Synthesis of Copper Oxide-Based Nanoformulations of Etoricoxib and Montelukast and Their Evaluation through Analgesic,Anti-Inflammatory,Anti-Pyretic,and Acute Toxicity Activities

Copper oxide nanoparticles (CuO NPs) were synthesized through the coprecipitation method and used as nanocarriers for etoricoxib (selective COX-2 inhibitor drug) and montelukast (leukotriene product inhibitor drug) in combination therapy. The CuO NPs, free drugs, and nanoformulations were investigated through UV/Vis spectroscopy, FTIR spectroscopy, XRD, SEM, and DLS. SEM imaging showed agglomerated nanorods of CuO NPs of about 87 nm size. The CE1, CE2, and CE6 nanoformulations were investigated through DLS, and their particle sizes were 271, 258, and 254 nm, respectively. The nanoformulations were evaluated through in vitro anti-inflammatory activity, in vivo anti-inflammatory activity, in vivo analgesic activity, in vivo anti-pyretic activity, and in vivo acute toxicity activity. In vivo activities were performed on albino mice. BSA denaturation was highly inhibited by CE1, CE2, and CE6 as compared to other nanoformulations in the in vitro anti-inflammatory activity. The in vivo bioactivities showed that low doses (5 mg/kg) of nanoformulations were more potent than high doses (10 and 20 mg/kg) of free drugs in the inhibition of pain, fever, and inflammation. Lastly, CE2 was more potent than that of other nanoformulations.     

Syntheses and crystal structures of mixed-ligand copper(II)–imidazole–carboxylate complexes

The syntheses, characterization, and crystal structures of the reaction products of Cu²⁺ with imidazole (Himz) and different aromatic carboxylates, viz.: [Cu(Himz)₂(cinn)₂(H₂O)] (1), [Cu(Himz)₂(paba)₂] (2) and [Cu(Himz)₂(clba)₂] (3) (cinn^– = C₉H₇O₂^–, paba^– = C₇H₆NO₂^–, clba^– = C₇H₄ClO₂^–) are described and studied by spectroscopic (UV–visible, FTIR) measurements. Single-crystal X-ray diffraction analyses indicate that each complex is monomeric. The metal ion in 1 adopts square-pyramidal coordination geometry arising from two imidazole nitrogens, two cinnamate oxygens, and an apical aqua. The metal ions of 2 and 3, however, assume a square planar configuration, which is realized by coordination of two nitrogens of two imidazoles and two oxygens; in both complexes, the imidazole moieties are trans to each other. TGA results indicate that upon heating, these complexes lose their carboxylate anions first, followed by removal of the imidazole molecules.     

Heat transfer mechanisms in poplar wood undergoing torrefaction

Torrefaction, a thermal treatment process of biomass, has been proved to improve biomass combustible properties. Torrefaction is defined as a thermochemical process in reduced oxygen condition and at temperature range from 200 to 300 °C for shorter residence time whereby energy yield is maximized, can be a bridging technology that can lead the conventional system (e.g. coal-fired plants) towards a sustainable energy system. In efforts to develop a commercial operable torrefaction reactor, the present study examines the minimum input condition at which biomass is torrefied and explores the heat transfer mechanisms during torrefaction in poplar wood samples. The heat transfer through the wood sample is numerically modeled and analyzed. Each poplar wood is torrefied at temperature of 250, 270, and 300 °C. The experimental study shows that the 270 °C-treatment can be deduced as the optimal input condition for torrefaction of poplar wood. A good understanding of heat transfer mechanisms can facilitate the upscaling and downscaling of torrefaction process equipment to fit the feedstock input criteria and can help to develop treatment input specifications that can maximize process efficiency.     

Calorimetry and thermal analysis studies on the binding of 13-phenylalkyl and 13-diphenylalkyl berberine analogs to tRNAphe

The interaction of 13- monophenylalkyl and diphenylalkyl berberine analogs with tRNA^phe has been investigated using various thermochemical techniques like thermal melting, isothermal titration calorimetry, and differential scanning calorimetry experiments. Thermal melting studies revealed that all the analogs stabilized the tRNA^phe better than berberine. The binding affinity for the analogs was of the order of 10⁵ M^?1. Calorimetry results suggested that the binding of these analogs was predominantly entropy driven with small negative enthalpy contribution to the standard molar Gibbs energy. The temperature dependence of the standard molar enthalpy changes yielded negative values of standard molar heat capacity changes for the complexation revealing substantial hydrophobic contribution in the RNA binding of these analogs. An enthalpy–entropy compensation behavior was also seen in all the systems. The diphenylalkyl analogs were found to be more effective tRNA^phe binders compared to the monophenylalkyl analogs. The utility of the present work lies in understanding the structural and energetic aspects of the interaction of these berberine analogs with tRNA, which may be useful in the development of RNA-targeted drugs.     

Synthesis of 8-Aroyl-9-hydroxy-7,9,11-triaryl-3-oxo(or thioxo)-2,4-diazaspiro[5.5]undecane-1,5-diones

A number of 8-aroyl-9-hydroxy-7,9,11-triaryl-3-oxo(or thioxo)-2,4-diazaspiro[5.5]undecane-1,5-diones 3a–g were synthesized from the reaction of 1,3-diaryl-2-propen-1-ones 2a–d with barbituric acid 1a and 2-thiobarbituric acid 1b in 50% aqueous ethanol under refluxing conditions without using any catalyst. The structures of the compounds were confirmed by ultraviolet, infrared, ¹H and ¹³C NMR, mass, and elemental analysis.     

Oxime derivatives as α-electrophiles. from α-tetralone oximes to tetracyclic frameworks

When subjected to the conditions of a Semmler-Wolff/Schroeter aromatization, the oximes of 4-benzyl-substituted tetralones undergo an electrophilic aromatic substitution reaction to form tetracyclic frameworks.     

Exploring the potential of fluoro-flavonoid derivatives as anti-lung cancer agents: DFT,molecular docking,and molecular dynamics techniques

The present investigation utilized in silico methodologies to explore the diverse pharmacological activities, toxicity profiles, and chemical reactivity of a series of fluoro-flavonoid compounds ( 1 – 14 ), which are secondary metabolites of plants known for their broad range of biological effects. A comprehensive strategy is utilized, incorporating methods such as prediction of activity spectra for substances (PASS) prediction, absorption, distribution, metabolism, excretion, and toxicity (ADMET) assessments, and density functional theory (B3LYP) calculations using three basis sets: 6-31G(d,p), 6-311G(d,p), and 6-311++G(d,p). Furthermore, the study employed molecular docking technique to identify target proteins, including HER2 (7JXH), EGFR (4UV7), FPPS (1YQ7), HPGDS (1V40), DCK (1P60), and KEAP1 on Nrf2 (1X2J), for the investigated compounds, with cianidanol and genistein serving as reference drugs for the docking process. The investigated fluoro-flavonoid compounds exhibited significantly greater binding affinities (ranging from −8.3 to −10.6 kcal mol⁻¹) toward HER2, HPGDS, and KEAP1 compared to the reference drugs, cianidanol and genistein, which displayed binding affinities ranging from −8.4 to −9.4 kcal mol⁻¹. Furthermore, molecular dynamics simulations were conducted to assess the stability of the protein-ligand interaction, using the root-mean-square deviation (RMSD), root-mean-square fluctuation (RMSF), Radius of gyration (Rg) parameters and principle component analysis (PCA). Among the tested fluoro-flavonoid analogs, analog 11 showed a RMSD value of .15 nm with the HER2 protein target, indicating a stable interaction. Based on in silico results, it appears that the fluoro-flavonoid compound 11 has the potential to serve as a targeted anti-lung cancer drug. However, additional in vivo and in vitro studies are necessary to confirm this hypothesis.     

An efficient protocol for the synthesis of highly sensitive indole imines utilizing green chemistry: optimization of reaction conditions

Novel and highly sensitive indole-based imines have been synthesized. Their synthesis has been compared employing a variety of protocols. Ultimately, a convenient, economical and high yielding set of conditions employing green chemistry have been designed for their synthesis.     

A developed high-performance thin-layer chromatography method for the determination of baicalin in Oroxylum indicum L. and its antioxidant activity

JPC – Journal of Planar Chromatography – Modern TLC - A simple, accurate, precise, and specific high-performance thin-layer chromatography (HPTLC) method for the quantitative...