Equations for the Correlation and Prediction of Partition Coefcients of Neutral Molecules and Ionic Species in the Water-Isopropanol Solvent System

We use literature data on solubilities of 46 compounds in the water-isopropanol (IPA) system to obtain the corresponding partition coefficients, P, for transfer from water to water- IPA mixtures. We have then used our previously constructed linear free energy equation to obtain equations that correlate log10 P at water-IPA intervals across the entire water-IPA system. These equations can then be used to predict partition coefficients and solubilities of further compounds in the water-IPA systems at 298 K. The coefficients in our linear free energy equation encode information on the physicochemical properties of the water- IPA mixtures. We show that the hydrogen bond basicity of the water-IPA mixtures only increases slightly from water to IPA, but that the hydrogen bond acidity of the mixtures decreases markedly from water to IPA in a smooth continuous manner. We have also used data on ions and on ionic species to set out equations for the estimation of their partition coefficients from water to water-IPA mixtures. We find that for partition from water to IPA itself, log10 P = − 1.81 for H+

Vimentin filament organization and stress sensing depend on its single cysteine residue and zinc binding

17 pág., 10 figs.The vimentin filament network plays a key role in cell architecture and signalling, as well as in epithelial–mesenchymal transition. Vimentin C328 is targeted by various oxidative modifications, but its role in vimentin organization is not known. Here we show that C328 is essential for vimentin network reorganization in response to oxidants and electrophiles, and is required for optimal vimentin performance in network expansion, lysosomal distribution and aggresome formation. C328 may fulfil these roles through interaction with zinc. In vitro, micromolar zinc protects vimentin from iodoacetamide modification and elicits vimentin polymerization into optically detectable structures; in cells, zinc closely associates with vimentin and its depletion causes reversible filament disassembly. Finally, zinc transportdeficient human fibroblasts show increased vimentin solubility and susceptibility to disruption, which are restored by zinc supplementation. These results unveil a critical role of C328 in vimentin organization and open new perspectives for the regulation of intermediate filaments by zinc. DOI: 10.1038/ncomms8287 OPEN 1This work was supported by grants SAF2012–36519, MINECO, Spain and RD12/0013/0008, ISCIII to D.P.-S., and CTQ2012–32025, MINECO, y CAM MHIT S2010/BMD-2353 to F.J.C. C.L.O. and B.G. have been recipients of fellowships BES-2010–033718 and BES-2007–15806, respectively (FPI, MINECO). We acknowledge support from COST Action CM1001.Peer reviewe

Neurogenic inducers based on the chromone scaffold, a new family of multitarget directed ligands for Alzheimer's disease

Resumen del trabajo presentado a la XXXVIII Reunión Anual del Grupo Español de Neurotransmisión y Neuroprotección (GENN), celebrada en Almagro (Ciudad Real) del 13 al 15 de diciembre de 2017.The highly complex pathophysiology of Alzheimer's disease (AD) and other neurodegenerative illnesses have led to replace the traditional one-drug - one-target by the multi-target-directed ligands (MTDLs) paradigm, in which a single molecule is designed to be active against several pharmacological targets. Continuing with our interest in neuroprotective and neurogenic compounds, in this work we describe a new family of donepezil flavonoid hybrids exhibiting nanomolar affinities for the sigma-1 receptor and a combined inhibition of key enzymes in AD, such as 5-lipoxygenase, acetylcholinesterase, and monoaminoxidases. In general, they scavenge free radical species and are predicted to be brain-permeable. In phenotypic assays, new hybrids protect neuronal cells against mitochondrial oxidative stress and promote maturation of neural stem cells into a neuronal phenotype. Therefore, new donepezil - flavonoid hybrids could contribute to the protection and even, the reparation of neuronal tissues, of great therapeutic interest in AD and neurodegenerative diseases.Spanish Ministry of Economy and Competitiveness MINECO (grant SAF2015-64948-C2-1-R) and Spanish National Research Council CSIC (grant PIE-201580E109).Peer Reviewe

Combined use of phosphonium-erythrosin B-based nanoGUMBOS, UV–Vis spectroscopy, and chemometrics for discrimination and quantification of proteins

Nanoparticles derived from a group of uniform materials based on organic salts (nanoGUMBOS) are considered promising candidates for protein analysis due to their facile synthesis in aqueous media and high tunability. In this study, a phosphonium-erythrosin B-based nanoGUMBOS (i.e., [P4444]2[EB]) was prepared using an ultrasound-assisted reprecipitation method, and its ability to discriminate and quantify proteins was evaluated. Sonication time (30 s, 5 min, and 15 min) and cyclodextrin templating (α-, 2-HP-β-, and γ-CD) were investigated for their effects on discrimination performance of synthesized nanomaterial. Six proteins (albumin, hemoglobin, trypsin, catalase, lysozyme, and cytochrome c) with different abundance levels and physicochemical properties were selected as target analytes. Absorbance response patterns generated from interactions between [P4444]2[EB] nanoGUMBOS and proteins were analyzed using partial least squares discriminant analysis. Percentages of correct protein discrimination ranged from 94.6 to 99.6%, with the latter being the best result obtained using non-templated nanoGUMBOS formed after 5 min sonication. Under optimized conditions, it was possible to discriminate all protein samples with percentages of correct assignments greater than 90% for concentrations as low as 2.0 μg mL−1. The discrimination capability of synthesized nanoGUMBOS was further evaluated using mixtures of different ratios of lysozyme, cytochrome c, and hemoglobin. Finally, partial least squares models were developed for protein quantification and the best performance was observed for albumin. Results support potential use of [P4444]2[EB] nanoGUMBOS in combination with ultraviolet–visible spectroscopy and chemometrics for qualitative and quantitative analyses of individual proteins and mixtures of proteins.info:eu-repo/semantics/publishedVersio

Eficiencia de tratamiento fungicida en semillas de garbanzo frente a A. rabiei

El garbanzo es la tercera leguminosa de grano seco más importante del mundo. La provincia de Córdoba aporta alrededor del 50% a las exportaciones, alcanzando 122.000 toneladas en 2018/2019. La 'rabia', causada por Ascochytarabiei, es la enfermedad más destructiva del cultivo. Actualmente es endémica en la región productora de Córdoba. Afecta todos los tejidos aéreos de la planta y se inicia principalmente por la introducción de semillas infectadas al lote. Un manejo efectivo requiere combinar estrategias genéticas, culturales y químicas. Debido a que se transmite por semilla y dispersa rápidamente en condiciones favorables, el análisis sanitario a las semillas es fundamental. Los tratamientos fungicidas en semillas para control de enfermedades en garbanzo, requieren aún de la comprobación de eficiencia frente rabia. El objetivo fue evaluar la eficiencia de un tratamiento fungicida en semillas portadoras de A. rabiei empleandoAgarplatetestInstituto de Patología VegetalFil: Pastor, Silvina Estela. Instituto Nacional de Tecnología Agropecuaria (INTA). Instituto de Patología Vegetal; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Unidad de Fitopatología y Modelización Agrícola (UFYMA); Argentina.Fil: Pérez, A. Universidad Nacional de Córdoba. Facultad de Ciencias Agropecuarias; ArgentinaFil: Bustamante, Macarena. Fundación ArgenINTA. Delegación IFFIVE. Córdoba; ArgentinaFil: Pugliese, Bruno Daniel. Instituto Nacional de Tecnología Agropecuaria (INTA). Instituto de Patología Vegetal; Argentina.Fil: Crociara, Clara Sonia. Consejo Nacional de Investigaciones Científicas y Técnicas. Unidad de Fitopatología y Modelización Agrícola (UFYMA); ArgentinaFil: Spring, E. Universidad Nacional de Córdoba. Facultad de Ciencias Agropecuarias; ArgentinaFil: Valetti, Lucio. Instituto Nacional de Tecnología Agropecuaria (INTA). Instituto de Patología Vegetal; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Unidad de Fitopatología y Modelización Agrícola (UFYMA); Argentina

Recensiones [Revista de Historia Económica Año VII Invierno 1989 n. 1 pp. 219-253]

Linda Newson. The Cost Of Conquest. Indian decline in Honduras under the Spanish rule e Indian survival in colonial Nicaragua (Por Pedro Pérez Herrero).-- Pedro Rodríguez Campomanes. Reflexiones sobre el comercio español a Indias. (Por Luis Perdices Blas).-- Josep Fontana y otros. El comercio libre entre España y América Latina, 1765- 1824 (Por Andrés José Moreno Mengíbar).-- David-Sven Reher. Familia, población y sociedad en la provincia de Cuenca, 1700- 1970 (Por Concepción De Castro).-- Harvey J. Graff. The labyrinths of literacy. Reflections on literacy past and present (Por Clara E. Núñez).-- Bernard Elbaum y William Lazonick (Eds.) The decline of the Brittish Economy (Por Antonio F. Cubel Montesinos).-- Antonio Gómez Mendoza. Ferrocarril y mercado interior, Vol. 1: cereales, harinas y vinos, y Vol. 2: Manufacturas textiles, materias textiles, minerales, combustibles y metales (Por James Simpson).-- Carmen Sanchís Deusa. El transporte en el País Valenciano. Carreteras y ferrocarriles (Por Javier Vidal Olivares).-- José Manuel Naredo. La economía en evolución. Historia y perspectivas de las categorías básicas del pensamiento Eeconómico (Por Manuel Santos Redondo).-- Roger Backhouse. Historia del análisis económico moderno (Por Fernando Méndez Ibisate).-- William N. Parker (Ed.). Economic History and the modern economist (Por Gabriel Tortella)Publicad

White matter cortico-striatal tracts predict apathy subtypes in Huntington's disease

BACKGROUND: Apathy is the neuropsychiatric syndrome that correlates most highly with Huntington's disease progression, and, like early patterns of neurodegeneration, is associated with lesions to cortico-striatal connections. However, due to its multidimensional nature and elusive etiology, treatment options are limited. OBJECTIVES: To disentangle underlying white matter microstructural correlates across the apathy spectrum in Huntington's disease. METHODS: Forty-six Huntington's disease individuals (premanifest (N = 22) and manifest (N = 24)) and 35 healthy controls were scanned at 3-tesla and underwent apathy evaluation using the short-Problem Behavior Assessment and short-Lille Apathy Rating Scale, with the latter being characterized into three apathy domains, namely emotional, cognitive, and auto-activation deficit. Diffusion tensor imaging was used to study whether individual differences in specific cortico-striatal tracts predicted global apathy and its subdomains. RESULTS: We elucidate that apathy profiles may develop along differential timelines, with the auto-activation deficit domain manifesting prior to motor onset. Furthermore, diffusion tensor imaging revealed that inter-individual variability in the disruption of discrete cortico-striatal tracts might explain the heterogeneous severity of apathy profiles. Specifically, higher levels of auto-activation deficit symptoms significantly correlated with increased mean diffusivity in the right uncinate fasciculus. Conversely, those with severe cognitive apathy demonstrated increased mean diffusivity in the right frontostriatal tract and left dorsolateral prefrontal cortex to caudate nucleus tract. CONCLUSIONS: The current study provides evidence that white matter correlates associated with emotional, cognitive, and auto-activation subtypes may elucidate the heterogeneous nature of apathy in Huntington's disease, as such opening a door for individualized pharmacological management of apathy as a multidimensional syndrome in other neurodegenerative disorders

Urine NMR-based TB metabolic fingerprinting for the diagnosis of TB in children

Tuberculosis (TB) is a major cause of morbidity and mortality in children, and early diagnosis and treatment are crucial to reduce long-term morbidity and mortality. In this study, we explore whether urine nuclear magnetic resonance (NMR)-based metabolomics could be used to identify differences in the metabolic response of children with different diagnostic certainty of TB. We included 62 children with signs and symptoms of TB and 55 apparently healthy children. Six of the children with presumptive TB had bacteriologically confirmed TB, 52 children with unconfirmed TB, and 4 children with unlikely TB. Urine metabolic fingerprints were identified using high- and low-field proton NMR platforms and assessed with pattern recognition techniques such as principal components analysis and partial least squares discriminant analysis. We observed differences in the metabolic fingerprint of children with bacteriologically confirmed and unconfirmed TB compared to children with unlikely TB (p = 0.041 and p = 0.013, respectively). Moreover, children with unconfirmed TB with X-rays compatible with TB showed differences in the metabolic fingerprint compared to children with non-pathological X-rays (p = 0.009). Differences in the metabolic fingerprint in children with different diagnostic certainty of TB could contribute to a more accurate characterisation of TB in the paediatric population. The use of metabolomics could be useful to improve the prediction of TB progression and diagnosis in children