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https://www.readbyqxmd.com/read/28535348/coarse-grained-modeling-of-polyethylene-melts-effect-on-dynamics
#1
Brandon L Peters, K Michael Salerno, Anupriya Agrawal, Dvora Perahia, Gary S Grest
The distinctive viscoelastic behavior of polymers results from a coupled interplay of motion on multiple length and time scales. Capturing the broad time and length scales of polymer motion remains a challenge. Using polyethylene (PE) as a model macromolecule, we construct coarse-grained (CG) models of PE with 3-6 methyl groups per CG bead and probe two critical aspects of the technique: pressure corrections required after iterative Boltzmann inversion (IBI) to generate CG potentials that match the pressure of reference fully-atomistic melt simulations and the transferability of CG potentials across temperatures...
May 23, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28534827/optimizing-prednisolone-loading-into-distiller-s-dried-grain-kafirin-microparticles-and-in-vitro-release-for-oral-delivery
#2
Esther T L Lau, Stuart K Johnson, Barbara A Williams, Deirdre Mikkelsen, Elizabeth McCourt, Roger A Stanley, Ram Mereddy, Peter J Halley, Kathryn J Steadman
Kafirin microparticles have potential as colon-targeted delivery systems because of their ability to protect encapsulated material from digestive processes of the upper gastrointestinal tract (GIT). The aim was to optimize prednisolone loading into kafirin microparticles, and investigate their potential as an oral delivery system. Response surface methodology (RSM) was used to predict the optimal formulation of prednisolone loaded microparticles. Prednisolone release from the microparticles was measured in simulated conditions of the GIT...
May 19, 2017: Pharmaceutics
https://www.readbyqxmd.com/read/28534399/self-assembly-of-organic-ferroelectrics-by-evaporative-dewetting-a-case-of-%C3%AE-glycine
#3
Ensieh Seyedhosseini, Konstantin Romanyuk, Daria Vasileva, Semen Vasilev, Alla Nuraeva, Pavel Zelenovskiy, Maxim S Ivanov, Anna N Morozovska, Vladimir Ya Shur, Haidong Lu, Alexei Gruverman, Andrei Leonidovitch Kholkin
Self-assembly of ferroelectric materials attracts significant interest because it offers a promising fabrication route to novel structures useful for microelectronic devices such as non-volatile memories, integrated sensors/actuators, or energy harvesters. In this work, we demonstrate a novel approach for self-assembly of organic ferroelectrics (as exemplified by ferroelectric β-glycine) using evaporative dewetting, which allows forming quasi-regular arrays of nano- and microislands with preferred orientation of polarization axes...
May 23, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28534179/spines-vs-microspines-an-overview-of-the-sculpture-exine-in-selected-basal-and-derived-asteraceae-with-focus-on-asteroideae
#4
María C Tellería
This study presents a detailed examination of the echinate and microechinate sculpturing in relation to the size of pollen grains in 31 selected species of Asteraceae belonging to the subfamilies Barnadesioideae, Mutisioideae, Carduoideae and Asteroideae. The aims were to recognize sculpturing patterns, under LM and SEM, within large and small pollen of both basal and derived species and to explore the features that could have taxonomic value to apply in palynological disciplines. The detailed examination of the exine surface showed both the relevance and limits of sculptural patterns for taxonomy...
May 22, 2017: Journal of Plant Research
https://www.readbyqxmd.com/read/28533895/effects-of-nitrogen-and-tiller-type-on-grain-yield-and-physiological-responses-in-rice
#5
Yang Wang, Jianwei Lu, Tao Ren, Saddam Hussain, Chen Guo, Sen Wang, Rihuan Cong, Xiaokun Li
The increasing food demands from an expanding population necessitate global efforts to increase crop production and ensure food security. The rate of nitrogen (N) fertilizer application is strongly related to crop yield. However, although the application of N fertilizer significantly increases the number of tillers in rice, late emerging tillers usually produce lower yields compared with early emerging tillers. Understanding the physiological constraints of late emerging rice tillers is critical for further increasing rice grain yields...
March 2017: AoB Plants
https://www.readbyqxmd.com/read/28533786/high-density-linkage-map-construction-and-mapping-of-yield-trait-qtls-in-maize-zea-mays-using-the-genotyping-by-sequencing-gbs-technology
#6
Chengfu Su, Wei Wang, Shunliang Gong, Jinghui Zuo, Shujiang Li, Shizhong Xu
Increasing grain yield is the ultimate goal for maize breeding. High resolution quantitative trait loci (QTL) mapping can help us understand the molecular basis of phenotypic variation of yield and thus facilitate marker assisted breeding. The aim of this study is to use genotyping-by-sequencing (GBS) for large-scale SNP discovery and simultaneous genotyping of all F2 individuals from a cross between two varieties of maize that are in clear contrast in yield and related traits. A set of 199 F2 progeny derived from the cross of varieties SG-5 and SG-7 were generated and genotyped by GBS...
2017: Frontiers in Plant Science
https://www.readbyqxmd.com/read/28533335/rapid-cycling-genomic-selection-in-a-multi-parental-tropical-maize-population
#7
Xuecai Zhang, Paulino Pérez-Rodríguez, Juan Burgueño, Michael Olsen, Edward Buckler, Gary Atlin, Boddupalli M Prasanna, Mateo Vargas, Félix San Vicente, José Crossa
Genomic selection (GS) increases genetic gain by reducing the length of the selection cycle, as has been exemplified in maize using rapid cycling recombination of bi-parental populations. However, no results of GS applied to maize multi-parental populations have been reported so far. This study is the first to show realized genetic gains of rapid cycling genomic selection (RCGS) for four recombination cycles in a multi-parental tropical maize population. Eighteen elite tropical maize lines were intercrossed twice and self-pollinated once to form the cycle 0 (C0) training population...
May 22, 2017: G3: Genes—Genomes—Genetics
https://www.readbyqxmd.com/read/28532903/trace-metal-pollution-assessment-in-the-surface-sediments-of-nearshore-area-off-calicut-southwest-coast-of-india
#8
Reji Srinivas, R Shynu, M K Sreeraj, K K Ramachandran
Metal concentrations (Al, Cr, Ni, Cu, Zn, and Pb), grain size, and total organic carbon content in 29 surface sediment samples from the nearshore area off Calicut were analyzed to determine their distribution and pollution status. Surface sediments were dominantly silts with low percentage of clay and sand at nearshore and offshore areas. The mean metal concentrations were in the following order: Cr>Ni>Zn>Pb>Cu. The enrichment factor and geo-accumulation index of metals suggest that the surface sediments were not polluted by Zn and moderately polluted by Cu and Ni...
May 19, 2017: Marine Pollution Bulletin
https://www.readbyqxmd.com/read/28532148/gluten-free-sources-of-fermentable-extract-effect-of-temperature-and-germination-time-on-quality-attributes-of-teff-eragrostis-tef-zucc-trotter-malt-and-wort
#9
Lidia Di Ghionno, Eung Gwan Lee, Ombretta Marconi, Christopher J Rice, Valeria Sileoni, Giuseppe Perretti
This study was conducted to evaluate the behavior of a white teff variety called Witkop during malting by using different parameters (germination temperature and duration) and to identify the best malting program. Samples were evaluated for standard quality malt and wort attributes, pasting characteristics, β-glucan and arabinoxylan content and sugar profile. It was concluded that malting teff at 24°C for 6 days produced acceptable malt in terms of quality attributes and sugar profile for brewing. The main attributes were: 80...
May 22, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28532130/effect-of-systematic-control-of-pd-thickness-and-annealing-temperature-on-the-fabrication-and-evolution-of-palladium-nanostructures-on-si-111-via-the-solid-state-dewetting
#10
Sundar Kunwar, Puran Pandey, Mao Sui, Quanzhen Zhang, Ming-Yu Li, Jihoon Lee
Si-based optoelectronic devices embedded with metallic nanoparticles (NPs) have demonstrated the NP shape, size, spacing, and crystallinity dependent on light absorption and emission induced by the localized surface plasmon resonance. In this work, we demonstrate various sizes and configurations of palladium (Pd) nanostructures on Si (111) by the systematic thermal annealing with the variation of Pd thickness and annealing temperature. The evolution of Pd nanostructures are systematically controlled by the dewetting of thin film by means of the surface diffusion in conjunction with the surface and interface energy minimization and Volmer-Weber growth model...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28532081/the-hot-deformation-behavior-and-microstructure-evolution-of-ha-mg-3zn-0-8zr-composites-for-biomedical-application
#11
Debao Liu, Yichi Liu, Yue Zhao, Y Huang, Minfang Chen
The hot deformation behavior of nano-sized hydroxylapatite (HA) reinforced Mg-3Zn-0.8Zr composites were performed by means of Gleeble-1500D thermal simulation machine in a temperature range of 523-673K and a strain rate range of 0.001-1s(-1), and the microstructure evolution during hot compression deformation were also investigated. The results show that the flow stress increases increasing strain rates at a constant temperature, and decreases with increasing deforming temperatures at a constant strain rate...
August 1, 2017: Materials Science & Engineering. C, Materials for Biological Applications
https://www.readbyqxmd.com/read/28531993/fabrication-mechanical-properties-and-in-vitro-degradation-behavior-of-newly-developed-znag-alloys-for-degradable-implant-applications
#12
M Sikora-Jasinska, E Mostaed, A Mostaed, R Beanland, D Mantovani, M Vedani
Zn and Zn-based alloys have been recognized as highly promising biodegradable materials for orthopedic implants and cardiovascular stents, due to their proved biocompatibility and, more importantly, lower corrosion rates compared to Mg alloys. However, pure Zn has poor mechanical properties. In this study, Ag is used as a promising alloying element to improve the mechanical properties of the Zn matrix as well as its biocompatibility and antibacterial properties. Accordingly, we design three ZnAg alloys with Ag content ranging from 2...
August 1, 2017: Materials Science & Engineering. C, Materials for Biological Applications
https://www.readbyqxmd.com/read/28531965/does-arbuscular-mycorrhizal-fungus-affect-cadmium-uptake-and-chemical-forms-in-rice-at-different-growth-stages
#13
Na Luo, Xing Li, Ao Yu Chen, Li Jun Zhang, Hai Ming Zhao, Lei Xiang, Quan Ying Cai, Ce Hui Mo, Ming Hung Wong, Hui Li
Effects of the arbuscular mycorrhizal fungus (AMF) - Rhizophagus intraradices (a mix of root pieces, mycelium pieces and spores) on the temporal variation of Cd uptake and chemical forms in rice at four growth periods (tillering, jointing, flowering, and ripening stages) were investigated in soil added with 0, 2 and 10mgCdkg(-1). Results showed that the interactions amongst rice growth stages, soil Cd concentrations and mycorrhizal inoculation had significant effects (P˂0.001) on root biomass, straw and root Cd concentrations, and straw Cd chemical forms in rice...
May 18, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28531805/troxerutin-txn-potentiated-5-fluorouracil-5-fu-treatment-of-human-gastric-cancer-through-suppressing-stat3-nf-%C3%AE%C2%BAb-and-bcl-2-signaling-pathways
#14
Gui-Yun Xu, Xiao-Jun Tang
Gastric cancer still presents a significant problem for public health worldwide. Troxerutin (TXN), a flavonoid present in tea, coffee, cereal grains, and a variety of fruits and vegetables, exhibits various pharmacological and biological activities in vitro and in vivo. We investigated the ability of TXN to reverse the in vitro and in vivo drug resistance of human gastric cancer cells, which were resistant to treatment of 5-Fluorouracil (5-FU). 5-Fu is a pyrimidine analog, which is widely used in the treatment of cancers...
May 19, 2017: Biomedicine & Pharmacotherapy, Biomédecine & Pharmacothérapie
https://www.readbyqxmd.com/read/28531558/accumulation-translocation-and-conversion-of-six-arsenic-species-in-rice-plants-grown-near-a-mine-impacted-city
#15
Li Ma, Lin Wang, Yuyu Jia, Zhaoguang Yang
Paddy rice (Oryza sativa L.) as the staple food in China was found to be efficient in accumulating arsenic (As) due to cultivated in flooded paddy soil. Uptake and translocation of As in rice plant depended on the As species. In this work, rice plant samples including roots, straws and grains as well as rhizosphere soils were collected from paddy fields near Changsha, a mine impacted city in Southern China. The total As concentrations in the collected samples were observed in the descending order as root > soil > straw > grain...
May 17, 2017: Chemosphere
https://www.readbyqxmd.com/read/28530835/on-the-formation-of-epitaxially-connected-quantum-dot-solids-nucleation-and-coherent-phase-transition
#16
Kevin Whitham, Tobias Hanrath
The formation of epitaxially connected quantum dot solids involves a complex interplay of interfacial assembly, surface chemistry, and irreversible directed attachment. We describe the basic mechanism in context of a coherent phase transition with distinct nucleation and propagation steps. The proposed mechanism explains how defects in the pre-assembled structure influence nucleation and how basic geometric relationships govern the transformation from hexagonal assemblies of isolated dots to interconnected solids with square symmetry...
May 22, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28530813/enhanced-sampling-of-phase-transitions-in-coarse-grained-lipid-bilayers
#17
David N Stelter, Tom Keyes
Freezing and melting of dipalmitoylphosphatidylcholine (DPPC) bilayers are simulated in both the explicit (Wet) and implicit solvent (Dry) coarse-grained MARTINI force fields with enhanced sampling, via the isobaric, molecular dynamics version of the generalized replica exchange method (gREM). Phase transitions are described with the entropic viewpoint, based upon the statistical temperature as a function of enthalpy, TS(H) = 1/(dS(H)/dH), where S is the configurational entropy. Bilayer thickness, area per lipid, and the second-rank order parameter (P2) are calculated vs temperature in the transition range...
May 22, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28530677/whole-genome-resequencing-of-292-pigeonpea-accessions-identifies-genomic-regions-associated-with-domestication-and-agronomic-traits
#18
Rajeev K Varshney, Rachit K Saxena, Hari D Upadhyaya, Aamir W Khan, Yue Yu, Changhoon Kim, Abhishek Rathore, Dongseon Kim, Jihun Kim, Shaun An, Vinay Kumar, Ghanta Anuradha, Kalinati Narasimhan Yamini, Wei Zhang, Sonnappa Muniswamy, Jong-So Kim, R Varma Penmetsa, Eric von Wettberg, Swapan K Datta
Pigeonpea (Cajanus cajan), a tropical grain legume with low input requirements, is expected to continue to have an important role in supplying food and nutritional security in developing countries in Asia, Africa and the tropical Americas. From whole-genome resequencing of 292 Cajanus accessions encompassing breeding lines, landraces and wild species, we characterize genome-wide variation. On the basis of a scan for selective sweeps, we find several genomic regions that were likely targets of domestication and breeding...
May 22, 2017: Nature Genetics
https://www.readbyqxmd.com/read/28530606/effects-of-chemical-composition-and-baking-on-in-vitro-digestibility-of-proteins-in-breads-made-from-selected-gluten-containing-and-gluten-free-flours
#19
Tong Wu, Cheryl Taylor, Thomas Nebl, Ken Ng, Louise E Bennett
Breads prepared from cereal grains are a dietary staple, providing a significant proportion of daily energy, but not necessarily of dietary protein. However, good digestibility of proteins in bread is important to avoid potential immunogenic effects of undigested peptides, including for those gluten-intolerant. Four gluten-containing (white wheat, wholemeal wheat, spelt and rye) and four gluten-free (chick pea, lupin, buckwheat, amaranth) flours were used to make yeast-leavened breads standardized for protein...
October 15, 2017: Food Chemistry
https://www.readbyqxmd.com/read/28530602/bioactive-compound-and-antioxidant-activity-distribution-in-roller-milled-and-pearled-fractions-of-conventional-and-pigmented-wheat-varieties
#20
Debora Giordano, Monica Locatelli, Fabiano Travaglia, Matteo Bordiga, Amedeo Reyneri, Jean Daniel Coïsson, Massimo Blandino
In this study, the chemical composition of pigmented wheats (yellow, purple and blue types), and the distribution of the bioactive compounds in their roller-milled and pearled fractions, were compared with conventional wheats (red and white types). Roller-milling promoted the recovery of total dietary fiber, β-glucans, phenolic acids and anthocyanins in the bran fraction, which resulted also in a higher total antioxidant activity than the refined flour. Conversely, lutein resulted mainly concentrated in the refined flour...
October 15, 2017: Food Chemistry
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