Crystal structures of three 6-substituted coumarin-3-carboxamide derivatives

Three coumarin derivatives, viz. 6-methyl-N-(3-methyl-phen-yl)-2-oxo-2H-chromene-3-carboxamide, C18H15NO3 (1), N-(3-meth-oxy-phen-yl)-6-methyl-2-oxo-2H-chromene-3-carboxamide, C18H15NO4 (2), and 6-meth-oxy-N-(3-meth-oxy-phen-yl)-2-oxo-2H-chromene-3-carboxamide, C18H15NO5 (3), were synthesized and structurally characterized. The mol-ecules display intra-molecular N-H⋯O and weak C-H⋯O hydrogen bonds, which probably contribute to the approximate planarity of the mol-ecules. The supra-molecular structures feature C-H⋯O hydrogen bonds and π-π inter-actions, as confirmed by Hirshfeld surface analyses.info:eu-repo/semantics/publishedVersio

Analysing sulphate and chloride in mineral drinking water by flow injection analysis with a single acoustic wave sensor

Sulphate is a very hydrophilic anion, and, therefore, difficult to be selectively determined in aqueous solution with a coated sensor. Zinc(II) 2,3,9,10,16,17,23,24-Octatosylaminophthalocyanine was used for the first time as a sensitive coating. Selectivity to sulphate regarding chloride was not enough to ignore its contribution in mineral waters, and, therefore, an analytical protocol was carefully designed to allow the determination of both anions with this sensor. Results displayed on the label of eight commercial bottles of mineral waters are within the confidence interval of the values obtained with the FIA-sensor system, both for chloride and sulphate. However, results for chloride obtained by titrimetry are, in half of the cases, statistically different from the ones obtained by the sensor, and in 7 out of 8 of them more precise. There is an evidence of a systematic error in the chloride titrimetric analysis, consistent with a small overtaking of the equivalence point. Precision of the results obtained by the titrimetric analysis of sulphate were in 6 out of 8 of the analysis less precise than with the sensor, probably due to losses of the barium sulphate precipitate, which is consistent with the occurrence of lower values.publishe

The supramolecular structures of oximes: an update and the crystal structure of 1,3-diphenyl-propan-2-one oxime

The crystal structure of 1,3-diphenyl-propan-2-one oxime, C15H15NO, is described. The compound crystallises in the monoclinic space group C2/c. Centrosymmetrically related molecules are linked to form R22 (6) dimers. An update, since 2003, of a systematic analysis of the hydrogen bonding patterns in oxime structures with and without competitive O-H...A type acceptors (an acceptor other than the nitrogen of the oxime) functional group is made, taking into account their moieties. The majority of these oximes form dimeric, R22 (6), structures but R33 (8) and R44 (12) were also found. C3 chains which were classically claimed as the usual oxime H-bond pattern were rarely observed. They are mostly found in aldoxime structures

Injectable and tunable hyaluronic acid hydrogels releasing chemotactic and angiogenic growth factors for endodontic regeneration

Bioengineered soft tissues on any meaningful scale or complexity must incorporate aspects of the functional tissue, namely a vasculature, providing cells oxygen and nutrients critical for their survival. However, the ability of tissue engineering strategies to promote a fast revascularization is critically limited. Particularly in endodontic regenerative therapies, the complicated anatomy of the root canal system, and the narrow apical access limit the supply of new blood vessels and pulp tissue ingrowth. Here we characterize the viscoelastic and microstructural properties of a class of injectable hyaluronic acid (HA) hydrogels formed in situ, reinforced with cellulose nanocrystals (CNCs) and enriched with platelet lysate (PL), and test its ability to promote cells recruitment and proangiogenic activity in vitro. The incorporation of CNCs enhanced the stability of the materials against hydrolytic and enzymatic degradation. Moreover, the release of the chemotactic and pro-angiogenic growth factors (GFs) (PDGF and VEGF) from the PL-laden hydrogels showed an improved sustained profile proportional to the amount of incorporated CNCs. The PL-laden hydrogels exhibited preferential supportive properties of encapsulated human dental pulp cells (hDPCs) in in vitro culture conditions. Finally, PL-laden hydrogels stimulated chemotactic and pro-angiogenic activity by promoting hDPCs recruitment and cell sprouting in hDPCs/human umbilical vein endothelial cell co-cultures in vitro, and in an ex vivo model. These results support the use of the combined system as a scaffold for GFs delivery and cells recruitment, thereby exhibiting great clinical potential in treating injuries in vascularized tissues.RECOGNIZE project (UTAP-ICDT/CTM-BIO/0023/2014), project NORTE-01-0145-FEDER-000021. R.M.A. Domingues acknowledges FCT for SFRH/BPD/112459/2015. P.S. Babo acknowledges the project FOOD4CELLS (PTDC/CTM-BIO/4706/2014-POCI-01-0145-FEDER 016716) for his post-doc grantinfo:eu-repo/semantics/publishedVersio

Using stated preference methods to assess environmental impacts of forest biomass power plants in Portugal

As a renewable energy source, the use of forest biomass for electricity generation is advantageous in comparison with fossil fuels, however the activity of forest biomass power plants causes adverse impacts, affecting particularly neighbouring communities. The main objective of this study is to estimate the effects of the activity of forest biomass power plants on the welfare of two groups of stakeholders, namely local residents and the general population and we apply two stated preference methods: contingent valuation and discrete choice experiments, respectively. The former method was applied to estimate the minimum compensation residents of neighbouring communities of two forest biomass power plants in Portugal would be willing to accept. The latter method was applied among the general population to estimate their willingness to pay to avoid specific environmental impacts. The results show that the presence of the selected facilities affects individuals’ well-being. On the other hand, in the discrete choice experiments conducted among the general population all impacts considered were significant determinants of respondents’ welfare levels. The results of this study stress the importance of performing an equity analysis of the welfare effects on different groups of stakeholders from the installation of forest biomass power plants, as their effects on welfare are location and impact specific. Policy makers should take into account the views of all stakeholders either directly or indirectly involved when deciding crucial issues regarding the sitting of new forest biomass power plants, in order to achieve an efficient and equitable outcome

Analysis of the immunological biomarker profile during acute zika virus infection reveals the overexpression of CXCL10, a chemokine linked to neuronal damage

BACKGROUND Infection with Zika virus (ZIKV) manifests in a broad spectrum of disease ranging from mild illness to severe neurological complications and little is known about Zika immunopathogenesis. OBJECTIVES To define the immunologic biomarkers that correlate with acute ZIKV infection. METHODS We characterized the levels of circulating cytokines, chemokines, and growth factors in 54 infected patients of both genders at five different time points after symptom onset using microbeads multiplex immunoassay; comparison to 100 age-matched controls was performed for statistical analysis and data mining. FINDINGS ZIKV-infected patients present a striking systemic inflammatory response with high levels of pro-inflammatory mediators. Despite the strong inflammatory pattern, IL-1Ra and IL-4 are also induced during the acute infection. Interestingly, the inflammatory cytokines IL-1β, IL-13, IL-17, TNF-α, and IFN-γ; chemokines CXCL8, CCL2, CCL5; and the growth factor G-CSF, displayed a bimodal distribution accompanying viremia. While this is the first manuscript to document bimodal distributions of viremia in ZIKV infection, this has been documented in other viral infections, with a primary viremia peak during mild systemic disease and a secondary peak associated with distribution of the virus to organs and tissues. MAIN CONCLUSIONS Biomarker network analysis demonstrated distinct dynamics in concurrence with the bimodal viremia profiles at different time points during ZIKV infection. Such a robust cytokine and chemokine response has been associated with blood-brain barrier permeability and neuroinvasiveness in other flaviviral infections. High-dimensional data analysis further identified CXCL10, a chemokine involved in foetal neuron apoptosis and Guillain-Barré syndrome, as the most promising biomarker of acute ZIKV infection for potential clinical application. © 2018, Fundacao Oswaldo Cruz. All rights reserved