semi-conductors for solar cells applications Open
The optical and electronic properties of two conjugated organic molecules, Indigo and Alizarin, as potential organic solar cells were studied theoretically. The electronic properties, reorganization energy (λh and λe), adiabatic Ionization…
View article: A DFT and TD-DFT study on emodin and purpurin and their functionalized molecules to produce promising organic semiconductor materials
A DFT and TD-DFT study on emodin and purpurin and their functionalized molecules to produce promising organic semiconductor materials Open
Density functional theory (DFT) computations were done to explore the optical and electronic properties of two conjugated molecules, emodin and purpurin, as potential organic semi-conductors. The molecules were functionalized to explore th…
View article: Investigation of the Molecular Structures, Electronic Properties and Vibrational Spectrum of Trifluoroacetophenone Using Density Functional Theory
Investigation of the Molecular Structures, Electronic Properties and Vibrational Spectrum of Trifluoroacetophenone Using Density Functional Theory Open
Trifluroacetophenone is considered a highly efficient, inexpensive, and green organocatalyst that is used in organic synthesis. Geometry optimization, electronic properties, and frequency calculations of 2,2,2-trifluoroacetophenone are per…
View article: HEADSPACE GAS CHROMATOGRAPHY FOR THE DETERMINATION OF RESIDUAL SOLVENTS IN METFORMIN HYDROCHLORIDE AND HYDROCHLOROTHIAZIDE
HEADSPACE GAS CHROMATOGRAPHY FOR THE DETERMINATION OF RESIDUAL SOLVENTS IN METFORMIN HYDROCHLORIDE AND HYDROCHLOROTHIAZIDE Open
By SK Manirul Haque, Yunusa Umar & 3 more. An accurate analytical method was developed using headspace gas chromatography for the determination of residual solvents in metformin hydrochloride and hydrochlorothiazide.
View article: Application and Suitability of Polymeric Materials as Insulators in Electrical Equipment
Application and Suitability of Polymeric Materials as Insulators in Electrical Equipment Open
In this paper, the applications of thermoplastic, thermoset polymers, and a brief description of the functions of each subsystem are reviewed. The synthetic route and characteristics of polymeric materials are presented. The mechanical pro…
View article: Preparation of pH-Indicative and Flame-Retardant Nanocomposite Films for Smart Packaging Applications
Preparation of pH-Indicative and Flame-Retardant Nanocomposite Films for Smart Packaging Applications Open
There is an increasing demand for sustainable and safe packaging technologies to improve consumer satisfaction, reduce food loss during storage and transportation, and track the quality status of food throughout its distribution. This stud…
View article: DEVELOPMENT, COMPUTATIONAL STUDIES AND VALIDATION OF SPECTROPHOTOMETRIC METHOD OF METFORMIN HYDROCHLORIDE IN PHARMACEUTICAL FORMULATIONS
DEVELOPMENT, COMPUTATIONAL STUDIES AND VALIDATION OF SPECTROPHOTOMETRIC METHOD OF METFORMIN HYDROCHLORIDE IN PHARMACEUTICAL FORMULATIONS Open
Simple, fast, and sensitive spectrophotometric method was developed for the determination of metformin in pharmaceutical formulations. The spectrophotometric procedure was based on the oxidation of metformin with potassium permanganate in …
View article: Theoretical studies of the rotational and tautomeric states, electronic and spectroscopic properties of favipiravir and its structural analogues: a potential drug for the treatment of COVID-19
Theoretical studies of the rotational and tautomeric states, electronic and spectroscopic properties of favipiravir and its structural analogues: a potential drug for the treatment of COVID-19 Open
Favipiravir is a broad spectrum antiviral drug that has shown activity against many viruses. Sequel to the recent outbreak of COVID-19, favipiravir is investigated as one of the potential drugs for the treatment of SARS-CoV-2. To augment t…
View article: Optical and pH-Responsive Nanocomposite Film for Food Packaging Application
Optical and pH-Responsive Nanocomposite Film for Food Packaging Application Open
In this study, a biocompatible and non-toxic pH-responsive composite film was prepared for food packaging application. The films are composed from polyvinyl alcohol as the main polymeric matrix, nanoclay as a reinforcing component, and red…
View article: DFT/QTAIM analysis of favipiravir adsorption on pristine and silicon doped C <sub>20</sub> fullerenes
DFT/QTAIM analysis of favipiravir adsorption on pristine and silicon doped C <sub>20</sub> fullerenes Open
Fullerenes have received attentions due to their versatile properties. Molecular structures and electronic properties namely binding energy, band gap, electrophilicity index and molecular topological analysis were studied for undoped and s…
View article: Polymeric Materials for Conversion of Electromagnetic Waves from the Sun to Electric Power
Polymeric Materials for Conversion of Electromagnetic Waves from the Sun to Electric Power Open
Solar photoelectric energy converted into electricity requires large surface areas with incident light and flexible materials to capture these light emissions. Currently, sunlight rays are converted to electrical energy using silicon polym…
View article: Electrical Properties of Different Polymeric Materials and their Applications: The Influence of Electric Field
Electrical Properties of Different Polymeric Materials and their Applications: The Influence of Electric Field Open
In this chapter, a comprehensive study on the general structure of polymers, their properties and applications has been carried out. In particular, the application of polymers for insulating high‐voltage (HV) equipment has been reported, t…
View article: CCDC 1038518: Experimental Crystal Structure Determination
CCDC 1038518: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1038520: Experimental Crystal Structure Determination
CCDC 1038520: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: A Flexible Optical pH Sensor Based on Polysulfone Membranes Coated with pH-Responsive Polyaniline Nanofibers
A Flexible Optical pH Sensor Based on Polysulfone Membranes Coated with pH-Responsive Polyaniline Nanofibers Open
A new optical pH sensor based on polysulfone (PSU) and polyaniline (PANI) was developed. A transparent and flexible PSU membrane was employed as a support. The electrically conductive and pH-responsive PANI was deposited onto the membrane …
View article: CCDC 983900: Experimental Crystal Structure Determination
CCDC 983900: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: <strong>Polyaniline-Coated Polysulfone Membranes as Flexible Optical pH Sensors</strong>
<strong>Polyaniline-Coated Polysulfone Membranes as Flexible Optical pH Sensors</strong> Open
A new optical pH sensor based on Polysulfone (PSU) and Polyaniline (PANI) was developed. The transparent and flexible PSU membrane was employed as a support. The electrically conductive and pH-responsive PANI was deposited onto the membran…