Atomic-level characterization and cilostazol affinity of poly(lactic acid) nanoparticles conjugated with differentially charged hydrophilic molecules

Indexación: Scopus.M.F.M. acknowledges support from CONICYT-PFCHA/Doctorado Nacional/2014-21140225. M.M.M. thanks the FONCyT PICT-2015-2191, CONICET PIP 11220110100992, Secyt, Universidad Nacional de Cordoba. C.V. acknowledges support from CONICYT under FONDECYT #1161438 and BASAL Grant FB0807, MECESUP PMI-UAB1301, and H2020-MSCA-RISE-2016 #734801 MAGNAMED. The authors thank the High-Performance Computational Center (CCAD UNC) and Escuela de Ingeniería Civil en Bioinformática (Universidad de Talca) for access to supercomputers.Nanotherapeutics is a promising field for numerous diseases and represents the forefront of modern medicine. In the present work, full atomistic computer simulations were applied to study poly(lactic acid) (PLA) nanoparticles conjugated with polyethylene glycol (PEG). The formation of this complex system was simulated using the reactive polarizable force field (ReaxFF). A full picture of the morphology, charge and functional group distribution is given. We found that all terminal groups (carboxylic acid, methoxy and amino) are randomly distributed at the surface of the nanoparticles. The surface design of NPs requires that the charged groups must surround the surface region for an optimal functionalization/charge distribution, which is a key factor in determining physicochemical interactions with different biological molecules inside the organism. Another important point that was investigated was the encapsulation of drugs in these nanocarriers and the prediction of the polymer-drug interactions, which provided a better insight into structural features that could affect the effectiveness of drug loading. We employed blind docking to predict NP-drug affinity testing on an antiaggregant compound, cilostazol. The results suggest that the combination of molecular dynam ics ReaxFF simulations and blind docking techniques can be used as an explorative tool prior to experiments, which is useful for rational design of new drug delivery systems. © 2018 Matus et al.https://www.beilstein-journals.org/bjnano/articles/9/12

Adaptability and Genotype x Environment Interaction of Spring Wheat Cultivars in Chile using Regression Analysis, AMMI, and SRAG.

del Pozo, A (del Pozo, Alejandro). Univ Talca, Fac Ciencias Agr, Talca, ChileWheat (Triticum aestivum L.) genetic improvement objectives include obtaining cultivars capable of expressing their maximum potential yield and quality in diverse environments. This make necessary to know and define the environment in which a variety can express its maximum potential yield and quality. The objective of this study was to assess which method is the most efficient to study cultivars response in multiple environments. For this, we analyze the adaptability, stability, and genotype x environment (GxE) interaction effect, grain yield, sedimentation, and wet gluten content of 13 spring wheat cultivars sown in six environments in the central-south and southern zones of Chile during two seasons. The data were analyzed by regression analysis, additive main effects and multiplicative interaction (AMMI), and the sites regression (SREG) model. By this was thus established that SREG analysis is the most efficient for this type of study since, in addition to analyzing stability, adaptability, and effect (GxE), it allows identifying the best cultivar. In this case, `Pandora-INIA' stands out by exhibiting the best yield (7.38 t ha(-1)), high sedimentation (36.95 cm(3)), and wet gluten (41.54%) indices in all the environments, and this positions it as a variety having both high yield and quality

Seedling vigor variation among 80 recombinant chromosome substitution lines (RCSL) of barley (Hordeum vulgare)

del Pozo, A (del Pozo, Alejandro). Univ Talca, Fac Ciencias Agr, Talca, Chile.Seedling vigor of 80 recombinant chromosome substitution lines (RCSL) of barley (Hordeum vulgare). Cien. Inv. Agr. 38 (1): 137-147. The seedling vigor of 80 barley recombinant chromosome substitution lines (RCSLs) was measured for selecting high seedling vigor genotypes. The RCSLs were derived from a cross between H. vulgare subsp. spontaneum and H. vulgare subsp. vulgare 'Harrington'. The work was carried out under greenhouse conditions during the summer of 2008. The experimental design was an alpha lattice with 3 replicates. In each replicate, 40 plants were established, distributed in eight polyethylene pots containing sand as substrate, which were fertilized an irrigated. The emergence of seedlings, number of leaves and shoots, dry matter of leaves, shoots and roots and leaf area of fully expanded leaves were measured. In addition, growth indices were calculated: emergence rate, leaf appearance rate, relative leaf expansion rate, relative growth rate (RGR), net assimilation rate (NAR), leaf area ratio (LAR) and the allometric coefficient (K) between root and shoot thy matter. All calculated indices varied significantly among genotypes (P <= 0.05) and some RCSLs showed better early vigor associated traits than 'Harrington'. The dry matter accumulation 30 DAS (when the experiment ended) was significant and positively correlated with the RGR (r=0.61; P <= 0.05) and NAR (r=0.41; P <= 0.05). The K coefficient was negatively correlated with NAR (r=-0.40, P <= 0.05). The genotypes with the greatest seminal vigor were the RCSLs 45, 92, 112 and 'Harrington', whereas the RCSLs 5, 19,47 and 121 presented the lowest seminal vigor

Estudio de la cinética de adsorción de Cu y Hg a partir de soluciones binarias usando quitosano

pEn este trabajo se estudió la cinética de adsorción de Cu(II) y Hg(II) en quitosano a partir de una solución binaria, a diferentes concentraciones iniciales de los iones metálicos, tamaño de partículas del adsorbente y velocidad de agitación. El quitosano fue extraído por métodos químicos de caparazón de camarón. Soluciones de 1 L de Cu(II) y Hg(II) fueron puestas en contacto con 2 g de quitosano y se agitaron por un período de 8 h. Al final del proceso, las muestras fueron analizadas en un espectrómetro de absorción atómica. Los datos experimentales fueron evaluados aplicando los modelos cinéticos de pseudo-primer orden y pseudo-segundo orden. Los resultados del proceso de adsorción de los iones metálicos Cu(II) y Hg(II) con quitosano, mostraron que en la mayoría de los casos, ambos iones fueron eficazmente adsorbidos por la quitosano, obteniéndose un porcentaje de adsorción entre 44-100 % para Cu(II) y entre 95-100 % para el Hg(II). Para ambos iones, los resultados mostraron que a bajas concentraciones el proceso de adsorción se ajusta mejor al modelo de pseudo-primer orden y a concentraciones altas el modelo que mejor se ajusta a los datos experimentales es el modelo de pseudo-segundo orden; es decir, el paso limitante en la velocidad es la reacción de adsorción y no la transferencia de masa./pp /pp /ppstrongPalabras claves:/strong Caparazón de camarón; Cinética de adsorción; Modelos cinéticos; Solución binaria; Quitosano/p pDOI: a href="http://dx.doi.org/10.5377/nexo.v24i1.591"http://dx.doi.org/10.5377/nexo.v24i1.591/a/p pNexo, Vol. 24, No. 1, pp. 20-32, 2011/

A comprehensive meta-QTL analysis for yield-related traits of durum wheat (Triticum turgidum L. var. durum) grown under different water regimes

Abiotic stress strongly affects yield-related traits in durum wheat, in particular drought is one of the main environmental factors that have effect on grain yield and plant architecture. In order to obtain new genotypes well adapted to stress conditions, the highest number of desirable traits needs to be combined in the same genotype. In this context, hundreds of quantitative trait loci (QTL) have been identified for yield-related traits in different genetic backgrounds and environments. Meta-QTL (MQTL) analysis is a useful approach to combine data sets and for creating consensus positions for the QTL detected in independent studies for the reliability of their location and effects. MQTL analysis is a useful method to dissect the genetic architecture of complex traits, which provide an extensive allelic coverage, a higher mapping resolution and allow the identification of putative molecular markers useful for marker-assisted selection (MAS). In the present study, a complete and comprehensive MQTL analysis was carried out to identify genomic regions associated with grain-yield related traits in durum wheat under different water regimes. A total of 724 QTL on all 14 chromosomes (genomes A and B) were collected for the 19 yield-related traits selected, of which 468 were reported under rainfed conditions, and 256 under irrigated conditions. Out of the 590 QTL projected on the consensus map, 421 were grouped into 76 MQTL associated with yield components under both irrigated and rainfed conditions, 12 genomic regions containing stable MQTL on all chromosomes except 1A, 4A, 5A, and 6B. Candidate genes associated to MQTL were identified and an in-silico expression analysis was carried out for 15 genes selected among those that were differentially expressed under drought. These results can be used to increase durum wheat grain yields under different water regimes and to obtain new genotypes adapted to climate change

Ruthenium Oxidation in High Temperature Air and Release of Gaseous Ruthenium KFKI-3/2008

The RUSET experimental programme was launched in order to study Ru oxidation and release from fuel in high temperature air. More than forty small scale tests have been performed with mixed powder components of inactive materials and with short fuel rods. The influence of temperature, air flow rate and the presence of other fission products on the gaseous Ru release and the retention role of fuel pellets and cladding have been investigated. The test series indicated that if an air ingress type severe accident occurs most of the initial Ru mass can be released from the reactor core to the containment or environment. Some part of the released gaseous Ru undergoes precipitation and deposits on the cold surfaces, another part is released in gaseous form. The deposited Ru oxides can serve as a secondary source for further gaseous Ru releas

CODEX-B4C Experiment: Cored Degradation Test With Boron Carbide Control Rod KFKI-2003-01/G (2003)

The CODEX-B4C bundle test has been successfully performed on 25th May 2001 in the framework of the COLOSS project of the EU 5th FWP. The high temperature degradation of a VVER-1000 type bundle with B4C control rod was investigated with electrically heated fuel rods. The experiment was carried out according to a scenario selected in favour of methane formation. Degradation of control rod and fuel bundle took place at temperatures ~2000 oC, cooling down of the bundle was performed in steam atmosphere. The gas composition measurement indicated no methane production during the experiment. High release of aerosols was detected in the high temperature oxidation phase. The on-line measured data are collected into a database and are available for code validation and development

CODEX-CT-2 experiment: Long term treatment in high temperature hydrogen and water quenching of a fuel bundle KFKI-2008-02/G

The simulation of the Paks-2 incident was carried out in the frame of an experimental programme in the CODEX facility with electrically heated fuel rod bundles. The main boundary conditions for the CODEX-CT-2 were similar to the previous CODEX-CT-1 test. The most significant difference between the two tests was the operation of the air let down valve that was open in the first test and closed in the second one. In the second test the hydrogen produced in the Zr-steam reaction could not escape from the test section and it prevented the access of steam to the Zr surfaces and caused much less oxidation than was observed in the first tests. The final quench by water led to temperature excursion in the bundle and in the shroud. The final state of the bundle was very brittle, the fuel rods and the shroud were cracked and fragmented