Microwave-assisted synthesis of base-modified fluorescent 1,4-dihydropyridine nucleosides: photophysical characterization and insights.

A synthesis of a small library of fluorescent 1,4-dihydropyridine nucleoside analogues has been successfully carried out under solvent-free conditions a one-pot three-component Hantzsch condensation reaction. The process involved a Ba(NO) catalyzed solvent-free reaction between 3',5'-di--acetyl-5-formyl-2'-deoxyuridine, differently substituted β-keto ester and ammonium acetate under microwave irradiation. This facile methodology yielded the desired products with very high yields (86-96%) under solvent-free reaction conditions in a short reaction time, which was followed by a simple workup.

Chitosan supported ionic liquid, a multifaceted catalyst for streamlined and efficient synthesis of carboxylic, amino acid and carbohydrate esters.

This work presents a sustainable approach for synthesizing esters from carboxylic acids, amino acids and carbohydrates using a robust and eco-friendly chitosan-incorporated ionic liquid under solvent-free conditions. Ionic liquids with carbon chain lengths ranging from 3 to 8 were integrated into the chitosan molecule, resulting in a heterogeneous catalyst optimized for esterification reactions. Among these, the 6-carbon chain ionic liquid demonstrated superior catalytic activity and substrate tolerance.

FeO/PANI/CuI as a sustainable heterogeneous nanocatalyst for A coupling.

The prepared copper iodide nanoparticles were impregnated on the support of ferrite nanoparticles functionalized with polyaniline, resulting in a magnetically recoverable heterogeneous nanocomposite. The activity of the prepared nanocomposite was investigated in the synthesis of propargylamine derivatives A coupling under mild conditions. Techniques such as FESEM, EDAX, XRD, XPS, TEM, BET and FTIR were used to characterize the effective and unique heterogeneous FeO/PANI/CuI nanocomposite developed in this work.

An innovative Schiff-base colorimetric chemosensor for the selective detection of Cu ions and its applications.

A novel Schiff base moiety, ()-4-(1-hydrazonoethyl)benzene-1,3-diol (2), and 2,4-dihydroxybenzaldehyde were condensed in a 1 : 1 molar ratio to generate 4-(()-1-((()-2,4dihydroxybenzylidene)hydrazono)ethyl)benzene-1,3-diol (L), which was then characterized using high-resolution mass spectrometry (HRMS), H-NMR, C NMR, and single-crystal XRD techniques. UV-vis absorbance measurements were used to determine whether the Schiff base could detect the cupric ions more effectively than the other transition metal ions. When Cu ions were involved, a new band was observed at 462 nm.

5-Aminoisophthalate-based kojic acid-appended bis-1,2,3-triazole: a fluorescent chemosensor for Cu sensing and study.

A new, easy-to-prepare, and highly selective fluorescent chemosensor, , 5-aminoisophthalate-based kojic acid-appended bis-1,2,3-triazole, was synthesized from an alkyne of 5-aminoisophthalic acid and azido-kojic acid using Cu(i)-catalyzed click chemistry and then successfully characterized. The alkyne structure of 5-aminoisophthalic acid, 1, was supported by the single-crystal X-ray crystallographic data. The fluorescent probe 3 was found to be highly selective for Cu ions supported by the Job's plot with a stoichiometric ligand : metal ratio of 2 : 1, exhibiting almost a two-fold enhancement in the emission intensity upon the addition of Cu ions (0-25 μM) with a detection limit of 8.

Recent advances in the synthesis and utility of thiazoline and its derivatives.

Thiazolines and their derivatives hold significant importance in the field of medicinal chemistry due to their promising potential as pharmaceutical agents. These molecular entities serve as critical scaffolds within numerous natural products, including curacin A, thiangazole, and mirabazole, and play a vital role in a wide array of physiological reactions. Their pharmacological versatility encompasses anti-HIV, neurological, anti-cancer, and antibiotic activities.

Design, synthesis and evaluation of newer 1,4-dihydropyridine based amlodipine bio-isosteres as promising antihypertensive agents.

Hypertension remains a major global health concern, prompting ongoing research into innovative therapeutic approaches. This research encompasses the strategic design, synthesis, and computational assessment of a novel series of 1,4-dihydropyridine based scaffolds with the objective of developing promising antihypertensive agents as viable alternatives to the well-established dihydropyridine based drugs such as amlodipine, felodipine, nicardipine, The crystal structure of the lead compound determined using X-ray crystallography offers crucial insights into its 3D-conformation and intermolecular interactions. molecular docking experiments conducted against the calcium channel responsible for blood pressure regulation revealed superior docking scores for all the bioisosteres P1-P14 than the standard amlodipine, indicating their potential for enhanced therapeutic efficacy.

1,3-Dianionic annulation of ketones with ketene dithioacetal: a modified route to 3-aryl/cyclopropyl-5-thiomethyl-phenols and 1-(methylthio)-9,10-dihydrophenanthren-3-ols.

A simple and efficient base-mediated [3 + 3] cyclization of 1,3-dianionic ketones with 3,3-bis(methylthio)-1-arylprop-2-en-1-ones was developed to afford 3-hydroxy-biaryls, hydroxy-xylenes, and hydroxy-teraryls. Various tri- and tetra-substituted phenols were prepared from different symmetric and asymmetric ketones. The reaction of 2-(bis(methylthio)methylene)-3,4-dihydronaphthalen-1(2)-ones with different ketones provided 1-(methylthio)-9,10-dihydrophenanthren-3-ols in very good yield.

Design, synthesis, molecular docking and DFT studies on novel melatonin and isatin based azole derivatives.

In order to address the pressing demand for newer broad-spectrum antifungal medicines with enhanced activity, computer modelling was utilised to rationally develop newer antifungal azole-based drugs. Based on the drug and active sites of the 14 alpha-Demethylases (LAD) of the prominent fungal pathogen interaction, Novel triazole-linked melatonin and isatin derivatives 7a-d and 8a-d were synthesised using bioisosterism. Besides the experimental synthesis and subsequent characterization, the present study focused on obtaining optimised geometries, frequency calculations, and TD-DFT studies of the synthesised molecules.

Design, synthesis, X-ray crystal structures, anticancer, DNA binding, and molecular modelling studies of pyrazole-pyrazoline hybrid derivatives.

We have designed and synthesized three pyrazole analogs (4, 5a, 5b), pyrazole-based chalcones (6a-6d) and (8a-8h), and -formyl/acetyl 1,3,5-trisubstituted pyrazoline analogs (7a-7d), (9a-9d). FT-IR, H, C NMR, and mass spectrometry techniques were used to describe the structures of all the synthesized analogs. The single crystal X-ray method was used to identify the molecular structure of derivatives 4 and 5a.

Effect of redox reactions on the thermoluminescence characteristics of Cu-doped NaLiPO phosphors.

A Cu-doped NaLiPO phosphor material was successfully synthesized through the high-temperature solid state diffusion method. It was mainly doped with CuCl and CuCl salts for impurities in the form of Cu and Cu, respectively. Formation of the material in the single phase of the phosphor material was confirmed by powder XRD.

Tunable electronic structure of heterosite FePO: an in-depth structural study and polaron transport.

The development of better electrode materials for lithium-ion batteries has been intensively investigated both due to their fundamental scientific aspects as well as their usefulness in technological applications. The present technological development of rechargeable batteries is hindered by fundamental challenges, such as low energy and power density, short lifespan, and sluggish charge transport kinetics. Among the various anode materials proposed, heterosite FePO (h-FP) has been found to intercalate lithium and sodium ion hosts to obtain novel rechargeable batteries.

A pyridine dicarboxylate based hydrazone Schiff base for reversible colorimetric recognition of Ni and PPi.

A pyridine dicarboxylate Schiff-base DAS was synthesized for cascade colorimetric recognition of Ni and PPi. The selectivity and sensitivity of chemosensor DAS was investigated through colorimetric and UV-vis studies in MeOH-PBS (5 : 1, v/v, pH = 7.4).

Exploring the untapped catalytic application of a ZnO/CuI/PPy nanocomposite for the green synthesis of biologically active 2,4,5-trisubstituted imidazole scaffolds.

This work is focused on designing an innovative, efficient, and reusable heterogeneous ZnO/CuI/PPy nanocomposite the self-assembly approach where pyrrole is oxidized into polypyrrole (PPy) and pyrrole also behaves as a reductant in the presence of KI. This so-obtained material was characterized by XRD, FTIR, FESEM, EDX, TEM, XPS, and ICP. TEM clearly shows a spherical morphology with the particle size ranging between 18 and 42 nm.

Rhodium-catalyzed selenylation and sulfenylation of quinoxalinones 'on water'.

A rhodium-catalysed, regioselective synthetic methodology for selenylation and sulfenylation of 3-phenyl quinoxolinones has been developed through N-directed C-H activation in the presence of silver triflimide, and silver carbonate using dichalcogenides 'on water'. The methodology has been proven to be efficient, regioselective and green. Using this method, a range of selenylations and sulfenylations of the substrates has been carried out in good to excellent yields.

Recent updates on the biological efficacy of approved drugs and potent synthetic compounds against SARS-CoV-2.

The novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), also known as COVID-19, has triggered a global pandemic that has prompted severe public health concerns. Researchers worldwide are continuously trying to find options that could be effective against COVID-19. The main focus of research during the initial phase of the pandemic was to use the already approved drugs as supportive care, and efforts were made to find new therapeutic options.

Microwave assisted regioselective halogenation of benzo[][1,4]oxazin-2-ones sp C-H functionalization.

A microwave assisted, palladium-catalyzed regioselective halogenation of 3-phenyl-2-benzo[][1,4]oxazin-2-ones has been demonstrated using inexpensive and readily available -halosuccinimide. The reaction utilizes the nitrogen atom present in the heterocyclic ring as the directing group to afford regioselective halogenated products in good to moderate yields. The established protocol provides wide substrate scope, high functional group tolerance, and high atom and step economy.

An efficient approach for the green synthesis of biologically active 2,3-dihydroquinazolin-4(1)-ones using a magnetic EDTA coated copper based nanocomposite.

2,3-Dihydroquinazolinone derivatives are known for antiviral, antimicrobial, analgesic, anti-inflammatory, and anticancer activities. However, recent approaches used for their synthesis suffer from various drawbacks. Therefore, we have fabricated a highly efficient magnetic EDTA-coated catalyst, FeO@EDTA/CuI a simple approach.

A simple protocol for determination of enantiopurity of amines using BINOL derivatives as chiral solvating agents H- and F-NMR spectroscopic analysis.

A rapid and simple protocol for the determination of enantiopurity of primary and secondary amines was developed by using ()-BINOL/()-BINOL derivatives/()-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate as chiral solvating agents H- and F-NMR spectroscopic analysis. In this protocol, the analyte and chiral solvating agent were directly mixed in an NMR tube in chloroform- and after shaking for 30 seconds the H- and F-NMR spectra were recorded, which affords well-resolved resonance peaks for both the enantiomers present in an analyte. The enantiomeric excess of 1,2-diphenylethylenediamine was determined and linear relationship with coefficient of = 0.

Synthesis of benzothiazole-appended bis-triazole-based structural isomers with promising antifungal activity against .

In order to explore new antifungal agrochemicals, we reported the synthesis of two series 5a-f, 6 and 7a-f, 8 of benzothiazole-appended bis-triazole derivative-based structural isomers using a molecular hybridization approach. The synthesized compounds were tested for fungal growth inhibition against the plant pathogen . All the synthesized compounds showed excellent antifungal activity in their minimum concentrations (10-0.

Sequence-specific recognition of a coding segment of human gene short pyrimidine/purine oligonucleotides.

With growing evidence of the roles of triplexes in biological processes, oligonucleotide-directed targeting of double-helical DNA for selective modulation of gene functions has become imperative in their therapeutic aspects. This study comprises a comparative investigation of 17-mer Py- and Pu-TFO for the formation of an intermolecular triplex with a 27-bp genomic homopurine-homopyrimidine track present in the transcriptional element of the human gene. The biochemical and biophysical studies have revealed that triplex formation takes place only with Py-TFO and not with its Pu-counterpart.

Computational methods directed towards drug repurposing for COVID-19: advantages and limitations.

Novel coronavirus disease 2019 (COVID-19) has significantly altered the socio-economic status of countries. Although vaccines are now available against the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a causative agent for COVID-19, it continues to transmit and newer variants of concern have been consistently emerging world-wide. Computational strategies involving drug repurposing offer a viable opportunity to choose a medication from a rundown of affirmed drugs against distinct diseases including COVID-19.

Pyranopyrazole based Schiff base for rapid colorimetric detection of arginine in aqueous and real samples.

A novel pyranopyrazole-based Schiff base PPS has been synthesized a condensation reaction between aldehyde and hydrazide derivatives of pyranopyrazole. The probe acted as a selective and sensitive chemosensor for the colorimetric detection of arginine under aqueous conditions with a detection limit of 1.8 × 10 M.