D,L-Citrullinato-bipyridine Copper Complex: Experimental and Theoretical Characterization

Citrulline is a non-protein amino acid that acts as a metabolic intermediate in the urea cycle and arginine synthesis. It is present in some foods, although its name derives from watermelon (Citrullus vulgaris), from which it was first identified. Under normal conditions, Citrulline exists as a zwitterion in aqueous solutions since its carboxylic and amine groups can act as Lewis donors to chelate metal cations. In addition, Citrulline possesses in the aliphatic chain a terminal ureide group, which could also coordinate. Although Citrulline is comparable to other classical amino acids, its coordination chemistry has yet to be explored. Only two metal complexes have been reported, and the copper complex is a polymeric and insoluble material. As part of our search for active Casiopeina® analogs, we created a more soluble complex by combining 2,20-Bipyridine into a new mixed material, resulting in the mononuclear complex [Cu(Bipy)(Citr)(H2O)(NO3)] H2O. Singlecrystal X-ray diffraction, spectroscopic methods (FT-IR, UV-Vis, Raman), and mass spectrometry characterized the material. Interestingly, both isomers of Citrulline, R(D), and S(L) are present in the same crystal. In addition, the molecular structure and electronic properties of the complex were calculated using density functional theory (DFT). Non-covalent interactions were characterized using the atoms-in-molecules (AIM) approach and Hirshfeld surface (HS) analysis. This ternary complex containing Citrulline and 2,20-Bipyridine will be used for docking calculations and preliminary biological studies using calf thymus DNA (CT-DNA) and plasmid pUC19 as a first approximation to cytotoxic activity against cancer cell linesProject 100517029-VIEP (BUAP, México)The PRODEP Academic Group BUAP-CA-263 (SEP, Mexico)Ministerio de UniversidadesNext Generation for the Margarita Salas contract 401 (Spain

Incumplimiento y depresión

Tensión arterial elevada desde hace varios años, tiene prescrito enalapril 20 mg (1-1-0) desde que se le detectó el problema. Actualmente está bien controlado. _ Depresión desde hace 1 año. Ha estado tratado por un psiquiatra de la seguridad social que le tenía prescrito paroxetina 20 mg (1-0-0). Con esta medicación el paciente sentía que iba mejorando poco a poco. Cuando fue de nuevo a consulta, le recibió otro psiquiatra, que le cambió el tratamiento, indicándole la retirada de paroxetina y el inicio de mirtazapina 20 mg (1-0-0) y clorazepato dipotásico 5 mg (1-1-1). Este último fármaco hasta que se sienta claramente mejor. _ Alteración del sueño desde hace 2 años. Tiene prescrito lorazepam 1 mg (0-0-1). Le ayuda bastante a dormir

Therapy and diagnosis of Alzheimer’s disease: from discrete metal complexes to metal–organic frameworks

Alzheimer’s disease (AD) is a neurodegenerative disorder affecting 44 million people worldwide. Although many issues (pathogenesis, genetics, clinical features, and pathological aspects) are still unknown, this disease is characterized by noticeable hallmarks such as the formation of b-amyloid plaques, hyperphosphorylation of tau proteins, the overproduction of reactive oxygen species, and the reduction of acetylcholine levels. There is still no cure for AD and the current treatments are aimed at regulating the cholinesterase levels, attenuating symptoms temporarily rather than preventing the AD progression. In this context, coordination compounds are regarded as a promissing tool in AD treatment and/or diagnosis. Coordination compounds (discrete or polymeric) possess several features that make them an interesting option for developing new drugs for AD (good biocompatibility, porosity, synergetic effects of ligand–metal, fluorescence, particle size, homogeneity, monodispersity, etc.). This review discusses the recent progress in the development of novel discrete metal complexes and metal–organic frameworks (MOFs) for the treatment, diagnosis and theragnosis of AD. These advanced therapies for AD treatment are organized according to the target: Ab peptides, hyperphosphorylated tau proteins, synaptic dysfunction, and mitochondrial failure with subsequent oxidative stressMOFSEIDON project (PID2019- 104228RB-100, MCI/AEI/FEDER)AgroMOFs project (TED2021-132440B-I00)MCIN/AEI/10.13039/50110 0011033NextGenerationEU/PRTRMargarita Salas contract 401Ministerio de Universidades and Next GenerationB- FQM-394, ProyExcel_00105ProyExcel_00386Consejería de Universidad, Investigación e Innovación de la Junta de AndalucíaGrant (RYC2021-032522-I)MCIN/AEI/10.13039/ 50110001103

Role of hydrazone substituents in determining the nuclearity and antibacterial activity of Zn(II) complexes with pyrazolone-based hydrazones

Hydrazones and their metal derivatives are very important compounds in medicinal chemistry due to their reported variety of biological activities, such as antibacterial, antifungal and anticancer action. Five hydrazone- pyrazolone ligands H2Ln (n = 1–5) were prepared and fully characterized and their tautomerism was investigated in the solid state and solution. Five zinc(II) complexes 1–5 of composition [Zn(HLn)2] (n = 1 and 2), [Zn(HLn)2(H2O)2] (n = 3 and 5) and [Zn(HL4)2]n were synthesized and characterized by elemental analysis, IR, 1H, 19F, 13C, and 15N NMR spectroscopy, and ESI mass spectrometry. In addition, the structures of two ligands and three complexes were determined by single-crystal X-ray diffraction. The ligands H2L2 and H2L4 exist both in the NH,NH tautomeric form. Complexes 1 and 2 are mononuclear compounds, while complex 4 is a one-dimensional coordination compound. Density functional theory (DFT) calculations were carried out on proligands, their anions and all zinc complexes, confirming the experimental results, supporting IR and NMR assignments and giving proofs of the mononuclear diaqua structure of complexes 3 and 5. The antibacterial activity of the free ligands and the Zn(II) complexes was established against Escherichia coli and Staphylococcus aureus, and a strong efficiency has been found for Zn(II) complexes, particularly for the polynuclear 4 and the mononuclear diaqua complex 5, the latter containing a ligand with aliphatic and fluorinated substituents able to compromise the permeability of and disrupt the bacterial cell membrane.University of Camerino (Italy)European Commission PRIMA19_00246Ministry of Education, Universities and Research (MIUR)POR Marche FSEInstituto de Salud Carlos IIISpanish Government PGC2018-093443-B-I0

Copper Glufosinate-Based Metal−Organic Framework as a Novel Multifunctional Agrochemical

Pesticides are agrochemical compounds used to kill pests (insects, rodents, fungi, or unwanted plants), which are key to meet the world food demand. Regrettably, some important issues associated with their widespread/extensive use (contamination, bioaccumulation, and development of pest resistances) demand a reduction in the amount of pesticide applied in crop protection. Among the novel technologies used to combat the deterioration of our environment, metal−organic frameworks (MOFs) have emerged as innovative and promising materials in agroindustry since they possess several features (high porosity, functionalizable cavities, ecofriendly composition, etc.) that make them excellent candidates for the controlled release of pesticides. Moving toward a sustainable development, in this work, we originally describe the use of pesticides as building blocks for the MOF construction, leading to a new type of agricultural applied MOFs (or AgroMOFs). Particularly, we have prepared a novel 2D-MOF (namely, GR-MOF-7) based on the herbicide glufosinate and the widely used antibacterial and fungicide Cu2+. GR-MOF-7 crystallizes attaining a monoclinic P21/c space group, and the asymmetric unit is composed of one independent Cu2+ ion and one molecule of the Glu2− ligand. Considering the significant antibacterial activity of Cu-based compounds in agriculture, the potential combined bactericidal and herbicidal effect of GR-MOF-7 was investigated. GR-MOF-7 shows an important antibacterial activity against Staphylococcus aureus and Escherichia coli (involved in agricultural animal infections), improving the results obtained with its individual or even physical mixed precursors [glufosinate and Cu(NO3)2]. It is also an effective pesticide against germination and plant growth of the weed Raphanus sativus, an invasive species in berries and vines crops, demonstrating that the construction of MOFs based on herbicide and antibacterial/antifungal units is a promising strategy to achieve multifunctional agrochemicals. To the best of our knowledge, this first report on the synthesis of an MOF based on agrochemicals (what we have named AgroMOF) opens new ways on the safe and efficient MOF application in agriculture.project MOFseidon PID2019-104228RB-I00Juan de la Cierva incorporation JC2019-038894-I and Multifunctional Metallodrugs in Diagnosis and Therapy Network (MICIU) RED2018-102471-TComunidad de MadridEuropean Regional Development Fund-FEDER 2014-2020-OE REACTUEUniversidad de Granada/CBUAEuropean Union NextGenerationEU/PRT

Errores ortográficos como recursos comunicativos

Desde el punto de vista de la lingüística cognitivo-prototípica se considera que los fenómenos pragmáticos motivan los medios de expresión. Nos ocupamos en este caso de la ortografía. Específicamente, sostenemos que el sujeto que conoce el recurso de la acentuación gráfica, pero que por alguna causa no se siente condicionado por la normativa, hace uso de la estrategia de asignación de acento gráfico para manifestar énfasis en su mensaje. Borzi y García Jurado (2001) analizaron la relación énfasis/acento gráfico en verbos monosilábicos con [ie] (fie). El presente trabajo profundiza el estudio de asignación de acento gráfico en monosílabos, asignación que se hace para manifestar énfasis en alguno de los siguientes aspectos: 1) en la presencia del hablante en el mensaje (en el ordenamiento de la escena); 2) en cierta información (la más nueva, la más comprometida con el hablante o la relativa al desarrollo de la acción). Se espera que los resultados abran una vía alternativa para el diseño de estrategias destinadas al proceso de enseñanza-aprendizaje de la ortografía del español.From the cognitive prototypical linguistics viewpoint, it is considered that pragmatic phenomena motivate ways of expression. Our interest is focussed on orthography. Specifically we consider that the subject who knows the resource of written accent, but who, for some reason, does not feel conditioned by the rule, makes use of the strategy of written accent to show emphasis in his message. Borzi y García Jurado (2001) analyzed the relationship between emphasis and written accent in monosyllabic verbs with [ie] (fie). This paper studies in depth the use of written accent on monosyllabic words in order to emphasize one of the following aspects: 1) the presence of the speaker in the message (in the ordering of the scene); 2) certain information (the newest, the piece of information related to the speaker, or to the development of the action). The results of this research may offer an alternative for the design of strategies to facilitate the process of teaching and learning Spanish orthography

Interacciones farmacológicas relacionadas con el citocromo P-450: Presentación de un caso

ANTECEDENTES Varón de 75 años, diagnosticado de fibrilación auricular, hipertensión y urgencia urinaria, con calidad de vida e independencia óptima hasta hace dos meses.RAZÓN DE CONSULTA Un familiar del paciente hace la siguiente consulta en la farmacia: desde hace dos meses presenta rinitis, boca seca, no puede respirar bien, incluso habla “gangoso”. Se le diagnosticó parálisis del velo del paladar como causante de estos problemas. El paciente está muy angustiado y su familiar pregunta si esta situación pudiera estar provocada o empeorada por la medicación que utiliza

Effectiveness of psychological interventions for eating disorders in adolescence: An overview of systematic reviews

Eating disorders (EDs) are high prevalent among adolescents with serious consequences. Evidence of effectiveness of psychological interventions for eating disorders in adolescents lacks a systematic synthesis of systematic reviews. The goal of this umbrella review is to summarize evidence from systematic reviews examining effects of psychological interventions for eating disorders targeting adolescents. Web of Science, PsycINFO and Cochrane Database of Systematic Reviews were searched for systematic reviews on effectiveness and/or efficacy of any psychological intervention aiming to treat eating disorders in terms of outcomes in adolescents (improvement of eating-disorder symptoms, weight restoration and treatment retention). The methodological quality of each study was assessed using AMSTAR 2. The original search identified 831 reviews, 9 of which were included in the overview of systematic reviews rated as having a low methodological quality. Predominant psychological interventions for EDs in adolescents are family-based interventions. The efficacy of cognitive behavioral therapy and third-wave treatments has been less researched. Anorexia nervosa and bulimia nervosa are the EDs that have been studied the most. This study provides evidence supporting the positive impact of psychological interventions on eating disorders in adolescents. Family based treatment is the most evidence-based psychological intervention. There is a need for high-quality systematic reviews as well as systematic reviews to examine if psychological interventions are effective for different eating disordersEficacia de las Intervenciones Psicológicas en el Tratamiento de los Trastornos Alimentarios en Adolescentes: Una Meta-Revisión. La prevalencia de los trastornos alimentarios es elevada entre los adolescentes con consecuencias graves. La evidencia de la eficacia de las intervenciones psicológicas para los trastornos alimentarios en adolescentes carece de una meta-revisión de revisiones sistemáticas. El objetivo de esta revisión paraguas es resumir la evidencia de las revisiones sistemáticas que examinan los efectos de las intervenciones psicológicas para los trastornos alimentarios en adolescentes. Se realizaron búsquedas en Web of Science, PsycINFO y Cochrane Database of Systematic Reviews de revisiones sistemáticas sobre la efectividad y/o eficacia de las intervenciones psicológicas para trastornos alimentarios en adolescentes (reducción de síntomas, restauración del peso y retención en el tratamiento). La calidad metodológica de cada estudio se evaluó mediante AMSTAR 2. En la búsqueda inicial se identificaron 831 registros, y 9 revisiones sistemáticas se incluyeron en la meta-revisión con una valoración de calidad metodológica baja. Las intervenciones psicológicas predominantes para los trastornos alimentarios en adolescentes fueron las intervenciones basadas en la familia. La eficacia de la terapia cognitivo-conductual y los tratamientos de tercera generación está menos estudiada. La anorexia nerviosa y la bulimia nerviosa son los trastornos alimentarios con mayor número de estudios. Hay evidencia del impacto positivo de las intervenciones psicológicas para los trastornos alimentarios en adolescentes. El tratamiento basado en la familia es la intervención psicológica con mayor evidencia. Se necesitan revisiones sistemáticas de mayor calidad, así como revisiones sistemáticas para examinar la eficacia de las intervenciones psicológicas para los distintos trastornos alimentario

Bis-Citrullinato Copper(II) Complex: Synthesis, Crystal Structure, and Non-Covalent Interactions

Citrulline (C6H13N3O3) is a non-protein amino acid found in watermelon. In physiological conditions, it is almost entirely present as a zwitterion, so its carboxylic and amine groups can act as Lewis donors, chelating metallic cations. In addition, Citrulline possesses a terminal ureide group of the aliphatic chain, which appears to be non-innocent. Although Citrulline is similar to other classical amino acids, only one coordination complex has been reported in the Cambridge Crystallographic Database. As part of our search for Casiopeina® analogs, we synthesized and characterized the copper bis-citrullinato complex, [Cu(Citr)2]n. The compound was described using UV-Vis, Infrared, and Raman spectroscopy, together with single-crystal X-ray diffraction. Computational tools were also used. The optimized structure, MEP map, IR and Raman spectra, and 1H and 13C chemical shifts were obtained with functional mPW1PW91 using 6-31G(d) basis set for N, O, C, and H atoms, and LANL2DZ basis set and ECP=LANL2DZ for the Cu atom. TD-mPW1PW91 calculations generated the UV-Vis spectrum. Finally, AIM and Hirshfeld surface analysis were used to examine noncovalent interactions. Previous investigations suggest Casiopeina®-like complexes can interact with DNA/RNA, creating potential anticancer chemicals. The [Cu(Citr)2]n complex’s polymeric nature and insolubility make it difficult for such purposes. However, the facile synthesis of D-Citrulline could be a novel way to find new applications for this interesting amino acid.PRODEP Academic Group (SEP, Mexico) BUAP-CA-263Ministerio de Universidades and Next Generation for the Margarita Salas contract (Spain) 401 100108444-VIEP 100256733-VIEP 100233622-VIE