Crystal structure, spectroscopy, DFT, and thermal studies of 3-cyano-2(1)-pyridones as potential anticancer agents.

A series of 3-cyano-2(1)-pyridones 4a-c were efficiently synthesized using an expeditious microwave-assisted multicomponent approach. Single-crystal XRD analysis revealed the presence of six independent molecules in the asymmetric unit cell for all compounds, with the crystal packing stabilized by a network of cyclic dimers formed by N-H⋯O[double bond, length as m-dash]C and C-H⋯O[double bond, length as m-dash]C intermolecular interactions. Additional supramolecular interactions, including C-H⋯π, C-N⋯π, and π⋯π, and C-H⋯X (for halogenated derivatives, , 4b and 4c), appear crucial for crystal stabilization.

CsCO-Promoted Alkylation of 3-Cyano-2(1H)-Pyridones: Anticancer Evaluation and Molecular Docking.

Herein, a CsCO-promoted N-alkylation of 3-cyano-2(1H)-pyridones containing alkyl groups with diverse alkyl halides to synthesize N-alkyl-2-pyridones over O-alkylpyridines is reported. The use of alkyl dihalides resulted in complex mixtures of N- and O-alkylated products. The primary factor influencing regioselectivity in these reactions is the electronic effects of substituents on the 2(1H)-pyridone ring, as evidenced by the preferential formation of O-alkylpyridines upon the introduction of aryl groups.

Biochar-MgO from Soursop Seeds in the Production of Biofuel Additive Intermediates.

The conversion of residual biomass from fruit seeds into biochar can be achieved using MgCl as an activating agent and calcining at 700 °C. The resulting MgO-biochars were employed in the aldol condensation reaction between furfural and acetone. This reaction is essential as the first step in the obtention of biofuels derived from biomass.

Efficient NiO/F-TiO nanocomposites for 4-chlorophenol photodegradation.

This work aimed to study NiO/F-TiO composites in the photocatalytic degradation of 4-chlorophenol. F-TiO support was prepared by in-situ fluorination of TiO using the sol-gel method. The heterostructured materials were prepared by wet impregnation method, varying NiO content (0.

Bioactive 2-pyridone-containing heterocycle syntheses using multicomponent reactions.

2-Pyridone-containing heterocycles are considered privileged scaffolds in drug discovery due to their behavior as hydrogen bond donors and/or acceptors and nonpeptidic mimics, and remarkable physicochemical properties such as metabolic stability, solubility in water, and lipophilicity. This review provides a comprehensive overview of multicomponent reactions (MCRs) for the synthesis of 2-pyridone-containing heterocycles. In particular, it covers the articles published from 1999 to date related to anticancer, antibacterial, antifungal, anti-inflammatory, α-glucosidase inhibitor, and cardiotonic activities of 2-pyridone-containing heterocycles obtained exclusively by an MCR.

Development of an insect cell-based adeno-associated virus packaging cell line employing advanced gene expression control system.

The insect cell-based baculovirus expression vector (BEV) system is a leading platform for scalable production of adeno-associated viruses (AAVs). The previously described One-Bac system consists of an insect packaging cell line harboring the AAV and genes and a BEV carrying the transgene and AAV inverted terminal repeats. Here we describe a new system where we successfully translated the molecular design of a double AAV expression cassette to inducible plasmid vectors.

Caffeine photocatalytic degradation using composites of NiO/TiO-F and CuO/TiO-F under UV irradiation.

The interest in the removal of emerging contaminants has increased in the last decade. Photocatalytic degradation using p-n heterojunctions could effectively provide the degradation of these type of substances that are persistent in the environment. In this work, the synthesis, characterization, and photocatalytic evaluation of TiO-F as well as CuO/TiO-F and NiO/TiO-F composite materials were studied in the photo-assisted degradation of caffeine using UV radiation.

Whey as an Alternative Nutrient Medium for Growth of and Its Effect on CaCO Polymorphism and Fly Ash Bioconsolidation.

Whey in large quantities can cause environmental problems when discarded, because it reduces dissolved oxygen and aquatic life. Nonetheless, it could be used as an easily available and economical alternative to reduce culture medium costs in microbially induced calcium carbonate precipitation (MICP). In this work, a native was isolated and then cultured by using different proportions of whey (W) in nutrient broth (NB).

A Radiometric Technique for Monitoring the Desulfurization Process of Blister Copper.

In this paper, a novel optical technique for following the progress of the blister copper desulfurization process is presented. The technique is based on the changes observed in the continuous spectrum of the visible-near-infrared (VIS-NIR) radiation that the blister melt emits while the chemical reactions of the sulfur elimination process are taking place. Specifically, the proposed technique uses an optical probe composed of an optical fiber, a collimating lens, and a quartz tube, which is immersed in the melt.

Biogeographical factors determining Triatoma recurva distribution in Chihuahua, México, 2014.

Introduction: Triatoma recurva is a Trypanosoma cruzi vector whose distribution and biological development are determined by factors that may influence the transmission of trypanosomiasis to humans.

Objective: To identify the potential spatial distribution of Triatoma recurve, as well as social factors determining its presence.

Materials And Methods: We used the MaxEnt software to construct ecological niche models while bioclimatic variables (WorldClim) were derived from the monthly values of temperature and precipitation to generate biologically significant variables.

Effect of Metal Content on Ethanol Decomposition over Ni-Co Catalysts Supported on La-Ce Oxides.

The search for catalysts with features that can improve coke resistance and decrease byproduct formation is a current goal in H production from renewable sources. In this work, the effect of the presence of Ni nanoparticles over Co/La-Ce oxides on the ethanol decomposition reaction was studied. Catalysts were synthetized using as precursor a LaCeNiCoO perovskite-type material to ensure a low segregation of phases and a high dispersion of metals.

Synthesis of Biologically Active Molecules through Multicomponent Reactions.

Focusing on the literature progress since 2002, the present review explores the highly significant role that multicomponent reactions (MCRs) have played as a very important tool for expedite synthesis of a vast number of organic molecules, but also, highlights the fact that many of such molecules are biologically active or at least have been submitted to any biological screen. The selected papers covered in this review must meet two mandatory requirements: (1) the reported products should be obtained via a multicomponent reaction; (2) the reported products should be biologically actives or at least tested for any biological property. Given the diversity of synthetic approaches utilized in MCRs, the highly diverse nature of the biological activities evaluated for the synthesized compounds, and considering their huge structural variability, much of the reported data are organized into concise schemes and tables to facilitate comparison, and to underscore the key points of this review.

HLA-G Ins/Del polymorphism and +3142C/G SNP are not related to neuromyelitis optica spectrum disorder (NMOSD) development, disability status or anti-aquaporin 4 presence in Brazilian patients.

We analyzed the association of polymorphisms from the 3' untranslated region of the HLA-G gene in 70 neuromyelitis optica spectrum disorder (NMOSD) patients and 162 healthy controls. No associations were found between the polymorphisms in NMOSD when compared to healthy controls, serology of the anti-AQP4 NMOSD biomarker and Expanded Disability Status Scale (EDSS). In conclusion, the 3' untranslated region 14 bp Ins/Del and +3142C/G polymorphisms seem not to be associated with NMOSD susceptibility, autoantibody production, nor a neurological deficit in patients.

Powder and Nanotubes Titania Modified by Dye Sensitization as Photocatalysts for the Organic Pollutants Elimination.

In this study, titanium dioxide powder obtained by the sol-gel method and TiO₂ nanotubes, were prepared. In order to increase the TiO₂ photoactivity, the powders and nanotubes obtained were modified by dye sensitization treatment during the oxide synthesis. The sensitizers applied were Quinizarin (Q) and Zinc protoporphyrin (P).

Levels of MMP-9 in patients with intracranial aneurysm: Relation with risk factors, size and clinical presentation.

Background: Intracranial aneurysms are arterial anomalies affecting 2% to 3% of the general population in the world and these ruptures are associated with a high mortality. Some risk factors, such as age, gender, smoking, alcohol, hypertension and familial history are associated with the number of aneurysms and their size. In addition, inflammatory processes within the blood vessels of the brain can activate matrix metalloproteinase-9 (MMP-9), which degrades various components of the extracellular matrix, such as elastin.

Prospective validation of the ultrasound based TIRADS (Thyroid Imaging Reporting And Data System) classification: results in surgically resected thyroid nodules.

Objective: To assess performance of TIRADS classification on a prospective surgical cohort, demonstrating its clinical usefulness.

Methods: Between June 2009 and October 2012, patients assessed with pre-operative ultrasound (US) were included in this IRB-approved study. Nodules were categorised according to our previously described TIRADS classification.

Quantitative Metabolomics and Instationary 13C-Metabolic Flux Analysis Reveals Impact of Recombinant Protein Production on Trehalose and Energy Metabolism in Pichia pastoris.

Pichia pastoris has been recognized as an effective host for recombinant protein production. In this work, we combine metabolomics and instationary 13C metabolic flux analysis (INST 13C-MFA) using GC-MS and LC-MS/MS to evaluate the potential impact of the production of a Rhizopus oryzae lipase (Rol) on P. pastoris central carbon metabolism.

Matrix metalloproteinase-2 and metalloproteinase-9 activities are associated with blood-brain barrier dysfunction in an animal model of severe sepsis.

There is no description on the mechanisms associated with blood-brain barrier (BBB) disruption during sepsis development. Thus, we here determined changes in permeability of the BBB in an animal model of severe sepsis and the role of matrix metalloproteinase (MMP)-2 and MMP-9 in the dysfunction of the BBB. Sepsis was induced in Wistar rats by cecal ligation and perforation.

Sodium butyrate decreases the activation of NF-κB reducing inflammation and oxidative damage in the kidney of rats subjected to contrast-induced nephropathy.

Background: Contrast-induced nephropathy (CIN) is associated with a combination of hypoxic and toxic renal tubular damage, renal endothelial dysfunction and altered intra-renal microcirculation. Recently, sodium butyrate (SB) has been focused on since it possesses anti-inflammatory activities. Thus, based on the lack of information on the effects of SB in acute kidney injury (AKI), we investigated the possible effects of SB after CIN in rats.

Mechanisms of dysfunction of the blood-brain barrier in critically ill patients: emphasis on the role of matrix metalloproteinases.

This paper aims to describe the physiological basis of the blood-brain barrier components and its properties. Additionally, the particular effects of metalloproteinases and their control over the extracellular matrix and its relationship with blood-brain barrier dysfunction are discussed. Finally, the role of metalloproteinases on changes in the central nervous system in critically ill patients is discussed.

Skeletal muscle electron transport chain dysfunction after sepsis in rats.

Background: The derangement in oxygen utilization occurring during sepsis is likely to be linked to impaired mitochondrial functioning. Skeletal muscle comprises 50%-60% of body cell mass and represents the largest organ potentially affected by systemic inflammation. Thus, we investigated whether sepsis induced by cecal ligation and puncture (CLP) modifies mitochondrial activity in respiratory and nonrespiratory skeletal muscle.

Protective effect of melatonin upon neuropathology, striatal function, and memory ability after intracerebral hemorrhage in rats.

Since free radicals play a role in the mechanisms of brain injury after hemorrhagic stroke, the effect of melatonin (a potent antioxidant and free-radical scavenger) on outcomes was investigated after intracerebral hemorrhage (ICH) in rats. ICH was induced by clostridial collagenase infusion into the right caudate putamen, and several time points and doses of melatonin were studied. Brain edema and neurological function at 24 h were unchanged in comparison with vehicle-treated groups, in spite of oxidative stress reductions.

Assessing functional outcomes following intracerebral hemorrhage in rats.

Translational neuroprotective and drug development studies need to be gauged against well-characterized functional outcomes, including motor, sensory and cognitive domains. Since intracerebral hemorrhage (ICH) causes dramatic neurological and cognitive deficits in humans, we hypothesized that ICH would result in prolonged motor-sensory and learning/memory deficits in rats. Neurological tests of sensorimotor functions were performed before ICH, 1-3 days and 10 weeks after ICH.

Reduced brain injury in CD18-deficient mice after experimental intracerebral hemorrhage.

Many studies have indicated leukocytes are a major contributor to brain injuries caused by intracerebral hemorrhage (ICH). Leukocyte-expressed CD18 is important for neutrophil-endothelial interactions in the vasculature, and CD18 deficiency protects against ischemia-reperfusion injury. We investigated whether CD18 deficiency provides protection against ICH-induced brain injury.