A₂B free base corroles were synthesized, characterized, and demonstrated as Hg²⁺ ion sensors. These corroles are highly selective towards the Hg²⁺ ions and depend on the halogen group substituted on the meso phenyl group.

Curcumin-pyrimidine analogs are synthesized and screened against MCF-7 and MDA-MB-231 cancer cell lines. Two analogs showed higher antiproliferative activities against MCF-7 with IC50 values of 4.95 and 0.61 µM. These compounds induce apoptosis in cycle analyses, inhibit colony formation, and show good binding interactions in molecular docking studies.

The dehydrogenation of methanol to hydrogen and methyl formate was studied using microporous Ce-ion-exchanged coppersilicate (Ce-CS) catalysts. The TEM images and evolution of structure based on in-situ XRD evidenced the formation of copper to stabilize the coppersilicate structure and enhance the catalytic activity.

An efficient two-step protocol for synthesizing 3-aminocarbazoles has been accomplished from N-sulfonyl-1,2,3-triazoles and 2-alkenylindoles.

CAL-B, catalyzed efficient one pot synthetic routes have been first time developed for getting better to excellent yields of the 5-aryl-9,10-dihydropyrido[2,3-d:6,5-d']dipyrimidine-2,4,6,8(1H,3H,5H,7H)-tetraones (3a-k) and 5-(p-substituted phenyl)-1,3,4-oxadiazole-2-thiol (6a-b).

A series of intra-molecular frustrated Lewis pairs (FLPs) are designed by changing the base centers (group 15) and acid centers (group 13). These FLPs are considered to study the ring opening reactions of cyclic ethers and thioethers. It is concluded that the P/Al FLP is the best choice.

Synopsis: Synthesis of phenacyl bromides has been achieved under transition metal-free conditions. Some observations on substituted toluene systems have also been reported. In both cases, C(sp³)-H bromination has taken place at room temperature in the presence of phenyliodine diacetate (PIDA).

A Schiff base derived from the condensation reaction between 2-aminoacetophenone and salicylaldehyde was involved in the formation of four different metal complexes, i.e., with Nickel, Cobalt, Iron, and Copper. The synthetic route to forming these complexes followed an easy process, and the complexes were obtained in good yields.

A new discrete octahedral metal-ligand cage was prepared by employing a flexible tripodal phosphoramide ligand. The polarization in this assembly originates from the toggling of the nitrate anions and its long-range order assisted by solvate molecules of water. The ferroelectric measurements of the cage gave a well-defined rectangular P-E hysteresis loop with a remnant polarization value.

The viral attachment and fusion of Nipah and Hendra virus was explored through the interaction between viral glycoprotein and the host cell surface ephrin protein. The MD simulation results displayed more stability in Nipah and Hendra glycoprotein with EFNB₂ as compared to EFNB₃. The residue Glu₅₃₃ in the central cavity of HeV/NiV glycoprotein protein identified as the potential hotspot in binding with the G-H loop of EFNB₂.

Antimicrobial, DFT, and Docking representation of Cobalt (II) macrocyclic complexes

A simple and readily accessible dinuclear monohydrido bridged ruthenium complex [{(η⁶-p-cymene)RuCl}₂(μ-H-μ-Cl)] is reported as a catalyst for acceptorless dehydrogenation of heterocycles. The proposed mechanism involves initial N–H activation of heterocycles by the metal center followed by isomerization, which provides the product N-heteroarenes with the liberation of molecular hydrogen.

The olefin-rich light cracked naphtha obtained from the fluidized catalytic cracker unit of the oil refinery was converted into hydroxy esters through an epoxidation reaction followed by the esterification with different carboxylic acids. The hydroxy esters at low dosage levels (150/300 ppm) enhance the lubricating property of ultra-low sulfur diesel.

We report DFT-based computational studies of 6-phenyl-3-(pyridin-2-yl)-1,2,4-triazine (PhPyTrz). Some biological properties of PhPyTrz were predicted. Corrosion inhibition properties of PhPyTrz both in gas phase and in the aqueous medium for some important metals used in implants were also estimated by DFT calculations.

A perspective towards utilizing the most popular techniques in understanding the nature of bonding to eliminate certain common misconceptions among students including researchers, and a caution against the impetuous usage of the terms ‘ionic’ and ‘covalent’ to describe a bond.

SYNOPSIS: A DFT study of [1, 5]-halo shift in heterosubstituted pentadiene derivatives is reported. The result suggests that aza and oxa substitutions favour [1, 5]-halo shift by suprafacial mode. Phosphorus and silicon substitutions significantly reduce the barrier to both suprafacial and antarafacial routes. The distinct reduction in barrier to halo shift in the P- and Si-substituted systems is due to the reactant-like transition state.

Glycerol is produced as the key byproduct in the transesterification process. The as-synthesized Mil-118-SnO₂ then was used as a heterogeneous catalyst for the glycerol conversion to solketal. The experiments were carried out under mild conditions, which produced a 40% increase in conversion and selectivity.

Synopsis: An IDP, beta Casein (BCN), shows conformational transitions in the presence of SDS, which acts as molecular crowder and induces structural compactness in BCN. We observed that the water dynamics/associated solvation property of the protein becomes slower in the presence of SDS by monitoring the tryptophan fluorescence of BCN.

Herein, new palladium(II) complex, [Pd(LS^Et)Cl] (C1) with benzothiazole-based ONS donor pincer ligand (HLS^Et) was synthesized and characterized by several spectroscopic techniques. Interaction of C1 with CT DNA and BSA protein was investigated by UV-Vis and fluorescence methods. In vitro cytotoxicity of the complex toward human gastric cancer cell lines (AGS) was evaluated by the MTT assay method. The half maximal inhibitory concentration (IC₅₀) of the palladium(II) complex (9.55±1.23 µM) was found to be less compared to cisplatin (23.13±1.03 µM) towards AGS cancer lines.

Macrobicyclic binuclear zinc(II) complexes synthesized from their macrocyclic ligands by Schiff base condensation were characterized by elemental and spectral analysis. The enhanced DNA binding affinity (CH3 group) and lesser DNA binding affinity (Br group) have been explained. The 3D fluorescence spectrum shows quenching due to the planarity of aromatic system. DNA cleavage and in vitro activities have been discussed.

Potassium ethyl xanthate (KEX) was successfully used as a corrosion inhibitor for mild steel dissolution in 1 M HCl and 1 M H₂SO₄ media. KEX showed excellent inhibition efficiency between 92% to 98% in acidic media. The mode of adsorption on mild steel surfaces was mainly physisorption.

A two-stage one-step mechanism is concluded for double cyclization of a nitrilium ion intermediate. The ELF analysis suggests that while the C-C bond is formed via the coupling of the pseudoradical centers, the C-O bond is formed from the polarization of the oxygen lone pair toward the carbon atom.

The structure and orientation of piperazine conformers at the surface of an aqueous solution are investigated. Piperazine molecules which exist majorly as centrosymmetric conformers in gas-phase and crystalline states are found to have a substantial population of non-centrosymmetric conformers on the air-water interface with net polar orientation. VSFG signal in the C-H stretching region even from completely protonated piperazine cations and its similarity with the peak positions of unprotonated piperazine establishes the presence of non-centrosymmetric conformers on air-water interface, for piperazine and its cations.

* Structural characterization of series of synthesized anthraquinone derivatives (B141–B148) having amide, benzene/toluene sulfonamide, and hydrophobic features at 1 and 4 positions. * Biological screening of synthesized anthraquinone derivatives (B141–B148) and Mitoxantrone (MTX) using molinspiration and Osiris property explorer along with anticancer screening against MCF-7, PC-3, and Hela cell lines. * Interaction study of synthesized anthraquinone derivatives (B141–B148) and Mitoxantrone with ct-DNA using absorption, emission, and viscometric techniques. * FT-IR spectral study on best-screened compounds B147, B148 and Mitoxantrone with ct-DNA. * Docking of synthesized anthraquinone compounds (B141–B148) and Mitoxantrone with B-DNA. * Computational study to relate the structure and reactivity of synthesized anthraquinone compounds (B141–B148) and Mitoxantrone using DFT/B3LYP/6-31G(d,p) method.

Synopsis: The Ti_0.97Pd_0.03O_1.97 catalyst is synthesized by solution combustion method crystallizes in anatase phase with average crystallite size of 5 nm. This catalyst is highly active for the selective oxidation of alcohols and reduction of nitroarenes. The catalyst coated over cordierite monolith can be recycled even up to 10 cycles.

The current protocol demonstrates the synthesis of 1,2,4-triazolidine-3-thiones from variously substituted aldehydes or ketones with thiosemicarbazide under aqueous conditions. A simple stirring of the reaction at room temperature in the presence of the catalytic amount of meglumine quickly gave the desired product an excellent yield. The method is operationally simple and eco-friendly.

Herein, we report room temperature synthesis of new fluorescent 1,4-benzoxazinone and benzophenoxazinones derivatives using disodium anacardate as a bio-based catalyst which was also synthesized at room temperature from Cashew nut shell liquid (CNSL). The fluorescence activity was studied for the synthesized molecules.

The host-guest interactions of macrocycles L₁ and L₂ with 8-aniline-1-naphthalene sulfonic acid were evaluated by fluorescence spectra and H NMR titration. The binding ratios of L₁ and L₂ with the compound are both 1:1, and the stability constants are 3.06×10⁴ L·mol^-1 and 6.58×10³ L·mol^-1.

Mass transport and recombination are two hurdles for metal complex-based redox couples for dye-sensitized solar cells. We have fabricated DSSC devices using triphenylimidazole-based organic dyes with I⁻/I₃⁻ redox electrolyte and measured its device efficiency under full sun and artificial/indoor light conditions and the potential for the Internet of Things (IoT) applications.

Pyrazoline-sulfonamide (PS) has been prepared and used as novel corrosion inhibitors of mild steel. Langmuir adsorption isotherm was used to evaluate MS corrosion inhibition by PS. Experimental data are in good agreement with B3LYP DFT calculations. Therefore, PS is recommended as a corrosion inhibitor of mild steel in aqueous media.

Hybrid nanocomposite membranes were prepared via interfacial polymerization between D- tryptophan with carboxylated multi-walled carbon nanotubes and trimesoyl chloride over polysulfone support. On passing a racemate solution of β-substituted-α-amino acids through the hybrid membranes, the chiral probe selectively adsorbed the D-isomer. The thin-film nanocomposite enacts as the effective layer over the hollow fiber membrane which ensures the apportioned chiral selectors were adequate to attain 99% of enantioselectivity.

The research study includes the synthesis of a novel and efficient Schiff base ligand L, which is highly sensitive and a selective fluorescent sensor for Cu²⁺ ions with a very low detection limit.

Sixteen nicotinamide derivatives containing diphenylamine moieties were prepared based on the structure of fungicide boscalid. There into, compound 3a showed high antifungal activity against Rhizoctonia solani. Structure-activity relationship study provided important information for further structural optimization. Molecular docking offered a reasonable explanation to guarantee its fungicidal activity.

Zn and Sr doubly partial substitution in lanthanum manganite perovskite resulted in a high catalytic activity of the Hantzsch reaction. The results showed that the catalytic activity is related to the creation of oxygen vacancies and the defect associations, in addition to surface acidity and Mn⁴⁺ content

Our study presents the fabrication of blue-emitting Graphene Quantum Dots (GQDs) and employs them as an assay to detect free bilirubin (BR). Fluorescence of GQDs was quenched linearly as BR concentrations increased from 40.53 to 237.55 μM and exhibited a low detection limit (9 μM) with high selectivity and rapid response towards free BR. The efficiency of energy transfer between GQD and BR was determined as 43%. Fluorescence spectra show a broad emission spectrum with a maximum fluorescence intensity at around 420 nm (λ_max) when excited at a wavelength of 320 nm. This 100 nm wavelength stokes shift is advantaged for employing GQDs for sensing applications.

The optimization of 3-aminocyclohexa-2,6-diene-1-sulfonic acid (1), cis-(1S)-3-Fluoro-3,5-cyclohexadiene-1,2-diol (2) and 1,1′-(3,5-Cyclohexadiene-1,3-diyl)dibenzene (3) compounds was performed at the B3LYP/6-311++G(2df,2p) level of theory. Strong hydrogen bonds were formed with amino and sulfonic groups. The dimer structures proved the importance of intermolecular interactions between polar groups. The docking results towards Urokinase Type Plasminogen Activator (uPa) proved the reactivity order determined previously along with the interactions with the amino acids in an active pocket.

A pseudo octahedral Mn(II) complex, [Mn(L)₂] with ONS donor azo-thioether pincer ligand (HL) has been synthesized and thoroughly characterized by spectroscopic techniques. Electronic and X-ray structures of the complex have been studied by experimental results abetted with theoretical computation. Cyclic voltammogram of [Mn(L)₂^-] in acetonitrile exhibits Mn(II)/Mn(III) oxidation and ligand based reduction couples in acetonitrile.

In the present protocol, the synthesis of quinoxaline derivatives is described using various substituted phenacyl bromides and o-phenylenediamines as starting materials in ZnFe₂O₄ as a bimetallic and eco-friendly catalyst at room temperature. Here, Dimethylformamide is used as a solvent with high yields.

Synopsis Glycylglycine functionalized water dispersible gold nanoaprticles were prepared, characterized and its metal-ion sensing property was evaluated with the aid of spectroscopic, microscopic and energy dispersive X-ray analysis. These nanoparticles detect Hg2+, Pb2+ and Cr3+ with colour change due to inter particle plasmon coupling because of metal-induced aggregation of the nanoparticles.

Synopsis: Novel ferrocene-pyrazolo[1,5-a]pyrimidine hybrids were synthesized and investigated for their anti-oxidant, anti-bacterial and anti-biofilm properties. Almost all of the new compounds mentioned have anti-oxidant capabilities and a few of them also exhibited anti-bacterial and anti-biofilm properties

A new organic-inorganic compound based on Keggin anions and Cobalt (II)ions, namely [Co(C₂H₂OS)₆]₂[HPMo₁₁O₃₉Co(C₂H₆OS)].2(C₂H₆OS)2.5(H₂O) (1) was synthesized and characterized by single-crystal X-Ray diffraction, IR, thermal analyses and cyclic voltammetry. The catalytic ability of (1) for decolorization of Crystal violet dye from aqueous solutions has been investigated.

MCM-41 supported Cu and Fe with magnetic core (Fe₃O₄@Fe-Cu/MCM-41) was prepared and applied as a nanostructured catalyst in the Buchwald-Hartwig C-N cross-coupling reaction. The catalyst with Si:Cu:Fe molar ratio of 60:1.5:1 has better catalytic performance and can be recovered and reused several times without any significant decrease in activity.

This work reports the formation of Ni₉S₈/Ni(OH)₂/NF heterojunctions by sulfiding Ni(OH)₂ on porous nickel foam. Surprisingly, these Ni₉S₈/Ni(OH)₂/NF heterojunctions exhibit excellent oxygen evolution reaction performance and long-term stability. This is superior to most reported electrocatalysts for oxygen evolution reactions.

Copper-based metal-organic framework, Cu-bpy-MOF is synthesized on activated carbon (AC) via ex-situ and in-situ). in-situ) synthesis is found to usher in firm adsorption of Cu-bpy-MOF on carbon surfaces through the surface functional groups of AC. High-temperature pyrolysis gives Cu-bpy-MOF/AC-I/800 catalyst, which is then tested for oxygen reduction reaction (ORR).

Positive nitrogens on the surface of MOF1 pores are suitable sites for the adsorption of fluoride ions through electrostatic interactions, leading to the efficient removal of fluoride from the aqueous solution by this zwitterion metal-organic framework.

PCL-b-(PECH-g-PMMA)-b-PCL block-graft terpolymer was synthesized and evaluated by ATRP of a vinyl monomer and ROP of a lactone using a bifunctional PECH initiator, which allows both ATRP and ROP in one step. This work is an example of a new type of simultaneous one-step reaction, ATRP, and ROP. This can open the door for diverse block-graft terpolymer synthesis, which could potentially lead to great advances in the area of macromolecular chemistry.

Nanodiatomite@melamine-SO₃H as a novel heterogeneous catalyst was successfully developed and defined through several techniques. The catalyst showed excellent catalytic activity in the xanthene synthesis. The good points of this methodology are ease of product isolation, catalyst efficiency and recycling, cleaner reaction profile, and the procedure agreement with the green chemistry.

Two mononuclear heteroleptic Ru(II) photosensitizers [1](ClO₄) and [2](ClO₄)₂ containing 2-(1H-benzo[d]imidazol-2-yl)quinoline ligand were synthesized and investigated via FT–IR, 1H NMR, ESI mass spectra, UV–vis, time-resolved photoluminescence spectroscopy, X-ray structure, etc. Both [1](ClO₄) and [2](ClO₄)₂ showed great promises for electrochemical reduction of carbon dioxide in dry acetonitrile.

By employing the DFT/TD-DFT methods, the non-linear optical and charge transport properties of N-(4-methoxybenzylidene)isonicotinohydrazone (L1), 2,2’-bipyridine (L2) and their Fe²⁺, Ni²⁺, Cu²⁺, Pd²⁺ and Pt²⁺ complexes were evaluated. The results reveal that the Pt2+ complex can be used as an ambipolar material in the advancement of optoelectronic engineering.

This work describes a very simple, efficacious, and regioselective synthesis of hitherto unreported benzotriazole-triazole conjugates via copper-catalyzed azide-alkyne cycloaddition. The current protocol avoids the use of any reducing agent, which makes this protocol a better route for the synthesis of 1,4-disubstituted product.

HKUST-1 exhibited high adsorption capacity towards Nd (III) and Sm (III). The reason behind the material displaying a more robust affinity for Sm(III) was caused by that the energy difference between fⁿ and fⁿ⁺¹ states of Sm(III) was larger than that of Nd(III), thus forming stronger covalent bonding.

The effect of non-local Hartree-Fock exchange term of DFT functionals on the vibrational description is assessed for PBE0, B3LYP, and B2PLYP. The sensitivity of the accuracy of harmonic and anharmonic vibrational frequencies with the HF exchange differs for different types of vibrations. The wavenumbers decrease systematically with the increasing HF exchange in the functional. The magnitudes of minimum errors with optimum values of the HF exchange terms differ from the default formulation.

Mn-Co co-doped TNU-9 catalyst was successfully synthesized by simple ion exchange method and applied in the NH₃-SCR. The results show that Mn-Co/TNU-9 catalyst has an excellent wide activity window in a wide temperature range of 150-450°C (NO_x conversion over 90%), which is because Mn+Co²⁺↔Mn+Co improves the redox performance and facilitates the electron transfer, which further accelerates the oxidation of NO into NO₂ that could result in the “Fast SCR” reaction. The synergistic effect between Mn and Co bimetallic can also improve activity. Moreover, Mn-Co/TNU-9 has very good catalytic stability.

In the presence of alkylamine, iodide ions derived from ionic sources (HI and KI) create 2D microplates, whereas molecular iodine produces wafer-like Cu nanostructures. Cu microplates, on the other hand, cannot be made from CuI in the presence of alkylamine, demonstrating the importance of the precursor's binding strength in the production of Cu microplates.

A high-efficiency adsorbent ZIF-8 was successfully prepared in a microemulsion system provided by an ionic liquid. The ZIF-8 materials prepared not only had high BET specific surface area and pore volume but also exhibited hierarchical pore structure, which showed excellent potential for removing phosphate from water.

Extraordinary water oxidation capacity to O₂ in sunlight was achieved with a thin-film form of Au-CeTiO₂-NR by efficient light absorption followed by effective electron trapping in gold. This minimizes charge recombination and hence minority carriers were efficiently utilized. Reduction in overpotential, Fermi level equilibration and PIRET process due to nano-gold significantly improve the water oxidation capacity in a sustainable manner.

Phosphenium cation acts as an electrophilic reagent and accepts σ electrons of oxygen in oxirane to form a four-membered ring product. The introduction of substituents will decrease the positive charge on phosphorus in phosphenium cation, which reduced the stability of the products.

This manuscript discusses a simple/efficient approach for the synthesis of flavopeptide conjugates as a true model for covalently-liked-flavoenzymes. Coupling reaction between the suitably functionalized flavin moiety and the pre-synthesized peptide entities was envisaged and undertaken to prove the generality of the approach. Further photophysical investigation including quantum yield measurements, concentration-dependent studies and fluorescence quenching experiments reveal the intramolecular nature of the charge transport process in cases where tyrosine is present, similar to that found in the natural counterpart. Such a synthetic flavopeptide model may provide a further investigation to provide an insight into the corresponding biological phenomenon.

Herein, we developed a facile synthetic strategy to spiro hydantoin and thiazolidine derivatives bearing unusual amino acid skeleton through the coupling of 1,2,4,5-tetrakis(bromomethyl) benzene with ethyl isocyanoacetate (EICA) as a glycine equivalent.

Drug repurposing strategy against SARS-CoV₂ drug targets. Computational analysis was performed to identify repurposable approved drug candidates against SARS-CoV₂ using approaches such as virtual screening, molecular dynamics simulation and MM-PBSA calculations. Four drugs namely venetoclax, tirilazad, acetyldigitoxin, and ledipasvir have been selected as potential candidates.

Selective α-aminoxylation was achieved on corresponding aldehyde with great enantiomeric excess to get intermediate (5) using catalytic amount of low cost proline. The oxazolidinone ring was then constructed on common intermediate (5) which was then further converted to Oxazolidinone class compounds like Sutezolid and Eperezolid.

Synopsis: Three new Co(II) complexes of 2-(bis(pyridin-2-ylmethyl)amino)acetate (L) are prepared. Reactivity of the complexes with aerial dioxygen, in presence of Et₃N, invariably produced Co(III) complexes having the common complexed cation [Co(L)(picolinate)]+. Picolinate is generated due to the oxidative cleavage of bound L.

The reaction of Fe₃(CO)₁₂ with 2-mercaptobenzimidazole led to the formation of an unusual triiron carbene cluster as the major product and a diiron monothiolate complex as the minor product. The di- and triiron clusters displayed electrocatalytic activity in acetonitrile in the presence of either acetic acid or trifluoroacetic acid as proton sources.

Electrochemically co-deposited PdAu bimetallic materials embedded in N-[3-(trimethoxysilyl) propyl]ethylenediamine silicate (ES) sol-gel modified electrode (I/ES-Pd₇₅Au₂₅) displayed 8.7 and 3.2 times higher methanol oxidation current and mass activity when compared to the pristine I/ES-Pd₁₀₀ modified electrode due to ES silicate sol-gel supported mass interaction between PdAu alloy nanostructure with the analyte.

Comparison of the frequency dependent rotational friction among three different solvent systems considered – normal liquid (ethanol), deep eutectic solvent (acetamide/LiBr) and ionic liquid ([BMIM][BF₆]). Note the high frequency friction values for these solvents are very similar, although their zero frequency values differ quite considerably because of widely different viscosities.

Synopsis. Synthesis of several N-oxides using tungsten exchanged hydroxyapatite (W/HAP) in the presence of 30% hydrogen peroxide (H₂O₂) as an oxidant is presented. A process with aqueous H₂O₂, a cheap and clean oxidant with an active catalyst is developed to reduce waste production and meet the requirements of green chemistry.

Macro-RAFT agents were successfully synthesized in high yield by reacting S-dodecyl-S′-(α,α′-dimethyl-α″-acetic acid) tritiocarbonate (DDMAT) (R-2) with polyethylene glycols (Mn: 2000 Da and 8000 Da, respectively). Subsequently, the monomers methyl methacrylate (MMA) and N-isopropylacrylamide (NIPAM) were polymerized respectively using synthesized macro-RAFT agents. SEM images of PEG-b-PMMA block copolymers have shown that the copolymers have a microporous structure. The critical temperature values of the PEG-b-PNIPAM block copolymers are closer to that of the PNIPAM homopolymer, 32 °C, indicating their usability in drug delivery systems.

A highly efficient and environmentally friendly route for the one-pot multi-component construction of biologically active pyrazolopyranopyramidine derivatives by the reaction of aromatic aldehydes, hydrazine hydrate, ethyl acetoacetate, and barbituric acid under ultrasonication has been evolved. The reaction is promoted by starch@Fe₃O₄ at room temperature using water as solvent. The key features of the present reaction are the excellent yield of products, mild reaction condition, without column chromatography, reusability, and magnetically separable catalyst.

In this work, the effects of acid treatment and calcination process on the catalytic performance of SmMnO₃/cordierite monolithic catalyst for o-xylene oxidation were based on response surface methodology (RSM) through presenting a mathematical modeling and factorial analysis.

In this paper, we use the organic matter in the waste clay as the carbon source and nitrogen source and use the characteristics of clay in the waste clay to introduce iron ions into the reaction. After high-temperature calcination, we get Fe₃C/NC composite. Fe-N co-doping can expose more graphite defects and more active sites, which can also improve the electrocatalytic performance of ORR.

An environmentally benign protocol for the synthesis of 3,4-DHPMs has been developed using inexpensive molecular oxygen, visible light as green energy source and eosin Y as photoreceptor-cum-sensitizer. The utilized photoreceptor revealed its unique properties in rapid intersystem crossing, high photo and chemical stability, ease of separation and high catalytic efficiency.

An effective colorimetric chemosensor BTV was synthesized for detecting Cu²⁺. Sensor BTV showed a bathochromic shift (150 nm) with an explicit color change from colorless to pink to Cu²⁺. In addition, it could detect Cu²⁺ down to 0.37 μM and distinguish it from various metal ions through the test strip.

The wettability of the Poly-TPD hole transporting layer has increased with exposure to argon plasma. The treated cells with argon plasma under the power of 220 W and a treatment time of 5 s has the best interface between the perovskite and poly-TPD hole transporting layer leads to higher photovoltaic parameters.

Synopsis Commercially available dichloro[2,2^′-bis(diphenylphosphino)-1,1^′-binaphthyl]palladium(II) (BINAP.PdCl₂) homogeneous catalyst was used for the reduction of aryl azides to primary amines. The reactions were carried out in water and yields above 95% were obtained in a short time. Sodium borohydride was used as the reducing reagent. A number of aryl azide derivatives have been converted into primary amines, thanks to the hydrogen gas released by sodium borohydride with the help of water and catalyst.

After the exsolution, the Pt/LaCoO₃ is well-developed with smooth surface and some nanoparticles are homogeneously distributed on the surface of the samples. The exsolved Pt nanoparticles can accelerate the electron exchange process between the matrix and its adsorbed intermediates, and ultimately promote the electrochemical reaction kinetics.

Structural and electrical properties of Ti_0.95M_0.05O_2−δ (M = Ni, Cu, Zn) are reported for their plausible applications as SOFC electrolytes. Lower Ea of 1.08, 1.41, and 1.17 eV are obtained for TiO₂, Ni-TiO₂ and Zn-TiO₂, samples respectively. The Cu-TiO₂ showed comparable oxide ion conductivity with other potential electrolyte materials.

A facile method is developed to synthesis bis-amino thiazole from easily synthesised mono thiazole. A series of bis thiazole were obtained with free amino groups which can be used for late-stage synthesis of new bis heterocyclic compounds.

ZnCoPBAs show a face-centred cubic structure with a high density of Lewis acidic Co (II) /Zn (II) metal sites and basic -CN- groups. We successfully modified ZnCoPBAs with different organic ligands and their application in the cycloaddition of CO₂ and epoxides.

Sr-doped NdFeO₃ nanoparticles were synthesized by the simple co-precipitation method. The obtained Sr-doped NdFeO₃ nanoparicles have higher absorption in the visible region than in the UV range and the band gap value (E_g^- = 0.87–1.06 eV) is much lower than similar rare-earth perovskites synthesized by different methods.

Atovaquone is a well known antimalarial drug that has poor water solubility and low bioavailability. To overcome these challenges, a novel prodrug of Atovaquone has been synthesized. Synthesis, structural elucidation and reaction optimization studies of the novel prodrug has been explained with supportive experimental and spectral results. The collective experimental output enables large-scale manufacturing of the disclosed prodrug 3 with substantial high yields and purity.

Atmospheric corrosion of metal in contact with a thin electrolyte film via diffusion of dissolved oxygen coupled with oxygen reduction reaction and metal dissolution reaction in pseudosteady state.

High catalytic activity was observed with α- and β-K₆P₂W₁₈O₆₂, α-K₆P₂Mo₆W₁₂O₆₂ and α1-K₇P₂Mo₅VW₁₂O₆₂ Dawson-type for the oxidation of cyclohexanone, cyclohexanol or cyclohexanone/cyclohexanol mixture, in the hydrogen peroxide presence, to several oxygenated products. Adipic, levulinic and 6-hydroxyhexanoic acids are the main products. The peroxo- species formed in situ could be the active sites.

In this paper, we present two complexes, diaquabis [2-(1H-tetrazol-5-yl) pyrazinato]-Copper (II) (1) and Cobalt (II) (2), synthesized by microwave activation. They are characterized by spectral methods to confirm their structure. The complexes also degrade the dyes in the presence of UV. The complexes bind well to ct-DNA, cleave DNA, and exhibited anti-bacterial activity. Molecular docking is performed to show the effective inhibition of bacterial proteins.

* The present study highlights the conformational dependence of structure and redox potentials of 1,4-benzoquinone molecule using quantum chemical techniques. * It was observed that the planar molecule obtained the highest redox potential followed by skew ²S₆,⁶S₂ and boat ^3,6B, B_3,6, B_2,5 conformers that have more negative LUMO energies. * Further, it was noted that the redox potentials of 1,4-BQ conformers are more effectively predicted at the B3LYP/6-31+G^* level of theory employing ethylene carbonate solvent.

Synopsis: Dramatic changes in the stability of carbanion complexes with the replacement of a hydrogen atom by lithium.

Synthesis and characterization of heteroatom co-doped graphenes using CVD, Pyrolysis and hydrothermal techniques are reported and their electrochemical behaviors evaluated. The results represent the high dependence of ORR activity of the prepared electrocatalysts to the synthesis method and the electrocatalyst via pyrolysis method shows high selectivity for the 4e^- reduction.

In this study, we reported that Cucurbit[8]uril (Q[8]) was used as the carrier of P-aminobenzenesulfonamide and sulfamethoxazole. The experimental results show that the main driving forces of the system are hydrogen bond and ion-dipole interaction and two new supramolecular self-assemblers were constructed.

Weak noncovalent interactions stabilise higher order clusters of protonated dopamine leading to red shift in the UV-visible spectra as shown by quantum chemical calculations.

Hybrid thermochromic hydrogels HPC-PVA were designed by one-step hydrothermal method categories. The hydrogels could increase the temperature-responsive of smart hydrogels, enhance solar modulation and have high luminous transmission.

The reaction of [(arene)MCl₂]₂ with 4, 5- diazafluorene-9-one (dafo) and derived Schiff-base ligands yielded mononuclear cationic complexes having the general formula [(arene)MLCl]PF₆^-. Some of the complexes exhibited antibacterial activity against Gram-positive bacteria. Results also show that the compounds possess prominent antioxidant activity against DPPH radicals.

2-aminopyridine Cadmium(II) meso-chlorophenylporphyrin coordination compound abbreviated as [Cd(TClPP)(2-NH₂Py)] was synthesized and characterized. This compound shows interesting antibacterial properties. The molecular docking approach suggests that [Cd(TClPP)(2-NH₂Py)] has higher binding affinity with hydrogen bonding interactions.

Molecularly Imprinted Polymers for triphenylphosphine oxide (MIPs-TPPO) were first synthesized and evaluated. The effects of monomer types, binding time, and reusability were investigated. It was found that MIPs-TPPO showed high efficiency with only one hour of binding time and at least five times reusability.

Synopsis. 5-(benzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione derivatives could interact with ctDNA. MD simulation indicated that m- and p-chlorophenyl derivatives selectively bind to AT and CG-rich DNA strands respectively. The order in HOMO energies was compatible with absorption titration result that demonstrated the order of Ka as 4-OH > 4-Cl > 3-Cl.

A highly chemo- and diastereoselective vic-dibromination of olefins has been developed. The process employs a readily available N-Bromosuccinimide (NBS)/DMSO reagent system as a bromine source. High substrate scope, simple reaction conditions, application to natural products and glycals makes the process very attractive.

The synthesis of (5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl) methanone (IV), as the key intermediate in the preparation of zolazepam, via chlorination of (5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl) methanone (III) which was prepared by acylation of 1,3-dimethyl-5-pyrazolone (I) by II is reconsidered. Different aspects of each step (reaction conditions, side products and workup procedure) were considered and the products and side products were characterized via ¹H NMR, ¹³C NMR and GC-MS techniques.

The present work deals with the functionalization of copper (0) nanocluster onto mercaptopropyl silica ligated with 2-bromopyridine and its applications for the C–O and C–N bond-forming reactions.

Synopsis: A mild and efficient route for the one pot synthesis of isoxazole derivatives has been developed using pyruvic acid as a catalyst under aqueous medium. The reaction was carried out under conventional as well as ultrasonic condition to afford the desired product in good yield.

The activation of C-F bond in 1-fluorobutane, 1, 1-difluorobutane and 1, 1, 1-trifluorobutane by B(C₆F₅)₃/lutidine and Al(C₆F₅)₃/lutidine pairs has been assessed computationally. The Al(C6F5)3/lutidine pair is superior to the B(C6F5)3/lutidine pairs for such unusual bond activation as revealed by this study.

In this contribution, we report the preparation of iron thiosulfonato complex CpFe(CO)₂SeSO₂CH=CHPh (1) and its selenosulfonato analogue CpFe(CO)₂SeSO₂CH=CHPh (2) featuring styrene moiety. 1 and 2 are obtained by electrophilic attack of (μ-E_x)[CpFe(CO)₂]₂ (E = S; x = 2–4, E = Se; x = 1) on the sulfur atom of styrene sulfonyl chloride ClSO₂CH=CHPh. The new compounds, 1 and 2 have been characterized by elemental analyses, IR, 1H-, 13C{1H}-NMR, UV–Vis spectroscopy and the structure of 2 is determined by X-ray crystallography..

The pure ligand, Cu-trizImEA and Zn-trizImEA compounds were induce and stabilize, selectively antiparallel G-quadruplex conformation on d(TTAGGG)_n under no salt conditions. The formed G-quadruplexes were thermodynamically stable and irreversible, thus resulting in proficient antitelomerase and anticancer activity, in-vitro.

The energy conversion of PEM fuel cell occurs through HOR and ORR in presence of suitable catalyst(s). High surface area of the catalyst(s) is desirable for better performance of the cell. The best assembled MEA with low loaded co-sputtered PtTi binary catalyst exhibits maximum power density of 0.604 W cm^-2.

Carbon nano onion (CNO) under aerial oxygen on exposure with visible light generates ROS which is capable to rupture the lipid envelope of SARS-CoV-₂ followed by disintegrating its RNA.

The dual-sensing nature [Fe(III) and Pb(II)] of ML is described through Intensity Vs Wavelength graphs. TiO₂ sensing nature of ML is also described by KSV graph. The logic gate application of ML is pictorially represented with a truth table and bar graph.

Synopsis This article reports the synthesis of a total of eight derivatives of N-(5-acetyl-4-methylthiazol-2-yl) Arylamide derivatives. The products obtained in good to excellent yield represents drug-like molecules with a well-developed structure-activity relationship.

Iron-mediated efficient multi-component method has been demonstrated for the synthesis of substituted cyanamides from isothiocyanates under mild reaction conditions. Subsequent nucleophilic addition and desulfurization are involved in this proposed synthetic methodology.

* Polyethylene glycol crowned silver nanoparticles have designed and synthesized for selective fluoride sensing in aqueous medium. * Sensing occurrences explained with FSEM and UV-Visible spectroscopic techniques *NPs exhibits good limit of detection 0.0016 mg/L that is less than desirable limit 0.05 mg/L

A series of tetrahydrobenzo[b]pyrans derivatives were synthesized with substituted pyrazole carbaldehydes, malononitrile and dimedone using eco-friendly L-proline as a catalyst in aqueous ethanol. We also report the examination of the synthetic protocol by green chemistry metrics suggests that synthetic protocol has green relevance. Anti-inflammatory activity and antioxidant activity for tetrahydrobenzo[b]pyran derivatives are performed. Some of the synthesized compounds showed excellent anti-inflammatory as well as antioxidant activity.

The synthesized novel compound based on catalytic functional metal rhenium, pyridinium perrhenate(PyHReO₄) exhibit excellent catalytic activity. The system with PyHReO₄ as a catalyst provided an effective, easy separation, mild and convenient method in two different types of reactions(One is the epoxidation of cyclooctene, the other is the Baeyer-Villiger oxidation of 2-adamantanone).

Synopsis Recent surge in the application of machine learning (ML) methods in fundamental sciences has led to a perspective that these methods may become important tools in chemical science. This perspective provides an overview of the modern ML methods and their successful applications in chemistry during the last few years.

Solubility of the hydrogen was determined experimentally in pure toluene, cinnamaldehyde, water, aqueous KOH and in mixtures of cinnamaldehyde+ toluene, biphasic reaction mixture for cinnamaldehyde hydrogenation (containing cinnamaldehyde + toluene + aq. KOH) in the temperature range of 298-353 K. The same was predicted using a thermodynamic model.