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The article discusses the synthesis of pyrano[2,3-d]pyrimidine diones using trityl chloride (TrCl) as a catalyst under neutral conditions. The compounds synthesized have various pharmacological activities, such as antitumor and antibacterial properties. TrCl was found to be an effective catalyst, providing good yields of products in short reaction times. The study highlights the potential of TrCl as a cost-effective and commercially available catalyst for the preparation of heterocycles. [Extracted from the article]

Three gold(III) nanostructured complexes of nicotinamide (nta), picolinic acid (pica), and isonicotinic acid (inta) were synthesized by the reacted of AuCl3 salt with nta, pica, and inta with 1:2 stoichiometry in the alcoholic medium. The solid products obtained were formulated by comparing experimental and calculated data for microanalytical (C, H, N) and metal. Both produce 1:2 compounds with metal ions. The prepared complexes were characterized by different physico-spectroscopic techniques. The FTIR, and 1H NMR spectral analysis, morphological analysis (scanning electron microscopy SEM, transmittance TEM, and X-ray powder diffraction XRD) of these complexes have been discussed. The conductive behavior of the complexes indicates that all of them behave as electrolytic behavior. The mononuclear gold(III) complexes have formulated as [Au(nta)2(Cl)2].Cl, [Au(pica)2].Cl and [Au(inta)2].Cl. The shifts of the ν(N-H) amino, ν(C=N) pyridine, and ν(C=O) carboxylic stretches have been monitored to find out the donor sites of the ligands. According to the experimental data, the three complexes can be characterized in the solid state as mononuclear, with a four-coordinate stereochemistry. [ABSTRACT FROM AUTHOR]

Two rare earth isonicotinic acid compounds [Y(HIA)2(H2O)4(NO3)](2NO3) ((1); HIA = isonicotinic acid) and [LaHg3Cl8(HIA)4]nnCl (2) were reported. Compound one features an isolated (0-D) structure, while compound two has a two-dimensional (2-D) structure. The rare earth ions are coordinated by eight oxygen atoms to display a square antiprismatic REO8 geometry. Compound one shows blue photoluminescence and it has CIE chromaticity coordinates of 0.2332 and 0.3104. The CCT of compound 1 is 13755 K. Compound two exhibits green photoluminescence and it has CIE chromaticity coordinates of 0.3663 and 0.6184. The CCT is 4997 K. Their band gaps are 2.86 and 3.12 eV. [ABSTRACT FROM AUTHOR]

Background: The awareness of the association between the gut microbiota and human intelligence levels is increasing, but the findings are inconsistent. Furthermore, few research have explored the potential role of gut microbial metabolites in this association. This study aimed to investigate the associations of the gut microbiota and fecal metabolome with intelligence quotient (IQ) in preschoolers. Methods: The 16 S rRNA sequencing and widely targeted metabolomics were applied to analyze the gut microbiota and fecal metabolites of 150 children aged 3–6 years. The Wechsler Preschool and Primary Scale of Intelligence, Fourth Edition (WPPSI-IV) was used to assess the cognitive competence. Results: The observed species index, gut microbiome health index, and microbial dysbiosis index presented significant differences between children with full-scale IQ (FSIQ) below the borderline (G1) and those with average or above-average (all P < 0.05). The abundance of Acinetobacter, Blautia, Faecalibacterium, Prevotella_9, Subdoligranulum, Collinsella, Dialister, Holdemanella, and Methanobrevibacter was significantly associated with preschooler's WPPSI-IV scores (P < 0.05). In all, 87 differential metabolites were identified, mainly including amino acid and its metabolites, fatty acyl, and benzene and substituted derivatives. The differential fecal metabolites carnitine C20:1-OH, 4-hydroxydebrisoquine, pantothenol, creatine, N,N-bis(2-hydroxyethyl) dodecanamide, FFA(20:5), zerumbone, (R)-(-)-2-phenylpropionic acid, M-toluene acetic acid, trans-cinnamaldehyde, isonicotinic acid, val-arg, traumatin, and 3-methyl-4-hydroxybenzaldehyde were significantly associated with the preschooler's WPPSI-IV scores (P < 0.05). The combination of Acinetobacter, Isonicotinic acid, and 3-methyl-4-hydroxybenzaldehydenine may demonstrate increased discriminatory power for preschoolers in G1. Conclusion: This study reveals a potential association between gut microbiome and metabolites with IQ in preschoolers, providing new directions for future research and practical applications. However, due to limitations such as the small sample size, unclear causality, and the complexity of metabolites, more validation studies are still needed to further elucidate the mechanisms and stability of these associations. [ABSTRACT FROM AUTHOR]

Lanthanide clusters with high magnetic entropy and an exquisite structure have always been a hot research direction. Herein, two delicately structured lanthanide clusters were synthesized using isonicotinic acid (HIN) as a ligand by the solvothermal method, namely {[Gd4(IN)4(μ3-OH)4(OAc)2(H2O)6]·Cl2·7H2O}n (1) and {[Dy4(IN)4(μ3-OH)4(OAc)2(H2O)6]·Cl2·8H2O}n (2). Structural analysis indicates that the two compounds exhibit comparable structures, and both have the same cubane-like Ln4 metal skeleton and form an interesting dragonfly molecular configuration by connecting to HIN. Moreover, {Ln4} serves as the fundamental structural unit for the construction of a 1D channel of 1, with a diameter of approximately 10.08 Å, which is connected to each other by extra {Ln4} units to form an exquisite porous 3D structure of 1. Cl− exists as an anion-template in its 3D structure, balancing the charge and maintaining its structural stability. Magnetic measurements indicate that 1 exhibits a rather satisfactory magnetic entropy change, reaching a maximum value of −ΔS maxm = 31.59 J kg−1 K−1 at 2 K for ΔH = 7 T. [ABSTRACT FROM AUTHOR]

A series of N-isonicotinoyl-3(5)-ferrocenyl-5(3)-substituted 1H-pyrazoles was obtained as the mixtures of the products by acylation of tautomeric forms of 3-ferrocenyl-5-substituted 1H-pyrazoles with isonicotinoyl chloride. The rate of hydrolysis of the synthesized compounds depended on the electronic effects of the substituents in the pyrazole ring and increased in the following order Me < Ph ≈ COOEt ≪ CF3. The hydrolysis rate of the synthesized compounds in acidic medium is significantly higher than under neutral conditions, which is associated with the possibility of the redistribution of electron density in the aromatic pyrazole ring upon the pyrazole protonation. The revealed regularities can be used for designing the redox and pH sensors, acylating agents, and antituberculosis agents active against isoniazid-resistant mycobacterium strains. [ABSTRACT FROM AUTHOR]

In this study, each cobalt tetra-aminophthalocyanine (CoTAPc) molecule was immobilised with four isonicotinic acid (INA) molecules by amide bonding, a novel and highly efficient catalyst pyridine-bridged cobalt tetra-aminophthalocyanine (CoTAPc-TINA) was synthesised. The introduction of INA molecules promoted CoTAPc to expose more active sites, and increased the electron cloud density of cobalt ions promoting O–O bond homolysis of PMS to generate more active species, which significantly enhanced catalytic activity. With the pharmaceutical of carbamazepine (CBZ) as model pollutant, 0.1 g/L CoTAPc-TINA in dark in the presence of 0.4 mM PMS, 98.8% CBZ was removed within 10 min. However, under the same conditions the removed of CBZ was only 58.9% by CoTAPc/PMS system. Radical capture experiments combined electron paramagnetic resonance technology demonstrate that hydroxyl radicals, sulphate radicals, superoxide radicals and singlet oxygen are the main active species in the CoTAPc-TINA/PMS system. As the reaction proceeded, all aromatic intermediates were transformed to small molecular acids by these active species. This investigation provided a new insight for application of metal phthalocyanine in wastewater treatment. [ABSTRACT FROM AUTHOR]

Computational analysis of four antifungal transition metal complexes of Co(II), Ni(II), Cu(II) and Zn(II) with pyridine carboxamide derivates (methyl 2-amino-3- methylbenzoate isonicotinic acid amide (L1) and methyl 2-amino-3-methylbenzoate picolinic acid amide (L2)) as ligands is provided here within the DFT framework. Geometry optimization, binding energy, HOMO-LUMO energy gap, Density of States (DOS) plots, and MEP surfaces have been calculated to rationalize the molecular structure of these complexes. The effect of noncovalent interactions on the crystal structure of these complexes has been deciphered using CE-B3LYP model instigated into CrystalExplorer using experimental geometries accessed from Cambridge Crystallographic Data Center (CCDC). These complexes are docked against Enterococcus Faecalis using AutoDock Vina to quantify binding energy between the complexes and protein accessed from the protein data bank (PDB). [ABSTRACT FROM AUTHOR]

Four alkyl chains and cyclohexane modified FeII complexes [Fe(Ln)(L')](ClO4)2⋅solv (n=1, 2, 3, 4) were synthesized and characterized. X‐ray diffraction study showed that these complexes were constituted by asymmetric mononuclear FeII entities, incorporating alkyl‐chain‐modified bppCOOH (2,6‐bis(1H‐pyrazol‐1‐yl)isonicotinic acid) ligands and 6,6"‐2,6‐dimethoxyphenyl‐substituted terpy ligand (L'). Magnetic susceptibility measurements revealed that complexes 1, 2, and 3 were in the high spin state across the measured temperature range, whereas complex 4 displayed an incomplete spin crossover phenomenon, with a transition temperature (T1/2) at 240 K. Investigations into variable‐temperature structure and magneto‐structural correlations revealed that the integration of alkyl‐chain‐modified bipyridyl units fostered the π⋅⋅⋅π intra‐ and intermolecular interactions, contributing to distinct crystal stacking and spatial configurations in complex 4 when compared to its counterparts. These findings underscore the pivotal influence of intramolecular interactions on the FeII spin states and highlight the significance of designing flexible ligands for modulating spin‐crossover characteristics. [ABSTRACT FROM AUTHOR]

Abstract: Interest in glutinous rice consumption has been expanding in East Asia. However, the extent of metabolite variation between common and glutinous rice has not been fully explored to identify metabolic targets for rice quality improvement. Thus, the objective of this study was to provide insights into the variation of metabolites and nutraceuticals between common and glutinous rice. Two black rice (common rice, BL-N, and glutinous rice, BL-G) and two white rice (common rice, WH-N, and glutinous rice, WH-G) types were analysed via LC-MS-based widely targeted metabolic profiling. We identified 441 and 343 types, including 160 key overlapping differentially accumulated metabolites between BL-N_vs_BL-G and WH-N_vs_WH-G, respectively. Glutinous rice showed a higher relative content of most categories of metabolites, except for quinones (in BL-N) and tannins (in WH-N). Seven vitamins, including B6, B3, B5, B13, isonicotinic acid, N-(beta-D-glucosyl)nicotinate, and 4-pyridoxic acid-O-glucoside, were significantly up-regulated in BL-G compared to BL-N. The biosynthesis of cofactors, zeatin biosynthesis, citrate cycle, amino acid metabolism, alpha-linolenic acid metabolism, and glyoxylate and dicarboxylate metabolism was the most differentially regulated pathway. Key differential metabolites in citrate cycle include citrate, isocitrate, fumarate, malate, succinate, and 2-oxoglutarate; in amino acid metabolism (L-serine, L-cysteine, L-lysine, L-glutamine, L-methionine, and L-tryptophan); and in glycolysis (UDP-glucose, D-glucose-1P, D-glucose-6P, and D-fructose-6P). The data resources in this study may contribute to a better understanding of the function and nutritional value of glutinous rice. [ABSTRACT FROM AUTHOR]

The present article describes the synthesis of an isonicotinate-derived meso-arylporphyrin, that has been fully characterized by spectroscopic methods (including fluorescence spectroscopy), as well as elemental analysis and HR-MS. The structure of an n-hexane monosolvate has been determined by single-crystal X-ray diffraction analysis. The radical scavenging activity of this new porphyrin against the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical has been measured. Its antifungal activity against three yeast strains (C. albicans ATCC 90028, C. glabrata ATCC 64677, and C. tropicalis ATCC 64677) has been tested using the disk diffusion and microdilution methods. Whereas the measured antioxidant activity was low, the porphyrin showed moderate but encouraging antifungal activity. Finally, a study of its effect on the germination of lentil seeds revealed interesting allelopathic properties. [ABSTRACT FROM AUTHOR]

Pigmented rice grains are important resources for health and nutritional perspectives. Thus, a thorough dissection of the variation of nutrients and bioactive metabolites in different colored rice is of global interest. This study applied LC–MS-based widely targeted metabolite profiling and unraveled the variability of metabolites and nutraceuticals in long grain/non-glutinous black (BR), red (RR), green (GR), and white rice (WR) grains. We identified and classified 1292 metabolites, including five flavonoid compounds specific to BR. The metabolite profiles of the four rice grains showed significant variation, with 275–543 differentially accumulated metabolites identified. Flavonoid (flavone, flavonol, and anthocyanin) and cofactor biosynthesis were the most differentially regulated pathways among the four rice types. Most bioactive flavonoids, anthocyanidins (glycosylated cyanidins and peonidins), phenolic acids, and lignans had the highest relative content in BR, followed by RR. Most alkaloids, amino acids and derivatives, lipids, and vitamins (B6, B3, B1, nicotinamide, and isonicotinic acid) had higher relative contents in GR than others. Procyanidins (B1, B2, and B3) had the highest relative content in RR. In addition, we identified 25 potential discriminatory biomarkers, including fagomine, which could be used to authenticate GR. Our results show that BR and RR are important materials for medicinal use, while GR is an excellent source of nutrients (amino acids and vitamins) and bioactive alkaloids. Moreover, they provide data resources for the science-based use of different colored rice varieties in diverse industries. [ABSTRACT FROM AUTHOR]

Two newly designed ligands, [4-chloro-2-((((2-pyridyl)ethyl)imino)methyl)phenol] (HL1) and [4-bromo-2-((((2-pyridyl)ethyl)imino)methyl)phenol] (HL2), have been chosen to synthesize two Cu(II) dimeric Schiff base complexes, [CuL1Cl]2 (1) and [CuL2Cl]2 (2), with the aim of studying their catalytic activity towards oxidation of alcohols by using H2O2 as a terminal oxidant and reduction of nitroarenes by using NaBH4 as a reducing agent. The complexes have been characterized using physicochemical techniques and single crystal X-ray diffraction. DFT calculations of both the complexes have also been performed. Complex [CuL1Cl]2 (1) exhibited a higher catalytic efficiency in each reaction and therefore it was selected for building a magnetically separable catalyst by attaching it to surface modified magnetic nanoparticles. Then, our goal was to modify further complex 1 with iron oxide and isonicotinic acid (ISNA), for easy magnetic separation. The new Fe3O4@ISNA@CuL1 catalyst underwent comprehensive characterization, including FT-IR, SEM, TEM, and PXRD analyses, confirming successful copper complex immobilization on the magnetic nanoparticles. These catalysts maintained stability in aqueous and organic media, enabling alcohol oxidation with H2O2 in acetonitrile and nitroarene reduction with sodium borohydride in an aqueous environment. The surface modification with magnetic nanoparticles facilitated easy separation using an external magnet. The novelty of this work lies in its straightforward preparation, minimal time consumption, reduced use of hazardous chemicals, and cost-effectiveness. The catalysts showed recyclability up to five times without significant loss of activity. Furthermore, our synthesized catalysts demonstrated non-toxicity and environmental friendliness. [ABSTRACT FROM AUTHOR]

Polyfuranic compounds produced after carbon up-gradation of 2-methylfuran by acid catalyzed C–C bond forming reactions when undergo hydro-deoxygenation produce diesel fuel. Herein, we prepared a simple and novel silica supported sulfonic acid functionalized isonicotinic acid SO3H-INA@SiO2 catalyst by treating isonicotinic acid with chlorosulphonic acid followed by heterogenization on silica. This heterogeneous solid acid catalyst was explored for the solvent free conversion of 2-methylfuran to diesel fuel precursors of C15 and C20 units via tandem ring opening followed by condensation sequence. Under optimized reaction conditions, SO3H-INA@SiO2 was able to convert, 2-methylfuran completely into condensation products such as 5,5-bis(5-methylfuran-2-yl)pentan-2-one (1) and 2,4,4-tris(5-methylfuran-2-yl)pentan-1-ol (2) with 19% and 67% yields, respectively. The heterogeneous SO3H-INA@SiO2 catalyst was successfully recycled up to six consecutive runs without loss of its activity. The SO3H-INA@SiO2 catalyst offered superior activity as compared to the commercially available -SO3H functionalized resins. Superior activity of the prepared catalyst could be attributed for its higher acidity, smaller particle size and high surface area. Structure of the prepared catalyst was confirmed by FTIR and solid state NMR. Total acidity of the prepared catalyst was determined by acid–base titration. [ABSTRACT FROM AUTHOR]

Pyridine motifs are widespread pharmacophores in many drugs. Installing various substituents through pyridine C−H bond functionalization is significant for new drug design and discovery. Developments of late‐stage functionalization reactions enrich the strategies for selective functionalization of pyridines. However, late‐stage C−H carboxylation of pyridines is a long‐standing challenge, especially selectively carboxylation with CO2 on pyridine motifs. Herein, we describe a practical method for C4−H carboxylation of pyridines via one‐pot C−H phosphination and copper‐catalyzed carboxylation of the resulted phosphonium salts with CO2. The reaction is conducted under mild conditions and compatible with multiple active groups and several pyridine drugs, providing diverse valuable isonicotinic acid compounds, demonstrating the application potential of this strategy. [ABSTRACT FROM AUTHOR]

Background: Plant defense against the pathogens can be induced by using different defense inducers. Plants can be treated with elicitors for fast and more intense mobilization of defense responses which can enhance the resistance against biotic or abiotic stresses. Methods: The present study has been undertaken to evaluate the synergistic effect of different plant defense inducing chemical (Salicylic acid, Isonicotinic acid, Oxalic acid and Chitosan) and biological (Trichoderma harzianum and Pseudomonas fluorescens) elicitors. Enzyme activity was expressed as the increase in absorbance using spectrophotometer. Result: Among all the treatments the maximum PAL activity (35.58 mg/g of fresh weight) was found in case of oxalic acid but after 48 hrs its activity reduced drastically. Next to oxalic acid Pseudomonas fluorescens (31.38 mg/g of fresh weight), chitosan + Trichoderma harzianum (29.38 mg/g of fresh weight) and chitosan + Pseudomonas fluorescens (27.89 mg/g of fresh weight) showed the maximum enzyme activity. The PPO activity reached the highest at 96 hr after challenge inoculation in case of chitosan + Trichoderma harzianum (9.74 µmol/min/mg/protein) treated plants followed by Trichoderma harzianum (3.53 µmol/min/mg/protein) alone. the maximum PO activity (49.12 µmol/min/mg/protein) was found in case of chitosan + Pseudomonas fluorescens treated plants followed by chitosan (42.48 µmol/min/mg/protein) after 72 hrs. the maximum phenolics (27.53 mg/gm of fresh weight) was found in case of chitosan + Pseudomonas fluorescens after 48 hrs of treatment. [ABSTRACT FROM AUTHOR]

Two {Cu2I2} cluster-bearing metal organic frameworks (MOFs) of {[Eu(CuI)2(INA)3DMF]·0.95DMF}n (Eu-CuI-INA) and {K[(CH3)2NH2]Sr4(INA)2(DMF)2{(Cu2I2)2(INA)8}·2H2O}n (Sr-K-CuI-INA, HINA = isonicotinic acid, DMF = N,N-dimethyl formamide) were prepared and characterized in this work. Both materials feature a three-dimensional (3-D) structure, in which the {Cu2I2} clusters and Eu3+ (or Sr2+) metal ions are coordinated by INA− ligands with pyridine and carboxylic groups, respectively. Impressively, Sr-K-CuI-INA exhibits sensitive fluorescence sensing behaviors towards cysteine and nitro-bearing molecules, demonstrating potential FL sensing applications for bio and explosive molecules. This work would provide a good reference for designing fluorescent MOF probes containing CuI molecules. [ABSTRACT FROM AUTHOR]

The solvothermal reactions of 2-S-HBim and Cd(NO3)2·4H2O in combination with H2ip, or 3-Hpyc or 4-Hpyc afforded three new coordination polymers, namely [Cd(ip)(2-S-HBim)2]n·n(H2O) (1), [Cd(3-pyc)2(2-S-HBim)]n·n(H2O) (2), and [Cd(4-pyc)(2-S-HBim)(Br)(H2O)]n (3) (2-S-HBim = 2-mercaptobenzimidazole, H2ip = isophthalic acid, 3-Hpyc = nicotinic acid, 4-Hpyc = isonicotinic acid). X-ray diffraction analyses revealed that compound 1 features a 1D infinite chain structure, which was further hydrogen-bonded into a 3D supramolecular framework. Compound 2 features a 2D layered structure with 4-connected sql plane topology, which further stacked into a 3D supramolecular framework. Compound 3 also shows a 1D infinite chain structure with dinuclear [Cd2(μ2-H2O)2] subunits, which was further connected into a 3D supramolecular via intermolecular hydrogen bonds. Furthermore, the thermal stabilities and photoluminescent properties of 1–3 have been investigated. [ABSTRACT FROM AUTHOR]

Background: Lysine demethylase enzymes (KDMs) are an emerging class of therapeutic targets, that catalyse the removal of methyl marks from histone lysine residues regulating chromatin structure and gene expression. KDM4A isoform plays an important role in the epigenetic dysregulation in various cancers and is linked to aggressive disease and poor clinical outcomes. Despite several efforts, the KDM4 family lacks successful specific molecular inhibitors. Results: Herein, starting from a structure-based fragments virtual screening campaign we developed a synergic framework as a guide to rationally design efficient KDM4A inhibitors. Commercial libraries were used to create a fragments collection and perform a virtual screening campaign combining docking and pharmacophore approaches. The most promising compounds were tested in-vitro by a Homogeneous Time-Resolved Fluorescence-based assay developed for identifying selective substrate-competitive inhibitors by means of inhibition of H3K9me3 peptide demethylation. 2-(methylcarbamoyl)isonicotinic acid was identified as a preliminary active fragment, displaying inhibition of KDM4A enzymatic activity. Its chemical exploration was deeply investigated by computational and experimental approaches which allowed a rational fragment growing process. The in-silico studies guided the development of derivatives designed as expansion of the primary fragment hit and provided further knowledge on the structure–activity relationship. Conclusions: Our study describes useful insights into key ligand-KDM4A protein interaction and provides structural features for the development of successful selective KDM4A inhibitors. [ABSTRACT FROM AUTHOR]

7-amino-5-(4-bromophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile was prepared by the reaction of 4-bromobenzaldehyde with barbituric acid and malononitrile in the presence of isonicotinic acid as a catalyst. The prepared pyranopyrimidine as an amine was reacted with salicylaldehyde and FeCl2.4H2O to afford nano-Fe (4-bromo phenyl-salicylaldimine pyranopyrimidinedione) Cl2 {Nano-[Fe-4BSP] Cl2} as a Schiff base complex in nano-size. Nano-[Fe-4BSP] Cl2 was characterized using various analyses such as Fourier transform infrared spectroscopy (FTIR), thermal gravimetric analysis (TGA), differential thermal gravimetric analysis (DTA), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX) and mass spectroscopy (MASS). The catalytic ability of Nano-[Fe-4BSP]Cl2 was successfully tested as an efficient catalyst for the preparation of some 2-amino-3-cyano pyridines derivatives. [ABSTRACT FROM AUTHOR]

2-Oxo-4-cyano-1,2-dihydropyridine-3-carboxamides were synthesized. Their antiproliferative activity was studied. They were shown to inhibit slightly the growth of cell lines of lung cancer (a more pronounced tendency for lines A549/ATCC, NCI-H522, and HOP-62); colon cancer (more pronounced for line HCC-2998); brain cancer (for line SNB-19), melanoma (for lines UACC-62, SK-MEL-2, and MALME-3M); kidney cancer (for lines A498 and UO-31); and breast cancer (for lines HS 578T and T-47D). [ABSTRACT FROM AUTHOR]

Epithelial‐to‐mesenchymal transition (EMT) is responsible for driving metastasis of multiple cancer types including lung cancer. Peroxisome proliferator‐activated receptor (PPAR)‐γ, a ligand‐activated transcription factor, controls expression of variety of genes involved in EMT. Although several synthetic compounds act as potent full agonists for PPAR‐γ, their long term application is restricted due to serious adverse effects. Therefore, partial agonists involving reduced and balanced PPAR‐γ activity are more effective and valued. A previous study discerned the efficacy of quercetin and its derivatives to attain favorable stabilization with PPAR‐γ. Here this work is extended by synthesizing five novel quercetin derivatives (QDs) namely thiosemicarbazone (QUETSC)) and hydrazones (quercetin isonicotinic acid hydrazone (QUEINH), quercetin nicotinic acid hydrazone (QUENH), quercetin 2‐furoic hydrazone (QUE2FH), and quercetin salicyl hydrazone (QUESH)) and their effects are analyzed in modulating EMT in lung cancer cell lines via PPAR‐γ partial activation. QDs‐treated A549 cells diminish cell proliferation strongly at nanomolar concentration compared to NCI‐H460 cells. Of the five screened derivatives, QUETSC, QUE2FH, and QUESH exhibit the property of partial activation as compared to the overexpressive level of rosiglitazone. Consistently, these QDs also suppress EMT process by markedly downregulating the levels of mesenchymal markers (Snail, Slug, and zinc finger E‐box binding homeobox 1) and concomitant upregulation of epithelial marker (E‐cadherin). [ABSTRACT FROM AUTHOR]

Two novel Cu-based MOFs through rationally tuning the secondary ligand had been prepared, which presented diverse architectures and different activation effect of H 2 O 2. The Cu-MOF-2 exhibited superior photo-Fenton-like activity for highly efficient degradation of CTC, TC and OTC in wide pH working range. [Display omitted] The efficient heterogeneous photo-Fenton-like catalysts based on two secondary ligand-induced Cu(II) metal–organic frameworks (Cu-MOF-1 and Cu-MOF-2) were constructed for the first time and investigated for the degradation of multiple antibiotics. Herein, two novel Cu-MOFs were prepared using mixed ligands by a facile hydrothermal method. The one-dimensional (1D) nanotube-like structure could be obtained by using V-shaped, long and rigid 4,4′-bis(3-pyridylformamide)diphenylether (3-padpe) ligand in Cu-MOF-1, while polynuclear Cu cluster could be prepared more easily by using short and small isonicotinic acid (HIA) ligand in Cu-MOF-2. Their photocatalytic performances were measured by degradation of multiple antibiotics in Fenton-like system. Comparatively, Cu-MOF-2 exhibited superior photo-Fenton-like performance under visible light irradiation. The outstanding catalytic performance of Cu-MOF-2 was ascribed to the tetranuclear Cu cluster configuration and excellent ability of photoinduced charge transfer and hole separation thus improved the photo-Fenton activity. In addition, Cu-MOF-2 showed high photo-Fenton activity in wide pH working range 3–10 and maintained wonderful stability after five cyclic experiments. The degradation intermediates and pathways were deeply studied. The main active species h+, O 2 − and OH worked together in photo-Fenton-like system and possible degradation mechanism was proposed. This study provided a new approach to design the Cu-based MOFs Fenton-like catalysts. [ABSTRACT FROM AUTHOR]

The reaction of nicotinic and isonicotinic acid hydrazides with o-formyl benzoic acid in ethanol led to the formation of the corresponding hydrazones. It was found that o-formyl benzoic acid reacted in aldehyde form with hydrazides to form hydrazones. When heated in acetic anhydride, the latter are smoothly cyclized into 3-acetoxyisoindolin-1-ones. Structure of the synthesized compounds was proved by 1H and 13C NMR spectroscopy data. Antiradical and antiviral activity of the synthesized hydrazones and 3-acetoxyisoindolin-1-ones was studied. A compound with a wide spectrum of virus-inhibiting action against strains of the A virus was identified. [ABSTRACT FROM AUTHOR]

Herein, we have scrutinized the influence of vitamin B3 (nicotinic acid) and its isomer isonicotinic acid at varying concentrations on the micellization properties of 1-tetradecyl-3-methylimidazolium bromide [C14mim] [Br] at a given temperature range of 298.15–308.15 K to further explore their advancement in medicinal chemistry. The behavior of ionic liquid at the surface was determined using tensiometry, while conductivity, steady-state fluorescence, and UV–visible spectroscopy were used to determine the behavior in bulk. Various thermodynamic, surface, and micellization parameters have been determined. The evaluated CMC values for the pure ionic liquid were found to increase with the increasing concentration of external additives (nicotinic acid and isonicotinic acid). Further, the negative ∆ G m i c 0 and ∆ H m i c 0 state the feasible and exothermic nature of the micellization process. The results attained employing different methods were correlated with each other and are found to be in good agreement. The results obtained from various studies indicate the presence of hydrophobic and electrostatic interactions occurring between the additives (nicotinic and isonicotinic acid) and the ionic liquid aggregates. [ABSTRACT FROM AUTHOR]

• New norfloxacin cocrystals synthesized by a mechanochemical method. • The apparent aqueous solubility in the cocrystals is higher compared to pure drug. • Establishment of scale-up conditions from solution crystallization. Cocrystals are recognized as one of the most efficient approaches to improve aqueous solubility of Biopharmaceutical Classification System, BCS, classes II and IV drugs. Cocrystal discovery and the establishment of experimental conditions suitable for scale-up purposes are some of the main challenges in cocrystal investigation. In this work, the investigation of mechanochemical synthesis of norfloxacin cocrystals with picolinic and isonicotinic acids is performed, leading to the discovery of two new cocrystals of this important BCS class IV antibiotic, which were characterized through thermal, spectral and diffractometric analysis. Norfloxacin apparent aqueous solubility using the cocrystals is also presented, with higher values being obtained for all the investigated systems when compared to the pure drug. Norfloxacin has 3 polymorphs and several solvents/hydrates, which represents a challenge for obtaining pure cocrystal forms from solvent crystallization. This challenge was successfully overcome in this work, as experimental conditions to obtain the pure cocrystals (the new ones and also norfloxacin-nicotinic acid and norfloxacin-saccharin) were established using Crystal16 equipment. This is a crucial step to envisage future scale-up procedures and therefore a valuable information for the pharmaceutical industry. [Display omitted] [ABSTRACT FROM AUTHOR]

A novel yttrium complex [Y(HIA)3(H2O)2]n·nYCl3 (HIA = isonicotinic acid) has been synthesized via a hydrothermal reaction and characterized by single crystal X-ray diffraction technique. The title complex features a one-dimensional (1-D) chain-like structure. A solid state photoluminescence measurement revealed that there is one strong emission peak at 487 nm. These peak can be assigned to the characteristic electronic transition and stacking effect inside the ligand. The title complex shows CIE (Commission Internationale de I' Éclairage) chromaticity coordinates in the blue region (0.1049, 0.1221). At the same time, the title complex has a wide band gap of 2.03 eV, which was revealed by a solid-state UV/Vis diffuse reflection experiment. [ABSTRACT FROM AUTHOR]

A novel neodymium-mercury material with a two-dimensional (2-D) layer-like structure, namely [Nd(HIA)2(H2O)2Hg2Cl5(IA)]nn(HgCl2)·5nH2O·nCl (marked as 1; HIA means isonicotinic acid), has been successfully synthesized through a solvothermal reaction. The crystal structure of compound 1 was determined by using the single-crystal X-ray diffraction method. The neodymium ion has eightfold coordination and shows a slightly distorted square anti-prism motif. The neodymium ions are interconnected via the isonicotinic acid ligands to form a one-dimensional (1-D) –Nd–(HIA)4–Nd–(HIA)2–Nd–(HIA)4–Nd–(HIA)2–Nd– chain. The 1-D chains are further interlinked by the Hg2+ ions from the (Hg2Cl5)− moieties to yield a 2-D layer. The Hg2+ ions have two- and fourfold coordination motifs. Compound 1 shows a photoluminescence emission in the red region which is resulted from the 4F9/2 → 4I9/2 transition of the neodymium ions, as revealed by the energy transfer mechanism investigation. The CIE (Commission Internationale de I'Éclairage) chromaticity coordinates of compound 1 are 0.6868 and 0.313. The CT (color temperature) is 38399 K. Compound 1 has a wide band gap of 2.62 eV, as found by the solid-state UV–Visible diffuse reflectance spectrum. A novel neodymium-mercury material with a two-dimensional layer-like structure has been successfully synthesized. The neodymium ion has eightfold coordination and shows a slightly distorted square anti-prism motif. The Hg2+ ions have two- and fourfold coordination motifs. It exhibits a photoluminescence emission in the red region which is resulted from the 4F9/2 → 4I9/2 transition. The CIE chromaticity coordinates are 0.6868 and 0.313. The CT is 38399 K. It has a wide band gap of 2.62 eV. [ABSTRACT FROM AUTHOR]

A three-dimensional (3-D) 3d-4f polyoxometalate (POM), [Gd2Cu(SiW12O40)(Hpca)4(pca)4(H2O)3]·(Hpca)2·H2O (1) (Hpca = isonicotinic acid, abbreviated as Cu-Gd-CP), was synthesized by hydrothermal method and characterized by XRD, TG, IR, and Ultraviolet–visible (UV–vis) spectra. The Gd3+ ions have two different coordination modes, which correspond to distinct kinds of dinuclear secondary building units, ([Gd12(Hpca)4(pca)4(H2O)2] and [Gd22(Hpca)4(pca)4(H2O)4]). Thus, there are two different types of pores (pore A and pore B) filled by free Hpca molecules in Cu-Gd-CP. The Hpac molecules in pore A are oriented perpendicular to each other in pore B. The electrochemical potential of Cu-Gd-CP is explored. [ABSTRACT FROM AUTHOR]

The isolation and structural characterization of a unique Cu(II) isonicotinate (ina) material with 4-acetylpyridine (4-acpy) is provided. The formation of [Cu(ina)2(4-acpy)]n (1) is triggered by the Cu(II) aerobic oxidation of 4-acpy using O2. This gradual formation of ina led to its restrained incorporation and hindered the full displacement of 4-acpy. As a result, 1 is the first example of a 2D layer assembled by an ina ligand capped by a monodentate pyridine ligand. The Cu(II)-mediated aerobic oxidation with O2 was previously demonstrated for aryl methyl ketones, but we extend the applicability of this methodology to heteroaromatic rings, which has not been tested so far. The formation of ina has been identified by 1H NMR, thus demonstrating the feasible but strained formation of ina from 4-acpy in the mild conditions from which 1 was obtained. [ABSTRACT FROM AUTHOR]

Biotransformation of isoniazid produced isonicotinic acid (1), isonicotinic acid N-oxide (2), and isonicotinamide (3) which were isolated by column chromatography using silica gel and Sephadex LH 20 and elucidated using various spectroscopies. This is the first report for isolation of 2. Antituberculosis activity was evaluated against Mycobacterium tuberculosis strains: drug sensitive (DS), multiple drug resistant (MDR) and extensively drug resistant (XDR). 1-3 and isoniazid showed MICs of 63.49, 0.22, 15.98 and 0.88 µM, respectively, against the DS strain. For the MDR strain, 2 and 3 exhibited MICs of 28.06 and > 1000 µM, respectively, while 1 was inactive. Moreover, 2 had an MIC of 56.19 µM against XDR strain, while 1 and 3 were inactive. Docking simulation using enoyl ACP reductase (InhA) revealed favorable protein-ligand interactions. In silico study of pharmacokinetics and hepatotoxicity predicted 1-3 to have good oral bioavailability and 2 to have a lower hepatoxicity probability than isoniazid. [ABSTRACT FROM AUTHOR]

Potentiometric measurements were used to determine the stability constants of cobalt(II) complexes with a series of pyridine mono and dicarboxylic acids. The following pyridinecarboxylic acids were used: pyridine-2-carboxylic acid (also known as picolinic acid (HPic, HL)), pyridine-3-carboxylic acid (also known as nicotinic acid (HNic, HL)), and pyridine-4-carboxylic acid, known as isonicotinic acid (HIso, HL), the 2-chloropyridine-3-carboxylic acid (HCl-Nic, HL), pyridine-2,6-dicarboxylic acid known as dipicolinic acid (H2Dipic, H2L), pyridine-2,4-dicarboxylic acid (H22,4-Dipic, H2L), pyridine-2,5-dicarboxylic acid (H22,5-Dipic, H2L) and pyridine-3,4-dicarboxylic acid (H23,4-Dipic, H2L). 1.0 mol·dm−3 NaNO3 was used as the ionic medium at 25 °C. Additionally, the hydrolytic cobalt(II) constants were determined under the same experimental conditions. A spectrophotometric study based on Job's plot and the molar ratio method was completed to validate the potentiometric measurements. [ABSTRACT FROM AUTHOR]

N 1s Resonant Inelastic X-ray Scattering (RIXS) was used to probe the molecular electronic structure of the ruthenium photosensitizer complex cis-bis(isothiocyanato) bis(2,2′-bipyridyl-4,4′-dicarboxylato) ruthenium(II), known as "N3." In order to interpret these data, crystalline powder samples of the bipyridine-dicarboxylic acid ligand ("bi-isonicotinic acid") and the single ring analog "isonicotinic acid" were studied separately using the same method. Clear evidence for intermolecular hydrogen bonding is observed for each of these crystalline powders, along with clear vibronic coupling features. For bi-isonicotinic acid, these results are compared to those of a physisorbed multilayer, where no hydrogen bonding is observed. The RIXS of the "N3" dye, again prepared as a bulk powder sample, is interpreted in terms of the orbital contributions of the bi-isonicotinic acid and thiocyanate ligands by considering the two different nitrogen species. This allows direct comparison with the isolated ligand molecules where we highlight the impact of the central Ru atom on the electronic structure of the ligand. Further interpretation is provided through complementary resonant photoemission spectroscopy and density functional theory calculations. This combination of techniques allows us to confirm the localization and relative coupling of the frontier orbitals and associated vibrational losses. [ABSTRACT FROM AUTHOR]

The preparation of thin films is often associated with the appearance of unknown polymorphs, as both the substrate and deposition method can heavily influence crystallization processes. Here, chemical vapor deposition is used to obtain thin films of a copper‐isonicotinate (Cu‐INA) metal–organic framework (MOF). Starting from copper‐based precursor layers (copper oxide and hydroxide), a solid‐vapor conversion with vaporized isonicotinic acid in either a dry or humidified atmosphere, yields a new Cu‐INA MOF polymorph. It is found that the crystalline order of the precursor layer has a strong impact on the texture of Cu‐INA thin films. Furthermore, a novel methodology is introduced to determine the structure of a previously unknown thin‐film phase of Cu‐INA. Although only a few diffraction peaks are found via synchrotron grazing incidence X‐ray diffraction (GIXRD), a triclinic unit cell can be determined, and Patterson functions can be calculated. The latter reveals the position of the copper atoms within the unit cell and the alignment of the INA linkers defining the coordination network structure. This work introduces how the combination of GIXRD data with Patterson functions can be used to identify the structure of an unknown thin‐film MOF polymorph. [ABSTRACT FROM AUTHOR]

The purpose of this work is the synthesis of new isonicotinic acid hydrazones, the study of their structure, reactivity and biological screening of some synthesized compounds. The reactions leading to new N-arylidene(alkylidene) hydrazones via the condensation of isonicotinic acid hydrazide with various derivatives of aromatic aldehydes were studied. The structure of the new functionally substituted isonicotinic acid hydrazones was established by FTIR, XH and 13C NMR, two-dimensional COSY ^H^H) NMR spectroscopy and HMQC (1H-13C). The antiradical activity of the synthesized derivatives was studied using diphenylpycrylhydrazide radical (DPPH) assay. It was shown that N-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide possesses antiradical activity (IC50 (DPPH) 103.0 M). The antiradical properties of compounds of phenolic nature are in agreement with the energies of homolytic O-H bond dissociation calculated with the use of density functional theory. [ABSTRACT FROM AUTHOR]

In this work, a copper iodine module bearing a coordination polymer (CP) with a formula of [(Cu2I2)2Ce2(INA)6(DMF)3]·DMF (1, HINA = isonicotinic acid, DMF = N,N'-dimethyl formamide) is presented. The title compound features a three dimensional (3D) structure, in which the {Cu2I2} cluster and {Cu2I2}n chain modules are coordinated by N atoms from a pyridine ring in INA− ligands, while the Ce3+ ions are bridged by the carboxylic groups of INA− ligands. More importantly, compound 1 exhibits an uncommon red fluorescence (FL) with a single emission band maximized at 650 nm belonging to near infrared (NIR) luminescence. The temperature dependent FL measurement was applied to investigate the FL mechanism. Remarkably, 1 could be used as a FL sensor to cysteine and the nitro-bearing explosive molecule of trinitropheno (TNP) with high sensitivity, demonstrating its potential FL sensing applications for biothiol and explosive molecules. [ABSTRACT FROM AUTHOR]

A one-pot synthesis of 3-carbamoyl-2-oxo-1,2-dihydropyridine-4-carboxylic acids has been developed via the reaction of 4-oxoalkane-1,1,2,2-tetracarbonitriles with water, followed by alkaline hydrolysis of the resulting mixture of 2-oxo-1,2-dihydropyridine-3,4-dicarbonitrile and 2-oxo-4-cyano-1,2-dihydropyri-dine-3-carboxamide. [ABSTRACT FROM AUTHOR]

The effect of isonicotinic acid (INA) in a chitosan (CS)/polyvinyl alcohol (PVA) blend on ripening-dependent changes of preserved green tomatoes (Solanum lycopersicum L.) was examined at room temperature. The results showed that CS/PVA/INA 0.5 mM and CS/PVA/INA 1.0 mM formulations retarded firmness loss and delayed the pigmentation parameters i.e., lycopene (LYP), total carotenes (TCs), and titratable acidity (TA). The CS/PVA/INA 0.5 mM and CS/PVA/INA 1.0 mM formulations were able to delay the increase in malondialdehyde (MDA) and total polyphenol (TP) contents. Furthermore, the peroxidase (POD), polyphenoloxidase (PPO), and phenylalanine ammonia-lyase (PAL) activities of tomatoes coated with CS/PVA/INA 0.5 mM and CS/PVA/INA 1.0 mM formulations were lower than those in other treatments. Meanwhile, the CS/PVA blend had the highest TP content, as well as the highest PPO and PAL activities, at the late stage of maturation. The UV analysis showed that the CS/PVA/INA blend film is a promising UV-protective food packaging material. The pure CS, PVA, and INA formulations, as well as the CS/PVA, CS/PVA/INA 0.5 mM, and CS/PVA/INA 1.0 mM formulations, were characterized by infrared (FTIR). The three polymer formulations showed strong antifungal activity against Alternaria alternata and Botrytis cinerea. [ABSTRACT FROM AUTHOR]

A novel responsive visible light Cr-based MOF, Cr-PTC-HIna, was synthesized using the solvothermal method. Cr-PTC-HIna peaks were observed at 2θ = 9.04°, 12.71°, 14.88°, 25,48°, 27.72°, 28.97°, and 43.60° with a crystal size of 21 nm. Band gap energy achieved from the Cr-PTC HIna was 2.05 eV. Scanning Electron Microscope (SEM) analysis obtained a 3D structural morphology of MOFs Cr-PTC-HIna with a cylindrical tube shape and a particle size of 251.45 nm. Cr-PTC-HIna gave the optimum methylene blue degradation at pH of 7 under 250 watts mercury lamp irradiation for 180 minutes with degradation capacity of 95.40 mg/g. Electron holes and hydroxyl radicals were found as the dominant species contributing to methylene blue degradation. Copyright © 2022 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

Bimetallic metal-organic framework materials have captivated considerable attention in photocatalysis because of their colossal properties like semiconducting, large surface area, and potent visible light harnessing ability. Self-aggregation and rapid recombination rates have greatly hindered their applications in photocatalysis. A novel reduced graphene oxide-incorporated bimetallic nickel copper metal-organic framework (NiCu@INA/rGO MOF) is fabricated using isonicotinic acid as an organic linker. A synergistic effect between the two metals increased the photocatalytic performance. Introducing reduced graphene oxide to nickel-copper MOF increased charge carrier retention transfer and enhanced the catalyst's water dispersibility. The efficiency of the photocatalyst for the removal of tetracycline (TCn) and a mixture of Rhodamine B (RhB) and Orange G (OrG) dyes was investigated under visible light. A degradation efficiency of up to 89 % for TCn and close to ∼97.8 % and 93.5 % degradation in the case of RhB and OrG dyes was observed. The studies on the photocatalytic degradation mechanism were explored by conducting radical scavenger experiments, Electron spin resonance (ESR) studies, and Mott-Schottky analysis. TCn and RhB degradation pathways were explored by mass spectral analysis of the intermediates during the photocatalytic degradation of TCn and RhB. This work provides new paradigms for the functional modification of MOF for designing efficient photocatalysis. [Display omitted] • Tailor-made NiCu@INA/rGO MOF system for the degradation of tetracycline and a mixture of dyes. • Synergism between Ni, Cu, INA, and rGO to give enhanced photocatalysis. • Scavenger, ESR, and Photocurrent response were used to unfold synergism. • Mass spectral interpretation for the clear identification of reaction intermediates and the mechanism. • Improved surface area, easy reaction system, and better reusability of catalyst make it robust. [ABSTRACT FROM AUTHOR]

[Display omitted] • Five robust In-MOFs have been successfully synthesized by reticular chemistry. • Using amino modification approach to regulate the channel environment. • Using ligand shortening approach to reduce cage size. • In-ATC-INA exhibits excellent one-step purification C 2 H 4 from ternary C 2 mixtures. • In-Fum-INA combines cost-effectiveness with high separation performance. One-step purification of C 2 H 4 from ternary C 2 H 6 /C 2 H 4 /C 2 H 2 mixtures by single adsorbent is of great industrial significance, but few adsorbents can achieve this purpose. Herein, four isoreticular In-MOFs, In-BDC-AINA , In-ATC-INA , In-Fum-INA , and In-Fum-AINA (H 2 BDC, H 2 ATC, H 2 Fum, HINA, and HAINA are 1,4-benzenedicarboxylic acid, 2-amino-terephthalic acid, fumaric acid, isonicotinic acid and 3-amino-isonicotinic acid, respectively), were designed and synthesized by the guidance of reticular chemistry, using the known In-BDC-INA as the platform, through amino modification and ligand shortening approaches. In-ATC-INA and In-BDC-AINA were aminations of H 2 BDC and HINA, respectively. In-Fum-INA is replacing H 2 BDC to shorter H 2 Fum. In-Fum-AINA is obtained by further amination of In-Fum-INA. Due to the molar ratio of isoniacic and dicarboxylic ligands in this series structure is 2/1, they exhibit different site numbers, site distributions, pore sizes and pore volumes after regulation. These frameworks without open metal sites provided the ability of C 2 H 6 /C 2 H 4 inversion adsorption. The amino modification and ligand shortening approaches successfully improved the selectivity of C 2 H 2 /C 2 H 4 , and the equimolar C 2 H 2 /C 2 H 4 selectivities of In-ATC-INA (1.82) and In-Fum-INA (2.81) were higher than that of In-BDC-INA (1.73) calculated by IAST method. The breakthrough results show that In-BDC-INA , In-ATC-INA and In-Fum-INA can achieve one-step separation of the ternary C 2 mixtures and the C 2 H 4 yields are 0.08, 0.13 and 0.09 mmol/g, respectively, demonstrating that the two approaches have successfully improved the gas separation performance. In addition, these materials possess exceptional thermal and chemical stability, the low-cost ligand used in In-Fum-INA synthesis further enhances its potential application for industrial gas separation. [ABSTRACT FROM AUTHOR]

• Two contained multinuclear Cu clusters POM-based inorganic-organic hybrid compounds are designed and prepared. • Cu-SiMo exhibits a unique sandwich type three-dimensional supramolecular framework structure through hydrogen bonding interactions between trinuclear Cu and SiMo 12 POMs. • Cu-SiMo exhibits an excellent capacitance of 992 F g–1 at 2 A g−1. • The Cu-SiMo electrode only experienced a capacitance loss of 2.31 % and columbic efficiency loss of 1 % after 1000 cycles at a high charge/discharge current density of 20 A g–1. Polyoxometalates (POMs) have used as advanced energy storage materials due to their unique structures, and highly stable redox stability. By adjusting the type of POMs, two Cu-based POMs compounds, formulated as {[Cu(H L) 2 (L) 2 (H 2 O) 2 ](H L) 2 (NaMo 8 O 26) 2 }·2H 2 O} (Cu-Mo 8), {[Cu(L) 2 (H 2 O) 2 (SiMo 12 O 40)][(Cu 3 (μ-OH)(L) 4 (H 2 O) 2 (SiMo 12 O 40)] 2 ·12H 2 O} (Cu-SiMo) ( L = 1-methyl-thiophene-pyridine) are synthesized and directly used as electrode materials for supercapacitors. Cu-Mo 8 contains a one-dimensional inorganic chain of Na-Mo 8 Na by using Na as the connecting point. For Cu-SiMo , the SiMo POMs are connected with Cu(II) and form a one-dimensional (1D) chain. And it exhibits a unique two-dimensional and three-dimensional supramolecular framework structure connected by hydrogen bonds between trinuclear Cu and SiMo 12 POMs. Benefiting from the 1D chain of mononuclear Cu and stable trinuclear coordinated Cu structure, and 3D supramolecular framework through the intermolecular hydrogen bond, Cu-SiMo exhibits the higher linear capacitance (992 F g–1 at 2 A g–1), stability (97.69 %) and columbic efficiency (99 %) after 1000 cycles, which is better than general of the reported POM-based electrodes materials. [ABSTRACT FROM AUTHOR]

The solvothermal reactions of CoCl2 ⋅ 6H2O, 3,5‐pyridinedicarboxylic acid (H2L) and isonicotinic acid (HL1)/3‐amino isonicotinic acid (HL2)/3‐chloro isonicotinic acid (HL3) successfully led to three tfz‐d topological pillar‐layer [Co4(μ‐F)2(COO)6(NC5H4)4] cluster‐based MOFs, namely, [Co4(μ‐F)2(L)2(L1)2 ⋅ 2DMA] ⋅ DMA ⋅ 2H2O (SNNU‐Bai76, SNNU‐Bai=Shaanxi Normal University Bai's group), [Co4(μ‐F)2(L)2(L2)2 ⋅ 2H2O] ⋅ 2DMA ⋅ 2H2O (SNNU‐Bai77) and [Co4(μ‐F)2(L)2(L3)2 ⋅ 2H2O] ⋅ 2DMF ⋅ 2H2O (SNNU‐Bai78). With the 2D pore channels in SNNU‐Bai76 and SNNU‐Bai77 being tuned to the 1D pore channel in SNNU‐Bai78, C3H8 and C2H6 adsorption uptakes are apparently improved and the IAST selectivities of C3H8/CH4 and C2H6/CH4 almost remain, which indicate that SNNU‐Bai78 may be one potential separation material for the pipeline natural gas purification. These were further confirmed by the breakthrough experiments for the simulated pipeline natural gas (C3H8/C2H6/CH4 : 5/10/85 gas mixture) of three isostructural MOFs. Furthermore, GCMC simulations revealed that due to one of the pore channels blocked by Cl atoms in a couple of 3‐chloro isonicotinic acid with the changed conformation as the pillar, the pore wall of the formed 1D pore channel in SNNU‐Bai78 may interact with the adsorbed C3H8 or C2H6 molecule more strongly, for which more atoms of framework at the new adsorption site will interact with the adsorbed gas molecule by more intermolecular interactions. This was also evidenced by the increased binding energies, being consistent with the tuning of adsorption enthalpies for C3H8 and C2H6 gas molecules, and the reduced C3H8 and C2H6 gas diffusion coefficients in SNNU‐Bai78. Very interestingly, this work is the first example of finely tuning the pore connectivity of MOFs toward strengthened host–guest interactions for the gas adsorption and separation. [ABSTRACT FROM AUTHOR]

This report presents ruthenium (II) complexes featuring bis‐imidazole‐2‐ylidene donors and carboxylic acid‐functionalized terpyridine ligands (tpy−COOH or tpy4′−phenyl−COOH). We introduced the monodentate −NCS or pyridine carboxylate ligands into the coordination sphere to render sizeable changes in photo‐functional attributes. The coordination of the thiocyanate ligands to these ruthenium centers extends their absorption tails up to 800 nm. In contrast, the absorption bands of complexes featuring isonicotinic acid last only until 600 nm. Even though phenyl spacers at the acceptor end rendered a bathochromic shift in the λmax, in their absence, complexes exhibited a longer electron lifetime at the TiO2 photoanode. The complexes devoid of phenyl spacers show lower charge transfer resistance at the TiO2/electrolyte interface giving improved photon conversion efficiency (PCE) in Dye‐Sensitized Solar Cells (DSSCs). Herein, we analyze the relationship between the structure and the light‐harvesting efficiency via a combined experimental and computational approach. [ABSTRACT FROM AUTHOR]

Isoniazid and its metabolites are potentially associated with hepatotoxicity and treatment outcomes in patients who receive antituberculosis (TB) therapy. To further understand the pharmacokinetic profiles of these molecules, a method based on LC-MS/MS was developed to determine the concentration of these compounds in human plasma. Isoniazid, acetylisoniazid, and isonicotinic acid were directly analyzed, whereas hydrazine and acetylhydrazine were determined after derivatization using p-tolualdehyde. Chromatographic separation was conducted on reversed-phase C18 columns with gradient elution, and detection was carried out in multiple reaction monitoring mode. The calibration curves were linear with correlation coefficients (r) greater than 0.9947 for all analytes. The intra- and inter-day precision was less than 13.43%, and the accuracy ranged between 91.63 and 114.00%. The recovery and matrix effect of the analytes were also consistent (coefficient of variation was less than 9.36%). The developed method successfully quantified isoniazid and its metabolites in TB patients. The method has broad applications in clinical research, including isoniazid one-point-based therapeutic drug monitoring, genotype–phenotype association studies of isoniazid metabolic profile and isoniazid-induced hepatotoxicity, and the initial dose prediction of isoniazid using population pharmacokinetic modeling. [ABSTRACT FROM AUTHOR]

2‐Amino‐6,8‐dibromo‐7‐hydroxychromone‐3‐carboxamide (2) was synthesized and utilized as synthetic intermediate for the synthesis of novel heteroannulated chromones namely chromeno[2,3‐d]pyrimidines and chromeno[2,3‐d][1,3]thiazolo [3,2‐a]pyrimidines. Condensation of carboxamide 2 with formic acid, acetyl chloride, benzoyl chloride, isonicotinic acid, diethyl carbonate, and carbon disulfide furnished the novel chromeno[2,3‐d]pyrimidine derivatives, respectively. Reaction of 7,9‐dibromo‐8‐hydroxy‐2‐thioxo‐2H‐chromeno[2,3‐d]pyrimidine‐4,5(1H,3H)‐dione (8) with some bielectrophilic reagents afforded the first known chromeno[2,3‐d] [1, 3] thiazolo[3,2‐a]pyrimidines, respectively. Spectral and analytical data confirmed the structures of the new synthesized products. [ABSTRACT FROM AUTHOR]

A new thermostable Co(II)-based compound, namely [Co3(L)2(HTEA)2]n (1, HL = isonicotinic acid, H3TEA = triethanolamine), has been successfully synthesized by the isomicotinic acid ligand and HTEA anion. The photocatalytic property of 1 was also investigated, indicating that it shows excellent photocatalytic activity for the degradation of Rhodamine B (MB) solution under the UV light irradiation. For the treatment of trigeminal neuralgia, the content of the inflammatory cytokines released into the trigeminal ganglion tissue fluid was measured with enzyme-linked immunosorbent assay (ELISA) assay. Then, the real-time Reverse Transcription-Polymerase Chain Reaction (RT-PCR) was conducted and the activation of the nuclear factor kappa-B (NF-κB) inflammatory signaling pathway was measured. [ABSTRACT FROM AUTHOR]

A series of co-crystals of ascorbic acid were prepared with equimolar amounts of co-crystal formers (CCFs), including isonicotinic acid, nicotinic acid, 3,4-dihydroxybenzoic acid, 2,5-dihydroxybenzoic acid and m-hydroxybenzoic acid, by slow solvent evaporation and solvent-assisted grinding. The co-crystals were characterized by single-crystal X-ray diffraction spectroscopy, powder X-ray diffraction, IR spectroscopy, differential scanning calorimetry and thermogravimetric analysis. Molecular dynamics (MD) simulations further validated the interaction energy and the possible intermolecular hydrogen bonds among VC and CCFs. The co-crystals showed improved stability when exposed to different wavelengths of light, pH and temperatures compared to the free analogue, especially at higher pH (~9) and lower temperature (~4 °C). [ABSTRACT FROM AUTHOR]

Based on six representatives of 2-oxonicotinonitriles, the effect of the nature of the substituent in the fourth position of the pyridine system on the photophysical characteristics was studied. The role of the donor/acceptor nature of the substituent and the solvent nature in the absorbing and fluorescent properties of the compounds was shown. [ABSTRACT FROM AUTHOR]