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Fulltext Environmentally Benign Water-Soluble Sodium L-2-(1-Imidazolyl) Alkanoic Acids as New Corrosion Inhibitors for Mild Steel in Artificial Seawater

Haque J, Zulkifli MFR, Ismail N, Quraishi MA, Mohd Ghazali MS, Berdimurodov E, et al.

ACS Omega, 2023 Jul 18;8(28):24797-24812.
PMID: 37483193 DOI: 10.1021/acsomega.3c00366

Three novel natural amino acid-derived sodium L-2-(1-imidazolyl) alkanoic acids (IZSs), namely, sodium 2-(1H-imidazol-1-yl)-4-methylpentanoate (IZS-L), sodium 2-(1H-imidazol-1-yl)-3-phenylpropanoate (IZS-P), and sodium 2-(1H-imidazol-1-yl)-4-(methylthio)butanoate (IZS-M), were investigated as corrosion inhibitors. The IZSs were synthesized following the green chemistry principles, and their structure was characterized using FTIR and NMR techniques. The corrosion study results reveal that a moderate concentration of IZSs (having low solution conductivity) showed potential corrosion inhibition for mild steel in artificial seawater. At longer immersion, IZS-P forms a uniform protective film and exhibits the potential inhibition efficiency of 82.46% at 8.4 mmol L-1. Tafel polarization results reveal that IZS-P and IZS-M act as mixed types with an anodic predominantly corrosion inhibitor. The electrochemical impedance spectroscopy results signify that IZSs inhibit mild steel corrosion through the formation of an inhibitor film on the metal surface, which was further confirmed by the FTIR, SEM, EDX, and XPS studies. DFT result shows that in IZS-P, the benzylic group (-CH2-Ph) has greater electron distribution compared to isobutyl (-CH2CH(CH3)2) in IZS-L and methythioethyl group (-CH2CH2SCH3) which supported the corrosion inhibition performance at longer immersion [IZS-P (82.46%) > IZS-M (67.19%) > IZS-L (24.77%)].
Core-Shell Vanadium Modified Titania@β-In2S3 Hybrid Nanorod Arrays for Superior Interface Stability and Photochemical Activity

Mumtaz A, Mohamed NM, Mazhar M, Ehsan MA, Mohamed Saheed MS

ACS Appl Mater Interfaces, 2016 Apr 13;8(14):9037-49.
PMID: 26852779 DOI: 10.1021/acsami.5b10147

Core-shell rutile TiO2@β-In2S3 and modified V-TiO2@β-In2S3 were synthesized to develop bilayer systems to uphold charge transport via an effective and stable interface. Morphological studies revealed that β-In2S3 was deposited homogeneously on V-TiO2 as compared to unmodified TiO2 nanorod arrays. X-ray photoelectron spectroscopy (XPS) and electron energy loss spectrometry studies verified the presence of various oxidation states of vanadium in rutile TiO2 and the vanadium surface was utilized for broadening the charge collection centers in host substrate layer and hole quencher window. Subsequently, X-ray diffraction, high-resolution transmission electron microscopy, and Raman spectra confirmed the rutile phases of TiO2 and modified V-TiO2 along with the phases of crystalline β-In2S3. XPS valence band study explored the interaction of valence band quazi Fermi levels of β-In2S3 with the conduction band quazi Fermi levels of modified V-TiO2 for enhanced charge collection at the interface. Photoelectrochemical studies show that the photocurrent density of V-TiO2@β-In2S3 is 1.42 mA/cm(2) (1.5AM illumination). Also, the frequency window for TiO2 was broadened by the vanadium modification in rutile TiO2 nanorod arrays, and the lifetime of the charge carrier and stability of the interface in V-TiO2@β-In2S3 were enhanced compared to the unmodified TiO2@β-In2S3. These findings highlight the significance of modifications in host substrates and interfaces, which have profound implications on interphase stability, photocatalysis and solar-fuel-based devices.
Synthesis of some new N-(alkyl/aralkyl)-N-(2,3-dihydro-1,4-benzodioxan-6-yl)-4-chlorobenzenesulfonamides as possible therapeutic agents for Alzheimer's disease and Type-2 Diabetes

Abbasi MA, Rehman A, Siddiqui SZ, Hadi N, Mumtaz A, Shah SAA, et al.

Pak J Pharm Sci, 2019 Jan;32(1):61-68.
PMID: 30772791

In the current research work, a series of new N-(alkyl/aralkyl)-N-(2,3-dihydro-1,4-benzodioxan-6-yl)-4-chlorobenzenesulfonamides has been synthesized by reacting 1,4-benzozzdioxan-6-amine (1) with 4-chlorobenzenesulfonyl chloride (2) to yield N-(2,3-dihydro-1,4-benzodioxan-6-yl)-4-chlorobenzenesulfonamide (3) which was further reacted with different alkyl/aralkyl halides (4a-n) to afford the target compounds (5a-n). Structures of the synthesized compounds were confirmed by IR, 1H-NMR, EI-MS spectral techniques and CHN analysis data. The results of enzyme inhibition showed that the molecules, N-2-phenethyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzenesulfonamide (5j) and N-(1-butyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzenesulfonamide (5d), exhibited moderate inhibitory potential against acetylcholinesterase with IC50 values 26.25±0.11 μM and 58.13±0.15 μM respectively, whereas, compounds N-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzenesulfonamide (5i) and N-(pentane-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzenesulfonamide (5f) showed moderate inhibition against α-glucosidase enzyme as evident from IC50 values 74.52±0.07 and 83.52±0.08 μM respectively, relative to standards Eserine having IC50 value of 0.04±0.0001 μM for cholinesterases and Acarbose having IC50 value 38.25±0.12 μM for α-glucosidase, respectively.
Investigation of tip sonication effects on structural quality of graphene nanoplatelets (GNPs) for superior solvent dispersion

Baig Z, Mamat O, Mustapha M, Mumtaz A, Munir KS, Sarfraz M

Ultrason Sonochem, 2018 Jul;45:133-149.
PMID: 29705306 DOI: 10.1016/j.ultsonch.2018.03.007

The exceptional properties of graphene and its structural uniqueness can improve the performance of nanocomposites if it can attain the uniform dispersion. Tip sonication assisted graphene solvent dispersion has been emerged as an efficient approach but it can cause significant degradation of graphene structure. This study aimed to evaluate the parametric influence of tip sonication on the characteristics of sp2 carbon structure in graphene nanoplatelets by varying the sonication time and respective energy at three different amplitudes (60%, 80% and 100%). The study is essential to identify appropriate parameters so as to achieve high-quality and defect-free graphene with a highly desirable aspect ratio after solvent dispersion for composite reinforcement. Quantitative approach via Raman spectroscopy is used to find the defect ratio and lateral size of graphene evolved under the effect of tip sonication parameters. Results imply that the defect ratio is steady and increases continually with GNPs, along with the transformation to the nano-crystalline stage I up to 60 min sonication at all amplitudes. Exfoliation was clearly observed at all amplitudes together with sheet re-stacking due to considerable size reduction of sheets with large quantity. Finally, considerable GNPs fragmentation occurred during sonication with increased amplitude and time as confirmed by the reduction of sp2 domain (La) and flake size. This also validates the formation of edge-type defect in graphene. Convincingly, lower amplitude and time (up to 60 min) produce better results for a low defect content and larger particle size as quantified by Raman analysis.
Biochemical evaluation and medicinal ability of Jatropha mollissima in hepatic disorders

Iqbal MO, Naeem M, Mumtaz A, Ahmed MM, Ahmad A, Riaz R, et al.

Am J Transl Res, 2022;14(10):7178-7188.
PMID: 36398251

OBJECTIVE: Jatropha mollissima is one of the most valuable medicinal plants used for the treatment of hepatic disorders. It is evident that 500 mg/kg of sodium valproate causes the hepatotoxicity, ototoxicity, gastrotoxicity, bone marrow suppression, and inflammation. This study was designed to explore the medicinal uses of Jatropha mollissima in hepatic disorders.
METHODS: Hepatotoxicity was induced in Wister albino rats by injecting sodium valproate at the rate of 500 mg/kg once daily for fourteen days. Six male rats, each weighing 220-270 g, were placed into four separate groups for the study. The first group was treated with normal saline. Treatment of the second group was carried out by SVP for four days consecutively together with saline for three weeks. Group three and four were treated with sodium valproate and Jm hydroalcoholic extract applied in the concentrations of the 200 mg/kg and 400 mg/kg for the period of the three weeks. Phytochemical screening and HPLC analysis were conducted to identify the phytochemical nature and polyphenols in extract, respectively. DPPH, SOD, and NO tests were performed to measure the antioxidant activity.
RESULTS: With the initial dose of treatments to rats, anatomic, physiological, or histopathologic abnormalities were detected. After three weeks, extract of Jatropha mollissima was used to treat the valproic acid-induced hepatotoxicity (P < 0.05).
CONCLUSION: It was concluded that sodium valproate (SVP) and Jm extract were administered together. The hepatoprotective effects were extraordinarily high, with high concentrations of 400 mg/kg.
MPD3: a useful medicinal plants database for drug designing

Mumtaz A, Ashfaq UA, Ul Qamar MT, Anwar F, Gulzar F, Ali MA, et al.

Nat Prod Res, 2017 Jun;31(11):1228-1236.
PMID: 27681445 DOI: 10.1080/14786419.2016.1233409

Medicinal plants are the main natural pools for the discovery and development of new drugs. In the modern era of computer-aided drug designing (CADD), there is need of prompt efforts to design and construct useful database management system that allows proper data storage, retrieval and management with user-friendly interface. An inclusive database having information about classification, activity and ready-to-dock library of medicinal plant's phytochemicals is therefore required to assist the researchers in the field of CADD. The present work was designed to merge activities of phytochemicals from medicinal plants, their targets and literature references into a single comprehensive database named as Medicinal Plants Database for Drug Designing (MPD3). The newly designed online and downloadable MPD3 contains information about more than 5000 phytochemicals from around 1000 medicinal plants with 80 different activities, more than 900 literature references and 200 plus targets. The designed database is deemed to be very useful for the researchers who are engaged in medicinal plants research, CADD and drug discovery/development with ease of operation and increased efficiency. The designed MPD3 is a comprehensive database which provides most of the information related to the medicinal plants at a single platform. MPD3 is freely available at: http://bioinform.info .
Synthesis, Antioxidant and In-Silico Studies of Potent Urease Inhibitors: N-(4-{[(4-Methoxyphenethyl)-(substituted)amino]sulfonyl}phenyl)acetamides

Abbasi MA, Raza H, Rehman AU, Siddiqui SZ, Nazir M, Mumtaz A, et al.

Drug Res (Stuttg), 2019 Feb;69(2):111-120.
PMID: 30086567 DOI: 10.1055/a-0654-5074

In this study, a new series of sulfonamides derivatives was synthesized and their inhibitory effects on DPPH and jack bean urease were evaluated. The in silico studies were also applied to ascertain the interactions of these molecules with active site of the enzyme. Synthesis was initiated by the nucleophilic substitution reaction of 2-(4-methoxyphenyl)-1-ethanamine (1: ) with 4-(acetylamino)benzenesulfonyl chloride (2): in aqueous sodium carbonate at pH 9. Precipitates collected were washed and dried to obtain the parent molecule, N-(4-{[(4-methoxyphenethyl)amino]sulfonyl}phenyl)acetamide (3): . Then, this parent was reacted with different alkyl/aralkyl halides, (4A-M: ), using dimethylformamide (DMF) as solvent and LiH as an activator to produce a series of new N-(4-{[(4-methoxyphenethyl)-(substituted)amino]sulfonyl}phenyl)acetamides (5A-M: ). All the synthesized compounds were characterized by IR, EI-MS, 1H-NMR, 13C-NMR and CHN analysis data. All of the synthesized compounds showed higher urease inhibitory activity than the standard thiourea. The compound 5 F: exhibited very excellent enzyme inhibitory activity with IC50 value of 0.0171±0.0070 µM relative to standard thiourea having IC50 value of 4.7455±0.0546 µM. Molecular docking studies suggested that ligands have good binding energy values and bind within the active region of taget protein. Chemo-informatics properties were evaluated by computational approaches and it was found that synthesized compounds mostly obeyed the Lipinski' rule.