Ajaz Hussain

• stedent at Mewar University

Herein we have reported a fluorescent probe (MB-M) based on MB derivative for Cu²⁺ ions detection. The probe was well characterized by ¹H NMR, ¹³C NMR and HR-MS spectrum. Probe MB-M showed naked-eyes recognition to Cu²⁺ as color change from colorless to indigo. The probe exhibited promising features such as high fluorescence and UV–vis selectivity,...

Molecular modeling has garnered significant attention in the realm of organic solar cells (OSCs) because it holds the promise of producing more efficient OSCs with notably enhanced power conversion efficiency (PCE). In this quest, we have undertaken a strategic modification of the acceptor moieties within the recently synthesized metal-free dicarba...

We applied molecular docking simulations and DFT to examine the binding interactions of 4-difluoromethyl pyrazole derivatives ( 3a-3h ). We assessed the potential binding mechanisms and strengths of derivatives within the receptor's binding site. By methodical simulations, we elucidated the characteristics and interactions towards binding capacitie...

New 2,6-bis(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetraone (2Tris@PMDA) and its polymeric hybrids with Anderson polyoxometalates (DiTA@PMDA) and with Lindquist polyoxometalates (DiTL@PMDA) have been synthesized and thoroughly characterized. Using dr. Blade's approach, TiO2 based thin films of 2Tris@PMDA,...

Owing to the broad applications of quaternary ammonium salts (QAS), we present the synthesis of benzimidazolium-based analogues with variation in the alkyl and alkoxy group at N-1 and N-3 positions. All the compounds were characterized by spectroscopic techniques and found stable to air and moisture both in the solid and solution state. Moreover, m...

Hydrogen is currently considered as the best alternative for traditional fuels due to its sustainable and ecofriendly nature. Additionally, hydrogen dissociation is a critical step in almost all hydrogenation reactions, which is crucial in industrial chemical production. A cost-effective and efficient catalyst with favorable activity for this step...

In this work, four fluorinated α, β-unsaturated ketones named as 3-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (1), 3-(4-methoxyphenyl)-1-(3-(trifluoromethyl)phenyl) prop-2-en-1-one (2), 3-(3-bromo-5-chloro-2-hydroxyphenyl)-1-(3-(trifluoromethyl)phenyl) prop-2-en-1-one (3) and 3-(2-hydroxy-5-methylphenyl)-1-(3-(trifluoromethyl)phen...

Y-series-based non-fullerene acceptors (NFAs) have achieved significant deliberation by chemists and physicists because the promising optical and photochemical properties associated with high-performance OSCs can be further tuned through end-capped modification. In this work, such modifications of Y-series benzothiadiazole-based NFAs were accomplis...

The present research prepared a ternary composite g-C3N4-MoO3/rGO using the ultrasonic-assisted wet impregnation method. The prepared photocatalyst was characterized by using Fourier transform infrared spectroscopy (FT-IR), Powder X-ray diffraction (XRD), scanning electron microscopy (SEM), and EDX(Energy dispersive X-ray) techniques. The structure...

The performance of organic solar cells (OSCs) has been improving steadily over the last few years, owing to the optimization of device fabrication, fine-tuning of morphology, and thin-film processing. Thiophene core containing fused ring-type non-fullerene acceptors (NFAs) achieved significant proficiency for highly efficient OSCs. Quantum chemical...

In current work, three N-acetyl pyrazoline derivatives (1–3) have been prepared via 1,4-addition reaction of hydrazine on chalcones, followed by cyclization of the adduct in the presence of acetic acid. The structural interpretation of synthesized compounds was accomplished using various characterization techniques like FT-IR, Ultraviolet/visible s...

In this work, two new, efficient, and ecofriendly hybrids based on Polyoxometalates-porphyrin namely [email protected], and [email protected] have been synthesized and characterized through FT-IR, UV–Visible, Elemental analysis, fluorescence studies, ¹HNMR, and cyclic voltametric analysis to utilize its use in the light conversion devices by design...

Herein, we report linear polarizibilty (α) and hyperpolarizibility (β) of anthracyl-based organic materials containing electron acceptor (NO2) and electron donor (NH2) moieties. Six compounds (a–f) were designed by structural modification of a reported chromophore 9,10-bis(phenylethynyl)anthracene (R). Ground state geometries, HOMO-LUMO energies po...

In this study, five new asymmetrical fullerene-free acceptor molecules (N1 to N5) have been designed for organic solar cell applications. Density functional theory and time dependent density functional theory has been employed for exploring the opto-electronic, photovoltaic and geometric properties of the designed molecules. A narrow energy band ga...

Propolis (bee glue) is a complex, phyto-based resinous material obtained from beehives. Its chemical and biological properties vary with respect to bee species, type of plants, geographical location, and climate of a particular area. This study was planned with the aim of determining the chemical composition and to investigate various properties (a...

End-capped modification is an efficient approach for enhancing the power conversion efficiency of organic solar cells (OSCs). Herein, five novel acceptor molecules have been designed by end-capper modification of the recently synthesized molecule NTIC (R). Different geometric and photovoltaic properties like frontier molecular orbital analysis, abs...

Organic solar cells (OSCs) with bulk heterojunction (BHJ) structures consisting of electron-donor and electron-acceptor materials have achieved impressive progress over the past decade, demonstrating their great potential in practical applications. In this study, we have designed five fullerene-free acceptor-based molecules containing indaceno-dith...

The Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV-2) pandemic has become a global challenge based on its replication within the host cells that relies on non-structural proteins, protease (Mpro). Flavonoids, an important class of naturally occurring compounds with medicinal importance, are frequently available within fruits and vegetables...

In this work, we are presenting preparation of (E)-3-(4-ethoxyphenyl)-1-(2-(trifluoromethyl)phenyl)prop-2-en-1-one (1) and (E)-3-(naphthalen-2-yl)-1-(2-(trifluoromethyl) phenyl)prop-2-en-1-one (2) through Claisen-Schmidt reaction. The synthesized compounds were characterized by different analytical techniques (UV-visible, FT-IR ¹HNMR and mass spect...

Five new asymmetric NFA-based polymer solar cells i.e., N1-N5 are designed by doing modification in terminal groups of the acceptor part of experimentally synthesized reference molecule with (4,4,9,9-tetramethyl-4,9 dihydroselenopheno [2’,3’:5,6]-s-indaceno [1,2-b] thiophene) core. Frontier molecular orbital analysis is used to study their photovol...

Ten coumarin class of compounds, including new fused coumarinolignoids namely, mucronin-C (1) were isolated from the methanol extract from whole plant of Daphne mucronata Royle. The structures of mucronin-C (1) and its configurations were determined by chemical and spectroscopic methods including 1DNMR, 2D-NMR and HR-FAB-MS. The isolated compounds...

One diorganotin(IV) [n-Bu2SnL2] (1) and two triorganotin(IV) carboxylates [n-Bu3SnL] (2) and [Ph3SnL] (3) [L = 3-(3-nitrophenyl) 2-methylpropenoic acid] were synthesized and characterized by elemental analysis, FT-IR and NMR (¹H, ¹³C) spectroscopies. The geometry of complexes and binding mode of ligand were worked out through FT-IR and NMR spectros...

Herein, we report a simple and ecofriendly synthesis of ZnO nanoparticles (ZnO NPs) employing Digera muricata along with bioassay studies of synthesized NPs. The ZnO NPs obtained were indicated by a colour change from yellow to almost faint yellow giving whitish tinge and supported by the appearance of UV-Vis band at 373 nm and were characterized b...

Contamination of organic and inorganic compounds has become one of the increasing concerns due to their detrimental effects on the environment and human health. The presence of such organic and inorganic compounds in wastewater poses a challenge in water remediation. Herein, we report successful preparation of Ag@CdO nanocomposite via green methodo...

Supercapacitors or ultra-capacitors are well thought-out best approach to fulfil the indispensable requirements of energy storage. Supercapacitive electrode materials have become interest of scientists. In the present study, we have reported an efficient and catalyst free method for synthesis of porous carbon by the pyrolysis of salt, prepared by r...

Heterocyclic compounds with excellent nonlinear optical (NLO) properties are highly significant and have many potentials uses in various fields such as nuclear science, optoelectronics etc. Herein, an organic dye JK-201 was used theoretically to design a series of novel D-π-A based NLO molecules (DTA1-DTA12). This novel series of NLO molecules was...

Organic materials development, especially in terms of nonlinear optical (NLO) performance, has become progressively more significant owing to their rising and promising applications in potential photonic devices. Organic moieties such as carbazole and quinoline play a vital role in charge transfer applications in optoelectronics. This study reports...

Two new chalcones namely 3-(3-Bromo-phenyl)-1-(2-trifluoromethyl-phenyl)-propenone (1) and 3-(3-Bromo-5-chloro-phenyl)-1-(2-trifluoromethyl-phenyl)-propenone (2) were synthesized from substituted aldehydes and fluorinated acetophenone through base catalyzed condensation reaction. The structural confirmation of synthesized compounds was furnished by...

carbon nanotubes (MWCNTs) are exclusively used in antibacterial activity due to their high aspect ratio and surface penetration characteristics. This study reports the synthesis of piperazine and dopamine functionalised MWCNTs to investigate antibacterial activity against strains like Staphylococcus aureus and Micrococcus luteus. MWCNTs were activa...

New cytotoxic steroidal glycoside of methanol extract from Kochia prostrata ([Formula: see text]) Schrad was investigated in this study. Bio-guided isolation from ethylacetate fraction of whole plant afforded steroidal glycosides named as 5-ene-dimethylcholest3-O-[Formula: see text]-D-glucoside (Kochioside 1A 1 ), 5-ene-methylcholest3-O-[Formula: s...

New organotin (IV) complexes with NaL1 (sodium salt of 2-[[4-(3-methoxy-propoxy) -3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide) and NaL ² s (sodium salt of 3- aminomethyl-5-methylhexanoic acid) were synthesized by the reaction of diorganotin (IV) and triorganotin (IV) salt (Bu 3 SnCl, Ph 3 SnCl, Bu 2 SnCl 2 , Me 2 SnCl 2 ) using the solve...

The pyrimidine ring is significantly distributed in nature due to its existence in deoxyribonucleic acid (DNA) and ribonucleic acid (RNA) as nitrogenous bases. The heterocyclic aromatic compounds have become an important pharmacophore due to promising applications in medicine and nonlinear optics (NLO) fields. Keeping in view of the significance of...

In this work, we reported the synthesis of hydrazide derivatives namely; N’-(4-(prop-2-ynyloxy)benzylidene)isonicotinohydrazide (1) and 4-methyl-N’-(4(prop-2-ynyloxy)benzylidene)- benzenesulfonohydrazide (2), their characterization through spectroscopic techniques as EIMS, ¹H NMR, FT-IR, UV–Visible and single crystal X-ray diffraction (SC-XRD). Qua...

The genus Datura comprises wild shrub plants that belong to the Solanaceae family. Naturally, they possess both medicinal and poisonous properties due to the presence of many biologically active phytochemical constituents. Traditionally, Datura had been used for mystic and religious purposes, as a natural drug to treat asthma, pain, gout, boils, ab...

The present study describes the partitioning of a reactive dye, reactive yellow 86, between aqueous and micellar media of a cationic surfactant (cetyltrimethyl ammonium bromide, CTAB), as well as an anionic surfactant (sodium dodecyl sulphate, SDS). In a systematic investigation, we have recorded the UV–vis absorption spectra of the dye as a functi...

This manuscript reports the partitioning of benzothiophene (BNP), a bioactive organic compound, between the aqueous phase and micellar media of an anionic surfactant, sodium dodecyl sulphate (SDS) and a cationic surfactant, cetyl trimethyl ammonium bromide (CTAB). Simple and differential UV/visible spectroscopic studies of said systems have been co...

In the present study, we have provided an insight into the solubilization of bioactive compound Benzothiazole (BNZ) by the micellar media of an anionic surfactant, Sodium dodecyl sulphate and a cationic surfactant, cetyl trimethylammonium bromide. The detailed investigation of this phenomenon involves the use of electrical conductivity and UV–Visib...