Supramolecular study, Hirshfeld analysis and theoretical study of 6-methoxyquinoline N-oxide dihydrate

In the crystal structure of 6-methoxyquinoline N-oxide dihydrate, C10H9NO2 center dot 2H(2)O, (I), the presence of two-dimensional water networks is analysed. The water molecules form unusual water channels, as well as two intersecting mutually perpendicular columns. In one of these channels, the O atom of the N-oxide group acts as a bridge between the water molecules. The other channel is formed exclusively by water molecules. Confirmation of the molecular packing was performed through the analysis of Hirshfeld surfaces, and (I) is compared with other similar isoquinoline systems. Calculations of bond lengths and angles by the Hartree-Fock method or by density functional theory B3LYP, both with 6-311++G(d,p) basis sets, are reported, together with the results of additional IR, UV-Vis and theoretical studies

Fatty acid metabolism in the calanoid copepod Paracalanus parvus: 1 : Polyunsaturated fatty acids

The metabolic fate of radioactive linoleate and α-linolenate administered to the South Atlantic copepodParacalanus parvus was studied. The wild copepod was able to incorporate the labeled acids dissolved in seawater. The radioactive linoleate was elongated to 20∶2ω6 and 22∶2ω6 and desaturated by a Δ6 desaturase to 18∶3ω6. α-Linolenate was also desaturated by a Δ6 desaturase to 18∶4ω3 and elongated to 20∶3ω3. The copepod was able to convert α-18∶3 to 20∶5ω3 and 22∶6ω3.Facultad de Ciencias Médica

ESPECTRA: Searching the Bipolar Spectrum in Eating Disorder patients

<p>Abstract</p> <p>Background</p> <p>Bipolar Disorder (BD) is a chronic, recurrent and highly prevalent illness. Despite the need for correct diagnosis to allow proper treatment, studies have shown that reaching a diagnosis can take up to ten years due to the lack of recognition of the broader presentations of BD. Frequent comorbidities with other psychiatric disorders are a major cause of misdiagnosis and warrant thorough evaluation.</p> <p>Methods/Design</p> <p>ESPECTRA (<it>Occurrence of Bipolar Spectrum Disorders in Eating Disorder Patients</it>) is a single-site cross-sectional study involving a comparison group, designed to evaluate the prevalence of bipolar spectrum in an eating disorder sample. Women aged 18-45 years will be evaluated using the SCID-P and Zurich criteria for diagnosis and the HAM-D, YOUNG, SCI-MOODS, HCL-32, BIS-11, BSQ, WHOQoL and EAS instruments for rating symptoms and measuring clinical correlates.</p> <p>Discussion</p> <p>The classificatory systems in psychiatry are based on categorical models that have been criticized for simplifying the diagnosis and leading to an increase in comorbidities. Some dimensional approaches have been proposed aimed at improving the validity and reliability of psychiatric disorder assessments, especially in conditions with high rates of comorbidity such as BD and Eating Disorder (ED). The Bipolar Spectrum (BS) remains under-recognized in clinical practice and its definition is not well established in current diagnostic guidelines. Broader evaluation of psychiatric disorders combining categorical and dimensional views could contribute to a more realistic understanding of comorbidities and help toward establishing a prognosis.</p

2-(Phenyl­carbonothio­ylsulfan­yl)acetic acid

The title compound, C9H8O2S2, can be used as a chain transfer agent and may be used to control the behavior of polymerization reactions. O—H⋯O hydrogen bonds of moderate character link the mol­ecules into dimers. In the crystal, the dimers are linked into sheets by C—H⋯O inter­actions, forming R 4 2(12) and R 2 2(8) edge-fused rings running parallel to [101]. There are no inter­molecular inter­actions involving the S atoms

4-Methyl­phenyl 4-bromo­benzoate

In the title compound, C14H11BrO2, an ester formed from the reaction of 4-methyl­phenol with 4-bromo­benzoyl­chloride, the dihedral angle between the benzene rings is 54.43 (7)°, indicating a twist in the mol­ecule. In the crystal, weak C—H⋯O inter­actions link the mol­ecules into supra­molecular layers in the bc plane, and these are connected along the a axis by Br⋯Br contacts [3.6328 (5) Å]

A new primitive Neornithischian dinosaur from the Jurassic of Patagonia with gut contents

We describe a new species of an ornithischian dinosaur, Isaberrysaura mollensis gen. et sp. nov. The specimen, consisting in an almost complete skull and incomplete postcranium was collected from the marine-deltaic deposits of the Los Molles Formation (Toarcian-Bajocian), being the first reported dinosaur for this unit, one of the oldest from Neuquén Basin, and the first neornithischian dinosaur known from the Jurassic of South America. Despite showing a general stegosaurian appearance, the extensive phylogenetic analysis carried out depicts Isaberrysaura mollensis gen. et sp. nov. as a basal ornithopod, suggesting that both Thyreophora and neornithischians could have achieved significant convergent features. The specimen was preserved articulated and with some of its gut content place in the middle-posterior part of the thoracic cavity. Such stomach content was identified as seeds, most of them belonging to the Cycadales group. This finding reveals a possible and unexpected role of this ornithischian species as seed-dispersal agent.Facultad de Ciencias Naturales y Muse

2-Bromo-2-methyl-N-(4-nitro­phen­yl)propanamide

The title compound, C10H11BrN2O3, exhibits a small twist between the amide residue and benzene ring [the C—N—C—C torsion angle = 12.7 (4)°]. The crystal structure is stabilized by weak N—H⋯O, C—H⋯Br and C—H⋯O inter­actions. These lead to supra­molecular layers in the bc plane

Unravelling the relevance of the polyadenylation factor EhCFIm25 in entamoeba histolytica through proteomic analysis

We recently reported that silencing of the polyadenylation factor EhCFIm25 in Entamoeba histolytica, the protozoan which causes human amoebiasis, affects trophozoite proliferation, death, and virulence, suggesting that EhCFIm25 may have potential as a new biochemical target. Here, we performed a shotgun proteomic analysis to identify modulated proteins that could explain this phenotype. Data are available via ProteomeXchange with identifier PXD027784. Our results revealed changes in the abundance of 75 proteins. Interestingly, STRING analysis, functional GO‐term annotations, KEGG analyses, and literature review showed that modulated proteins are mainly related to glycolysis and carbon metabolism, cytoskeleton dynamics, and parasite virulence, as well as gene expression and protein modifications. Further studies are needed to confirm the hypotheses emerging from this proteomic analysis, to thereby acquire a comprehensive view of the molecular mechanisms involved

4-formyl-2-nitrophenyl 2-chlorobenzoate

In the title compound, C14H8ClNO5, the benzene rings form a dihedral angle of 19.55 (9)° . The mean plane of the central ester group [r.m.s. deviation = 0.024 A] forms dihedral angles of 53.28 (13) and 36.93 (16)°, respectively, with the nitro- and chloro-substituted rings. The nitro group forms a dihedral angle of 19.24 (19)° with the benzene ring to which it is attached. In the crystal, molecules are linked by weak C- H...O hydrogen bonds, forming C(7) chains, which run along [100]