N-(2-Furylcarbon­yl)piperidine-1-carbo­thio­amide

The title compound, C11H14N2O2S, was synthesized from furoyl isothio­cyanate and piperidine in dry acetone. The thio­urea group is in the thio­amide form. The thio­urea group makes a dihedral angle of 53.9 (1)° with the furan carbonyl group. In the crystal structure, mol­ecules are linked by inter­molecular N—H⋯O hydrogen bonds, forming one-dimensional chains along the c axis. An intramolecular N—H⋯O hydrogen bond is also present

1-(2-Furo­yl)-3-(o-tol­yl)thio­urea

The title compound, C13H12N2O2S, was synthesized from furoyl isothio­cyanate and o-toluidine in dry acetone. The thio­urea group is in the thio­amide form. The central thio­urea fragment makes dihedral angles of 2.6 (1) and 22.4 (1)° with the ketofuran group and the benzene ring, respectively. The mol­ecular structure is stabilized by N—H⋯O hydrogen bonds. In the crystal structure, centrosymmetrically related mol­ecules are linked by a pair of N—H⋯S hydrogen bonds to form a dimer with an R 2 2(6) ring motif

Serum proteomics of active tuberculosis patients and contacts reveals unique processes activated during Mycobacterium tuberculosis infection.

Tuberculosis (TB) is the most lethal infection among infectious diseases. The specific aim of this study was to establish panels of serum protein biomarkers representative of active TB patients and their household contacts who were either infected (LTBI) or uninfected (EMI-TB Discovery Cohort, Pontevedra Region, Spain). A TMT (Tamdem mass tags) 10plex-based quantitative proteomics study was performed in quintuplicate containing a total of 15 individual serum samples per group. Peptides were analyzed in an LC-Orbitrap Elite platform, and raw data were processed using Proteome Discoverer 2.1. A total of 418 proteins were quantified. The specific protein signature of active TB patients was characterized by an accumulation of proteins related to complement activation, inflammation and modulation of immune response and also by a decrease of a small subset of proteins, including apolipoprotein A and serotransferrin, indicating the importance of lipid transport and iron assimilation in the progression of the disease. This signature was verified by the targeted measurement of selected candidates in a second cohort (EMI-TB Verification Cohort, Maputo Region, Mozambique) by ELISA and nephelometry techniques. These findings will aid our understanding of the complex metabolic processes associated with TB progression from LTBI to active disease

Propuesta integradora para un estudio del uso de plantas con propiedades psicoactivas en pipas del período alfarero temprano y sus implicancias sociales

Th is is a new comprehensive approximation to the study of the act of smoking, incorporating the investigation of the social aspects of smoking and the selection of plants through the collection of direct and indirect information. Ethnohistoric and ethnographic documents were consulted, and we obtained direct evidence through the application of recovery techniques and the analysis of microfossils contained in the residues found in pipes from archaeological sites in the northern semi-arid, central and southern Chile. Furthermore, the social operational chain involved in the action of smoking is an important part of this study, as is reaching wider conclusions, reason for which a new approach has been proposed with the object of understanding the defi nition of Smoking Complex.The preliminary results support this study, with the observation of the differential depositation in the chambers and pipes/mouthpieces (cultural depositation) and sediment (natural depositation). In turn, the study differentiates various categories of microfossils and highlights the presence of starches with characteristics that may be attributed to Nicotiana spp. As a part of this proposal, the sequence of social contents linked to the act of smoking is explained and graphically shownas an operational model.Diccionario    Este trabajo es una nueva aproximación integral al estudio de pipas prehispánicas, incorporando la indagación de los aspectos sociales involucrados en el acto de fumar, y la selección de plantas utilizadas para esa finalidad, a través de la recopilación de información indirecta y directa. Se consultaron fuentes etnohistóricas y etnográfi cas que aportan al tema, y se aplicaron técnicas de recuperación y análisis de microfósiles contenidos en residuos adheridos de pipas procedentes de sitios arqueológicos del norte semiárido, zona central y sur de Chile. La cadena social operativa que se desarrolla en los diversos procesos que confluyen en la acción de fumar, es parte importante de este estudio, así como lo es llegar a conclusiones más amplias al proponer un nuevo enfoque para entender la definición de Complejos Fumatorios.Los primeros resultados obtenidos avalan la dirección positiva del estudio realizado, con la observación de residuos diferenciales en los hornillos y los tubos/boquillas (depositación cultural) y los sedimentos (depositación natural). A su vez se discriminan diversas categorías de microfósiles, y se destaca la presencia de almidones cuyas características pueden atribuirse a Nicotiana spp. Como parte de la propuesta, la secuencia de contenidos sociales vinculados a la acción de fumar, es explicada y graficada en un modelo operacional.  

A New Approach to the Synthesis of Benzo[b]naphtho[2,3-b]furan-6,11-diones and 2-Benzyl-3-hydroxynaphthalene-1,4-diones

Here we describe modified syntheses of o-acetylbenzoic acids and o-acetylphenylacetic acids by Heck palladium-catalysed arylation of n-butyl vinyl ether with o-iodobenzoic acids or with o-iodophenylacetic acids, respectively. General syntheses of benzo[b]naphtho[2,3-b]furan-6,11-diones from o-acetylbenzoic acids and 2-benzyl3-hydroxynaphthalene-1,4-diones from o-acetylphenylacetic acids are also reported.This work has received financial support from the Xunta de Galicia (Centro singular de investigación de Galicia accreditation 2016–2019, ED431G/09; and Project GRC2014/040), the European Union (Europe- an Regional Development Fund-ERDF), FONDECYT (Research Grants 1161816 and 1141264) and Galchimia S.A.S

1-Furoyl-3-[3-(trifluoro­meth­yl)phen­yl]thio­urea

The title compound, C13H9F3N2O2S, crystallizes with two independent mol­ecules in the asymmetric unit. The central thio­urea core is roughly coplanar with the furan and benzene rings, showing O—C—N—C(S) torsion angles of 2.3 (4) and −11.4 (2)° and (S)C—N—C—C torsion angles of −2.4 (4) and −28.8 (4)°, respectively, in the two independent mol­ecules. The trans–cis geometry of the thio­urea fragment is stabilized by an intra­molecular N—H⋯O hydrogen bond between the H atom of the cis thio­amide and the carbonyl O atom. In the crystal structure, inter­molecular N—H⋯S hydrogen bonds form centrosymmetric dimers extending along the b axis

Indicadores químicos de combustión en un hogar del Paleolítico Medio del yacimiento de Mediona I (Alt Penedès, Barcelona)

Organical chemical analysis of archaeological soils is a recently developed technique, which considerably increases the information available from ancient remains. The present study gives an example of their capabilities in the reconstruction of the paleoenvironment in the Middle Paleolithic Mediona 1 site. Pyrogenic chemical-markers have been identified from the study of the lipid aromatic fraction in a previously excavated combustion area. These compounds have made it possible to recognize hearths which are not clearly defined by other means.La aplicación del análisis químico orgánico a muestras arqueológicas es una técnica de desarrollo reciente. El estudio de la fracción lipídica (eso es, la fracción de materia extraíble mediante disolventes orgánicos) de restos sedimentarios en yacimientos permite recuperar una información inaccesible a otras técnicas de identificación aplicadas a la Arqueología. Este artículo describe de forma comparativa la fracción aromática del sedimento en el interior y en el exterior de un área de combustión en un yacimiento paleolítico previamente excavado. Asimismo, presenta el análisis de indicadores químicos pirogénicos con una técnica de gran potencial para la identificación de áreas de combustión en yacimientos donde éstos no están claramente definidos (simples manchas sin carbones, agrupación de piedras sin evidencias externas de termo alteración, etc.), siempre comparándolas con muestras de sedimento no termo alterado del mismo nivel arqueológico

Exploring the longitudinal associations of functional network connectivity and psychiatric symptom changes in youth

Background: Functional connectivity has been associated with psychiatric problems, both in children and adults, but inconsistencies are present across studies. Prior research has mostly focused on small clinical samples with cross-sectional designs. Methods: We adopted a longitudinal design with repeated assessments to investigate associations between functional network connectivity (FNC) and psychiatric problems in youth (9- to 17-year-olds, two time points) from the general population. The largest single-site study of pediatric neurodevelopment was used: Generation R (N = 3,131 with data at either time point). Psychiatric symptoms were measured with the Child Behavioral Checklist as broadband internalizing and externalizing problems, and its eight specific syndrome scales (e.g., anxious-depressed). FNC was assessed with two complementary approaches. First, static FNC (sFNC) was measured with graph theory-based metrics. Second, dynamic FNC (dFNC), where connectivity is allowed to vary over time, was summarized into 5 states that participants spent time in. Cross-lagged panel models were used to investigate the longitudinal bidirectional relationships of sFNC with internalizing and externalizing problems. Similar cross-lagged panel models were run for dFNC. Results: Small longitudinal relationships between dFNC and certain syndrome scales were observed, especially for baseline syndrome scales (i.e., rule-breaking, somatic complaints, thought problems, and attention problems) predicting connectivity changes. However, no association between any of the psychiatric problems (broadband and syndrome scales) with either measure of FNC survived correction for multiple testing. Conclusion: We found no or very modest evidence for longitudinal associations between psychiatric problems with dynamic and static FNC in this population-based sample. Differences in findings may stem from the population drawn, study design, developmental timing, and sample sizes.</p

Design of a surface plasmon resonance immunoassay for therapeutic drug monitoring of amikacin

The therapeutic drug monitoring (TDM) of pharmaceutical drugs with narrow therapeutic ranges is of great importance in the clinical setting. It provides useful information towards the enhancement of drug therapies, aiding in dosage control and toxicity risk management. Amikacin is an aminoglycoside antibiotic commonly used in neonatal therapies that is indicated for TDM due to the toxicity risks inherent in its use. Current techniques for TDM such as high performance liquid chromatography (HPLC) and gas chromatography-mass spectrometry (GC-MS) are costly, time consuming, and cannot be performed at the site of action. Over the last decades, surface plasmon resonance (SPR) biosensors have become increasingly popular in clinical diagnostics due to their ability to detect biomolecular interactions in real-time. We present an SPR-based competitive immunoassay for the detection of the antibiotic amikacin, suitable for TDM in both adults and neonates. We have obtained high specificity and sensitivity levels with an IC value of 1.4 ng/mL and a limit of detection of 0.13 ng/mL, which comfortably comply with the drug's therapeutic range. Simple dilution of serum can therefore be sufficient to analyze low-volume real samples from neonates, increasing the potential of the methodology for TDM. Compared to current TDM conventional methods, this SPR-based immunoassay can provide advantages such as simplicity, potential portability, and label-free measurements with the possibility of high throughput. This work is the foundation towards the development of an integrated, simple use, highly sensitive, fast, and point-of-care sensing platform for the opportune TDM of antibiotics and other drugs in a clinical setting

A basis for variational calculations in d dimensions

In this paper we derive expressions for matrix elements (\phi_i,H\phi_j) for the Hamiltonian H=-\Delta+\sum_q a(q)r^q in d > 1 dimensions. The basis functions in each angular momentum subspace are of the form phi_i(r)=r^{i+1+(t-d)/2}e^{-r^p/2}, i >= 0, p > 0, t > 0. The matrix elements are given in terms of the Gamma function for all d. The significance of the parameters t and p and scale s are discussed. Applications to a variety of potentials are presented, including potentials with singular repulsive terms of the form b/r^a, a,b > 0, perturbed Coulomb potentials -D/r + B r + Ar^2, and potentials with weak repulsive terms, such as -g r^2 + r^4, g > 0.Comment: 22 page