Crystal structure of (E)-1-{[(3,5-dimethylphenyl)imino]methyl}naphthalen-2-ol

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence.The title compound, C19H17NO, has an E conformation about the N=C bond. The mol­ecule is relatively planar, with the benzene ring and naphthalene ring plane being inclined to one another by 4.28 (10)°. There is an intra­molecular O—H⋯N hydrogen bond generating an S(6) ring motif. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, forming chains propagating along [100]. Within the chains there are π–π inter­actions involving the benzene ring and the naphthalene ring system of an adjacent mol­ecule [inter-centroid distance = 3.6405 (14) Å].We thank the Spanish Ministerio de Economía y Competitividad (MAT2013-40950-R and FPI grants: BES-2011-046948 to author MSMA) and the ERDF for financial support.Peer Reviewe

Synthesis and structural characterization of trans-bis[1,3-bis(methoxy- ethyl)-4,5-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichloro- palladium(II)

A Pd(II) complex of a new N-heterocyclic carbene (NHC) ligand with bulky substituents and functionalized methoxy-donor side arms has been synthesized and characterized by elemental analyses, 1H and 13C NMR, and IR spectroscopy. Molecular and crystal structures of the title complex have been determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P21/c, with a = 15.927(2), b = 8.489(2), c = 20.309(5) Å, β = 99.213(2)°, Z = 2, Dx = 1.253 g cm-3. The palladium atom is situated on an inversion center. There are several weak intramolecular C-H⋯N/O interactions. © 2007 Verlag der Zeitschrift für Naturforschung

(E)-4-(1,3-Benzodioxol-5-yl)but-3-en-2-one

In the title compound, C11H10O3, the benzodioxole ring adopts a flattened [puckering parameters: q 2 = 0.107 (2) Å, ϕ2 = 160 (1)°] envelope conformation with the methylene C atom as the flap. The crystal packing features chains, parallel to the c axis, composed of dimers connected by weak C—H–O hydrogen bonds and extending in layers in the bc plane

Sonochemical synthesis, characterization, and effects of temperature, power ultrasound and reaction time on the morphological properties of two new nanostructured mercury(II) coordination supramolecule compounds

Two new mercury(II) coordination supramolecular compounds (CSCs) (1D and 0D), [Hg(L)(I)] (1) and [Hg(L')(SCN)]·2HO (2) (L = 2-amino-4-methylpyridine and L' = 2,6-pyridinedicarboxlic acid), have been synthesized under different experimental conditions. Micrometric crystals (bulk) or nano-sized materials have been obtained depending on using the branch tube method or sonochemical irradiation. All materials have been characterized by field emission scanning electron microscope (FESEM), scanning electron microscopy (SEM), powder X-ray diffraction (PXRD) and FT-IR spectroscopy. Single crystal X-ray analyses on compounds 1 and 2 show that Hg ions are 4-coordinated and 5-coordinated, respectively. Topological analysis shows that the compound 1 and 2 have 2C1, sql net. The thermal stability of compounds 1 and 2 in bulk and nano-size has been studied by thermal gravimetric (TG), differential thermal analyses (DTA) for 1 and differential scanning calorimetry (DSC) for 2, respectively. Also, by changing counter ions were obtained various structures 1 and 2 (1D and 0D, respectively). The role of different parameters like power of ultrasound irradiation, reaction time and temperature on the growth and morphology of the nano-structures are studied. Results suggest that increasing power ultrasound irradiation and temperature together with reducing reaction time and concentration of initial reagents leads to a decrease in particle size

Demografía y crecimiento primario durante la regeneración de tres especies de pino a lo largo de gradientes climáticos

13 páginas, 4 figuras y 3 tablasLa regeneración es un proceso crítico en la dinámica de los bosques, que presenta una marcada heterogeneidad temporal y espacial. En este trabajo se pretende avanzar en el conocimiento de las variables bióticas y abióticas que determinan a escala local la presencia, abundancia y crecimiento primario de plántulas de tres especies de pino: Pinus sylvestris, P. nigra y P. uncinata, y determinar el efecto relativo del clima. Para ello se muestrearon 216 parcelas distribuidas a lo largo de gradientes climáticos en siete localidades montañosas. Se censaron las plántulas recién emergidas y el resto de juveniles, y se midieron los crecimientos anuales. Los resultados mostraron diferencias significativas entre especies con efectos directos e indirectos del clima sobre la demografía y el estado de los juveniles. En las tres especies se apreció que la supervivencia de los juveniles aparecía desplazada hacia altitudes mayores respecto donde se producía el óptimo de la emergencia. Las relaciones locales de competencia y facilitación ejercieron efectos importantes sobre la regeneración de las tres especies, siendo éstos modulados por el clima.Ministerio Español de Innovación y Ciencia Consolider-Montes (CSD2008_00040), Los autores agradecen a toda la gente que hizo posible el trabajo de campo: R. Freire, B. Santamaría, J. Martínez, D. López, R. Ruíz-Puche, E. Molina, L. Ivorra, S. Martín, B. Ros y C. Boubekeur. También el apoyo estadístico de R. Manson.Proyecto europeo BACCARA (CE: FP7-226299, 7FP)Peer reviewe

A New Zn(II) Metal Hybrid Material of 5-Nitrobenzimidazolium Organic Cation (C7H6N3O2)2[ZnCl4]: Elaboration, Structure, Hirshfeld Surface, Spectroscopic, Molecular Docking Analysis, Electric and Dielectric Properties

The slow solvent evaporation approach was used to create a single crystal of (CHNO)[ZnCl] at room temperature. Our compound has been investigated by single-crystal XRD which declares that the complex crystallizes in the monoclinic crystallographic system with the P2/c as a space group. The molecular arrangement of the compound can be described by slightly distorted tetrahedral ZnCl anionic entities and 5-nitrobenzimidazolium as cations, linked together by different non-covalent interaction types (H-bonds, Cl…Cl, π…π and C–H…π). Hirshfeld’s surface study allows us to identify that the dominant contacts in the crystal building are H…Cl/Cl…H contacts (37.3%). FT-IR method was used to identify the different groups in (CHNO)[ZnCl]. Furthermore, impedance spectroscopy analysis in 393 ≤ T ≤ 438 K shows that the temperature dependence of DC conductivity follows Arrhenius’ law. The frequency–temperature dependence of AC conductivity for the studied sample shows one region (E = 2.75 eV). In order to determine modes of interactions of compound with double stranded DNA, molecular docking simulations were performed at molecular level

Preparation of NZP-type Ca0.75+0.5xZr1.5Fe0.5(PO4)3-x(SiO4)x powders and ceramic, thermal expansion behavior

Ca0.75+0.5xZr1.5Fe0.5(PO4)3–x(SiO4)x (x = 0–0.5) solid solutions have been synthesized by a sol–gel process and characterized by X-ray diffraction, IR spectroscopy, and differential scanning calorimetry. As expected, the synthesized phosphatosilicates crystallize in a NaZr2(PO4)3-type structure (trigonal symmetry, sp. gr. R3c). The thermal expansion of the solid solutions has been studied by high-temperature Xray diffraction in the temperature range from 25 to 800°C. Their thermal expansion parameters have been calculated and analyzed as functions of composition. Highdensity ceramics based on the Ca0.875Zr1.5Fe0.5(PO4)2.75(SiO4)0.25 phosphatosilicate have been produced by spark plasma sintering and their structure and properties have been studied in detail.This work was supported by the Russian Science Foundation, project no. 16-13-10464: Advanced ceramic like mineral materials with improved and adjustable service characteristics: design, synthesis, study.Peer reviewe

Effects of processing conditions on the quality of vacuum fried cassava chips (Manihot esculenta Crantz)

[EN] Concern for the nutritional quality of chips is growing due to rising consumption, motivating research and development of new snack products that contribute to a lower calorie and fat intake in the diet while retaining their good flavor and facility of consumption. The objective of this study was to investigate the behavior of cassava chips, blanched or unblanched and processed under either atmospheric or vacuum frying conditions, in order to determine the influence of these treatments on mechanical and acoustic parameters, optical properties and oil absorption. Vacuum frying trials (17 kPa) were conducted at 120, 130 and 140 degrees C and compared with frying at atmospheric pressure (101.3 kPa) at 165 degrees C. Pre-blanching brings a considerable improvement in the color of the vacuum-treated samples and less oil absorption. Vacuum frying pre-blanched cassava chips may be an alternative to atmospheric frying since it improves the color of the samples, reduces the oil gain and maintains crispness. The treatment at 130 degrees C under vacuum conditions after pre-blanching achieved the best results. (C) 2016 Elsevier Ltd. All rights reserved.García Segovia, P.; Urbano-Ramos, AM.; Fiszman Dal Santo, S.; Martínez Monzó, J. (2016). Effects of processing conditions on the quality of vacuum fried cassava chips (Manihot esculenta Crantz). LWT - FOOD SCIENCE AND TECHNOLOGY. 69:515-521. doi:10.1016/j.lwt.2016.02.014S5155216

Perspectives on utilization of edible coatings and nano-laminate coatings for extension of postharvest storage of fruits and vegetables

It is known that in developing countries, a large quantity of fruit and vegetable losses results at postharvest and processing stages due to poor or scarce storage technology and mishandling during harvest. The use of new and innovative technologies for reducing postharvest losses is a requirement that has not been fully covered. The use of edible coatings (mainly based on biopolymers) as a postharvest technique for agricultural commodities has offered biodegradable alternatives in order to solve problems (e.g., microbiological growth) during produce storage. However, biopolymer-based coatings can present some disadvantages such as: poor mechanical properties (e.g., lipids) or poor water vapor barrier properties (e.g., polysaccharides), thus requiring the development of new alternatives to solve these drawbacks. Recently, nanotechnology has emerged as a promising tool in the food processing industry, providing new insights about postharvest technologies on produce storage. Nanotechnological approaches can contribute through the design of functional packing materials with lower amounts of bioactive ingredients, better gas and mechanical properties and with reduced impact on the sensorial qualities of the fruits and vegetables. This work reviews some of the main factors involved in postharvest losses and new technologies for extension of postharvest storage of fruits and vegetables, focused on perspective uses of edible coatings and nano-laminate coatings.María L. Flores-López thanks Mexican Science and Technology Council (CONACYT, Mexico) for PhD fellowship support (CONACYT Grant Number: 215499/310847). Miguel A. Cerqueira (SFRH/BPD/72753/2010) is recipient of a fellowship from the Fundação para a Ciência e Tecnologia (FCT, POPH-QREN and FSE Portugal). The authors also thank the FCT Strategic Project of UID/ BIO/04469/2013 unit, the project RECI/BBB-EBI/0179/2012 (FCOMP-01-0124-FEDER-027462) and the project ‘‘BioInd Biotechnology and Bioengineering for improved Industrial and AgroFood processes,’’ REF. NORTE-07-0124-FEDER-000028 Co-funded by the Programa Operacional Regional do Norte (ON.2 – O Novo Norte), QREN, FEDER. Fundação Cearense de Apoio ao Desenvolvimento Científico e Tecnológico – FUNCAP, CE Brazil (CI10080-00055.01.00/13)

TRY plant trait database – enhanced coverage and open access

Plant traits—the morphological, anatomical, physiological, biochemical and phenological characteristics of plants—determine how plants respond to environmental factors, affect other trophic levels, and influence ecosystem properties and their benefits and detriments to people. Plant trait data thus represent the basis for a vast area of research spanning from evolutionary biology, community and functional ecology, to biodiversity conservation, ecosystem and landscape management, restoration, biogeography and earth system modelling. Since its foundation in 2007, the TRY database of plant traits has grown continuously. It now provides unprecedented data coverage under an open access data policy and is the main plant trait database used by the research community worldwide. Increasingly, the TRY database also supports new frontiers of trait‐based plant research, including the identification of data gaps and the subsequent mobilization or measurement of new data. To support this development, in this article we evaluate the extent of the trait data compiled in TRY and analyse emerging patterns of data coverage and representativeness. Best species coverage is achieved for categorical traits—almost complete coverage for ‘plant growth form’. However, most traits relevant for ecology and vegetation modelling are characterized by continuous intraspecific variation and trait–environmental relationships. These traits have to be measured on individual plants in their respective environment. Despite unprecedented data coverage, we observe a humbling lack of completeness and representativeness of these continuous traits in many aspects. We, therefore, conclude that reducing data gaps and biases in the TRY database remains a key challenge and requires a coordinated approach to data mobilization and trait measurements. This can only be achieved in collaboration with other initiatives