Nasima Arshad - Academia.edu (original) (raw)

Papers by Nasima Arshad

Coordination chemistry reviews, Oct 1, 2024

The Cambridge Structural Database, 2022

PubMed, Apr 1, 2024

Three newly synthesized amantadine thiourea conjugates namely MS-1 N-(((3 s,5 s,7 s)-adamantan-1-... more Three newly synthesized amantadine thiourea conjugates namely MS-1 N-(((3 s,5 s,7 s)-adamantan-1-yl)carbamothioyl)benzamide, MS-2 N-(((3 s,5 s,7 s)-adamantan-1-yl)carbamothioyl)-4-methylbenzamide and MS-3 N-((3 s,5 s,7 s)-adamantan-1-ylcarbamothioyl)-4-chlorobenzamide were investigated for their structures, bindings (DNA/ elastase), and for their impact on healthy and cancerous cells. Theoretical (DFT/docking) and experimental {UV-visible (UV-), fluorescence (Flu-), and cyclic voltammetry (CV)} studies indicated binding interactions of each conjugate with DNA and elastase enzyme. Theoretically and experimentally calculated binding parameters for conjugate - DNA interaction revealed MS-3 - DNA to have most significant binding with comparatively greater values of binding parameters {(Kb/M-1: docking, 3.8 × 105; UV-, 5.95 × 103; Flu-,1.55 × 105; CV, 1.52 × 104), (∆G/ kJmol-1: docking, -32.09; UV-, -22.40; Flu-,-30.81; CV, -24.82)}. The docked structures, greater bindings site size values (n), and the trend in DNA viscosity changes in the presence of each conjugate concentration confirmed a mixed binding mode of interaction among them. Conjugate - elastase binding by docking agreed with the experimental anti-elastase findings. Cytotoxicity studies of each tested conjugate demonstrated greater cytotoxicity for cancerous (MG-U87) cells in comparison to control, while for the normal (HEK-293) cells the cytotoxicity was found comparatively low. Overall exploration suggested that MS-3 is the most effective candidate for DNA binding, anti-elastase, and for anti-glioma activities.

Starch-starke, Jul 28, 2022

Hydrogels are three‐dimensional water hungry networks that are currently the focus of intense sci... more Hydrogels are three‐dimensional water hungry networks that are currently the focus of intense scientific investigations owing to their potential applications in biomedicine, pharmaceuticals, biotechnology, biosensing, agriculture and cosmetics. Traditional hydrogels are incorporated with toxic cross‐linkers, lower drug loading and are shorter in load bearing capacity. Hydrogels demonstrate significant physiochemical modification in reaction to minor fluctuations in surrounding medium. Therefore, diverse cross‐linkers, polymer blending, modification in polymers/cross‐linkers and addition of reinforcement approaches are used. This review offers a comprehensive overview of application prospects of chitosan and carrageenan‐based hydrogel materials in biomedical sector. Initially, properties of hydrogels, their types, impact of natural‐synthetic polymer blending, requirement of filler and applications of hydrogels are summarized. Afterward, the applications of chitosan and carrageenan hydrogel platforms for drug delivery, tissue engineering, cosmetics, dentistry and ophthalmic treatment are thoroughly vetted. In conclusion, the extraordinary biocompatible, biodegradable and non‐toxic features of chitosan and carrageenan‐based hydrogel systems promote their applicability in biomedical fields.

International Journal of Biological Macromolecules, Jul 1, 2023

In the current study, chitosan, poly (N-vinyl-2-pyrolidone) and polyamidoamine based hydrogels we... more In the current study, chitosan, poly (N-vinyl-2-pyrolidone) and polyamidoamine based hydrogels were prepared by Solution Casting Method using different quantity of graphene oxide (GO) for controlled cephradine (CPD) release. The hydrogels were characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction, thermal analysis, scanning electron microscope and atomic force microscopy. FTIR results endorsed the presence of particular functionalities and developed interfaces in hydrogels. The thermal stability was directly proportional to the amount of GO. Antibacterial activity was investigated against gram-negative bacteria resultantly; CAD-2 exhibited maximum bactericidal activity against Escherichia coli and Psuedomonas aeruginosa. In addition, in-vitro biodegradation was examined in phosphate buffer saline solution and proteinase K for 21 and 07 days respectively. The maximum swelling was exhibited by CAD-133777 % in distilled water that was governed by quasi-Fickian diffusion. The swelling volumes were inversely proportional to the amount of GO. In the same way, pH sensitive CPD release was detected by UV visible spectrophotometer that followed zero order and Higuchi models. However, in 4 h, 89.4 % and 83.7 % of CPD was released in PBS and SIF solution correspondingly. Therefore, the chitosan-based biocompatible and biodegradable hydrogel platforms offered substantial potential for the controlled CPD release in medico-biological applications.

Acta Crystallographica Section C-crystal Structure Communications, Mar 15, 1996

The crystal structure determination of 1,4-diacetyl-1,4-dihydro-4-phenylpyridine, C 15 H 15 NO 2 ... more The crystal structure determination of 1,4-diacetyl-1,4-dihydro-4-phenylpyridine, C 15 H 15 NO 2 , shows the six atoms of the heterocyclic ring and the atoms of the N-acetyl substituent to be essentially coplanar.

Russian Journal of Electrochemistry, 2018

Here we are presenting complete electrochemical studies on redox activities of 1,2-dinitrobenzene... more Here we are presenting complete electrochemical studies on redox activities of 1,2-dinitrobenzene (DNB) in the presence of antioxidants-quercetin, morin, rutin, ascorbic acid and β-carotene. Bimolecular rate constants (k 2), antioxidant activities (K a) and diffusion coefficients (D o) were evaluated from changes in voltammeric responses and electrochemical parameters in the presence of antioxidant's concentrations. Theoretical charge calculations by PM3 parameterization were done which further justified our experimental electrochemical work and proposed scavenging mechanism. Present findings were also compared in details with our previously reported studies on 1,3-and 1,4-dinitrobenzene systems for their interactions with antioxidants.

Journal of Molecular Structure, Aug 1, 2019

Abstract 1-((E)-3-(4-bromophenyl) -1-phenylallylidene)-2-(m-tolyl)hydrazine (4) was synthesized a... more Abstract 1-((E)-3-(4-bromophenyl) -1-phenylallylidene)-2-(m-tolyl)hydrazine (4) was synthesized and characterized for structural elucidation by spectroscopy (FT-IR, 1H NMR, and 13C NMR) and single crystal X-ray diffraction. In the title compound, the benzene rings A, B, C were oriented at dihedral angles {A/B = 82.92 (3)°, A/C = 24.12 (3)°and B/C = 75.90 (3)°}. Crystal structure showed that intermolecular C H⋯O and C H⋯N hydrogen bonds linked the molecules, enclosing R22 (10) and R22 (16) ring motifs. The Hirshfeld surface analysis of the crystal structure indicated that the most important contributions for the crystal packing were from H⋯H (46.0%), H⋯C/C⋯H (17.6%), H⋯Br/Br⋯H (12.4%), H⋯O/O⋯H (8.5%) and C⋯C (6.6%) interactions. Hydrogen bonding and van der Waals contacts were the dominant interactions in the crystal packing. Compound's interaction with DNA was further investigated theoretically by DFT and experimentally by UV–visible spectroscopy and cyclic voltammetry. DFT analysis in terms of geometry optimization and computed parameters revealed reactive nature of 4 and the possibility of planar phenyl rings to intercalate within the DNA base pairs. Spectral and voltammetric analysis and related binding parameters suggested intercalation as a possible mode for 4 – DNA binding which was further verified by viscosity measurements.

Materials Chemistry and Physics

Acid catalyzed condensation of isoniazid with a number of suitably substituted aromatic and heter... more Acid catalyzed condensation of isoniazid with a number of suitably substituted aromatic and heterocyclic aldehydes was carried out in dry ethanol to afford the title (E)-N 0-(substituted benzylidene/methylene) isonicotinohydrazides (SF 1 e SF 4) in good yields. These compounds were characterized and further investigated for their binding with ds.DNA using UVe spectroscopy and molecular docking and for antitumor and antimicrobial potentials. A good correlation was found among spectroscopic, theoretical and biological results. UVe spectra in the presence of DNA concentrations and their data interpretation in terms binding constant " K b " and free energy change (DG) provided evidences for the significant and spontaneous binding of the compounds with DNA. Molecular docking studies and structural analysis further supported the UV-findings and indicated that the modes of interactions between bromo-(SF 1) and flouro-(SF 4) substituted isonicotinohydrazides is intercalation while...

Journal of photochemistry and photobiology. B, Biology, 2017

Three amide derivatives - methyl-2-[2-(4-isobutylphenyl)propanamido]propanoate (Dex-2), methyl 2-... more Three amide derivatives - methyl-2-[2-(4-isobutylphenyl)propanamido]propanoate (Dex-2), methyl 2-[2-(4-isobutylphenyl) propanamido]-3-phenylpropanoate (Dex-3) and methyl 2-[2-(4-isobutylphenyl)-propanamido]-4-methylpentanoate (Dex-4) of dexibuprofen (Dex-1) 2-(4-isobutylphenyl)propanoic acid were synthesized and conformed for structures by physical data and spectral analysis. Further, all the compounds were studied for their binding with ds.DNA through experimental (UV-visible/and fluorescence spectroscopy, cyclic voltammetry) and theoretical (molecular docking) techniques. Spectral and voltammetric responses as well as kinetic and thermodynamic data interpretations at stomach (4.7) and blood (7.4) pH and at human body temperature (37°C) indicated spontaneous interaction of all the compounds with DNA via intercalation and external bindings. The binding constants (Kb) and Gibbs free energy changes (-ΔG) were evaluated greater at pH7.4 attributing comparatively more significant bindin...

Protection of Metals and Physical Chemistry of Surfaces, 2017

The corrosion inhibition activity of triazolothiadiazine derivatives namely 1-(6-(4-nitrophenyl)-... more The corrosion inhibition activity of triazolothiadiazine derivatives namely 1-(6-(4-nitrophenyl)-7H[1,2,4]triazolo[3,4-b],[1,3,4]thiadiazine3-yl)ethanol (NTTD) and 6-phenyl-3-(triflouromethyl)-7H-[1,2,4]triazole[3,4-b]thiadiazine (FTTD) was examined on copper (Cu), mild steel (MS) and aluminum (Al) in different aggressive media (borate buffers of pH 10.4 and 8.4 for Cu; 1.0 M HCl and 1.0 M NaOH for MS; 1.0 M NaCl for Al). Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) were used and results obtained from both techniques complement each other. CV results showed that the compounds act as mixed type inhibitors for Cu-surface. Impedance spectra of Cu, MS and Al-surfaces in the presence of NTTD and FTTD were characterized as charge transfer controlled. Different parameters obtained from potentiodynamic polarization and impedance data revealed increase in the corrosion protection with inhibitor’s concentration and followed a stable and spontaneous chemisorption mechanism in all aggressive media. Adsorption data from both CV and EIS fitted well to the Langmuir adsorption isotherm. Among both compounds; FTTD has shown better corrosion protection activity in all aggressive media. In general, compound FTTD showed better inhibition efficiency at pH 8.4 among all aggressive media. Different quantum chemical parameters were calculated from DFT/B3LYP based on 3-21G by using Gaussview 03 which further supported the experimental results.

Environmental Science and Pollution Research, 2016

High levels of arsenic contamination in drinking water of two villages, Badarpur and Ibrahimabad ... more High levels of arsenic contamination in drinking water of two villages, Badarpur and Ibrahimabad of district Kasur, central Punjab, Pakistan is reported first time in present studies. Groundwater quality situation was found to be impaired when samples of different rural areas of district Kasur were monitored according to Pakistan Standards and Quality Control Authority (PSQCA) for all significant water quality constituents and analyzed for trace elements, physico-chemical, and microbiological parameters. Out of 35water sources, 97 % were found unsafe and only 3 % of the sources were within safe limits. High concentrations of arsenic, fluoride, and bacteria were found in 91, 74, and 77 % sources of drinking water, respectively. Very high concentrations of arsenic ranging 58-3800 μg/L were found in the water samples obtained from Badarpur and Ibrahimabad. A decrease in water contamination was observed with increase in source depth. The health issues like arsenicosis and skeletal/dental flourosis were observed in the residents of the monitored areas. Drinking water quality conditions of some rural areas of northen and southern districts of Punjab was also analyzed and compared with Kasur district. High levels of nitrates were found in the samples of Islamabad and Rawalpindi, while high levels of arsenic, iron, fluoride, and TDS were found in Bahawalpur district. Graphical abstract ᅟ.

Monatshefte für Chemie - Chemical Monthly, 2016

Three derivatives of arylazapyrazole ((E)-4-(phenyldiazenyl)-3,5-dimethyl-1H-pyrazole, (E)-4-[(4-... more Three derivatives of arylazapyrazole ((E)-4-(phenyldiazenyl)-3,5-dimethyl-1H-pyrazole, (E)-4-[(4-fluorophenyl)diazenyl]-3,5-dimethyl-1H-pyrazole, and (E)-4-[(4-iodophenyl)diazenyl]-3,5-dimethyl-1H-pyrazole) were synthesized, characterized, and further investigated for their electrochemical behavior at glassy carbon electrode using cyclic voltammetry. All compounds were reduced following Ei Ci mechanism giving single cathodic peak in potential range 0 to −2 V vs. Ag/AgCl. The plots of log iP vs. log ν showed that the electrode process is mixed adsorption-diffusion controlled. The kinetic parameters such as transfer coefficient (αn), diffusion coefficients (Do), and standard heterogeneous rate constants (ks) were determined from the electrochemical data. The values of Do were determined and found greater for the smallest among the three compounds. ks values were calculated by Laviron formalism which lies in the order of 10−2 s−1. Temperature and pH effects were studied and thermodynamic parameters such as change in free energy of activation (ΔG#), apparent activation energy (Ea), enthalpy (ΔH#), and entropy (ΔS#) of activation were determined. Negative values of Ea, ΔH#, and ΔS# imply that the electrode process needs lesser over potential with temperature rise, pre-adsorption of the analyte onto the electrode surface and the activated complex has a more organized structure than the reactants, respectively.Graphical abstract