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https://www.readbyqxmd.com/read/28432999/effect-of-intra-oral-aging-on-t%C3%A2-m-phase-transformation-microstructure-and-mechanical-properties-of-y-tzp-dental-ceramics
#1
Luciana Meireles Miragaya, Renato Bastos Guimarães, Rodrigo Othávio de Assunção E Souza, Glauco Dos Santos Botelho, José Guilherme Antunes Guimarães, Eduardo Moreira da Silva
The aim of the present study was to evaluate the influence of intra-oral aging on the tetragonal-to-monoclinic (t→m) phase transformation of two Y-TZP dental ceramics - Lava Frame (Frame) and Lava Plus (Plus) - and determine the impact of this response on their microstructures and mechanical properties: flexural strength, Young's modulus, microhardness and fracture toughness. Standardized ceramic specimens were analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM) and atomic force microscopy (AFM)...
April 13, 2017: Journal of the Mechanical Behavior of Biomedical Materials
https://www.readbyqxmd.com/read/28432960/molecular-dynamic-simulations-on-tkx-50-rdx-cocrystal
#2
Shuling Xiong, Shusen Chen, Shaohua Jin
Dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50) is a newly synthesized energetic material with excellent comprehensive properties. Cyclotrimethylenetrinitramine (RDX) is currently one of the most widely used energetic materials in the world. TKX-50 and RDX supercell models and TKX-50/RDX cocrystal model were constructed based on their crystal cell parameters and the formation mechanism of cocrystal, respectively, then they were simulated by molecular dynamics (MD) simulations. The maximum trigger bond (NNO2) length(Lmax), binding energy (Ebind), radial distribution function (RDF), cohesive energy density(CED) and mechanical properties were simulated at different temperatures based on the simulated equilibrium structures of the models...
March 19, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28432959/molecular-dynamics-simulation-studies-of-novel-%C3%AE-lactamase-inhibitor
#3
Farhan Ul Haq, Asma Abro, Saad Raza, Klaus R Liedl, Syed Sikander Azam
New Delhi Metallo-β-Lactamase-1 (NDM-1) has drawn great attention due to its diverse antibiotic resistant activity. It can hydrolyze almost all clinically available β-lactam antibiotics. To inhibit the activity of NDM-1 a new strategy is proposed using computational methods. Molecular dynamics (MD) simulations are used to analyze the molecular interactions between selected inhibitor candidates and NDM-1 structure. The enzyme-ligand complex is subject to binding free energy calculations using MM(PB/GB)SA methods...
April 4, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28432955/the-calorimetric-properties-of-liposomes-determine-the-morphology-of-dried-droplets
#4
Jorge González-Gutiérrez, Rosendo Pérez-Isidoro, M I Pérez-Camacho, J C Ruiz-Suárez
The evaporation of liquid droplets deposited on a substrate is a very complex phenomenon. Driven by capillary and Marangoni flows, particle-particle and particle-substrate interactions, the deposits they leave are vestiges of such complexity. We study the formation of patterns during the evaporation of liposome suspension droplets deposited on a hydrophobic substrate at different temperatures. We observed that as we change the temperature of the substrate, a morphological phase transition occurs at a given temperature Tm...
April 19, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28432904/optimising-multi-frame-adf-stem-for-high-precision-atomic-resolution-strain-mapping
#5
Lewys Jones, Sigurd Wenner, Magnus Nord, Per Harald Ninive, Ole Martin Løvvik, Randi Holmestad, Peter D Nellist
Annular dark-field scanning transmission electron microscopy is a powerful tool to study crystal defects at the atomic scale but historically single slow-scanned frames have been plagued by low-frequency scanning-distortions prohibiting accurate strain mapping at atomic resolution. Recently, multi-frame acquisition approaches combined with post-processing have demonstrated significant improvements in strain precision, but the optimum number of frames to record has not been explored. Here we use a non-rigid image registration procedure before applying established strain mapping methods...
April 15, 2017: Ultramicroscopy
https://www.readbyqxmd.com/read/28432857/on-the-importance-of-intramolecular-hydrogen-bond-cooperativity-in-d-glucose-an-nmr-and-qtaim-approach
#6
John S Lomas, Laurent Joubert
The idea that hydrogen bond cooperativity is responsible for the structure and reactivity of carbohydrates is examined. Density functional theory and gauge-including atomic orbital calculations on the known conformers of the α and β anomers of D-glucopyranose in the gas phase are used to compute proton NMR chemical shifts and interatomic distances, which are taken as criteria for probing intramolecular interactions. Atom-atom interaction energies are calculated by the interacting quantum atoms approach in the framework of the quantum theory of atoms in molecules...
April 22, 2017: Magnetic Resonance in Chemistry: MRC
https://www.readbyqxmd.com/read/28432518/correlation-between-heavy-metal-exposure-and-gstm1-polymorphism-in-iranian-multiple-sclerosis-patients
#7
Mehdi Aliomrani, Mohammad A Sahraian, Hamid Shirkhanloo, Mohammad Sharifzadeh, Mohammad R Khoshayand, Mohammad H Ghahremani
Multiple sclerosis (MS) is an immune-mediated chronic inflammatory disease of the central nervous system. Various exposures to heavy metals can lead to toxicity and oxidative stress. While glutathione-S-transferases are known as oxidative stress-related genes and involved in metal biotransformation. The aim of the present study is to investigate the correlation of GSTM1 polymorphism in MS patients and the possible association with blood concentration of arsenic (As) and cadmium (Cd) as major heavy metal pollutants...
April 21, 2017: Neurological Sciences
https://www.readbyqxmd.com/read/28432507/study-of-the-potential-of-barnyard-grass-for-the-remediation-of-cd-and-pb-contaminated-soil
#8
Jianling Xu, Qiongyao Cai, Hanxi Wang, Xuejun Liu, Jing Lv, Difu Yao, Yue Lu, Wei Li, Yuanyuan Liu
In this study, the microwave digestion method was used to determine total cadmium (Cd) and lead (Pb) concentrations, the BCR method was used to determine different states of Cd and Pb, and atomic absorption spectroscopy (AAS) and inductively coupled plasma optical emission spectrometry (ICP-OES) were used to determine Cd and Pb concentrations in simulated soil and barnyard grass before and after planting barnyard grass to provide a theoretical basis for the remediation of Cd- and Pb-contaminated soil. The results showed that the bioconcentration factor changes with different Cd concentrations are relatively complex and that the removal rate increases regularly...
May 2017: Environmental Monitoring and Assessment
https://www.readbyqxmd.com/read/28432315/experimental-evidence-of-fano-resonances-in-nanomechanical-resonators
#9
Stefano Stassi, Alessandro Chiadò, Giuseppe Calafiore, Gianluca Palmara, Stefano Cabrini, Carlo Ricciardi
Fano resonance refers to an interference between localized and continuum states that was firstly reported for atomic physics and solid-state quantum devices. In recent years, Fano interference gained more and more attention for its importance in metamaterials, nanoscale photonic devices, plasmonic nanoclusters and surface-enhanced Raman scattering (SERS). Despite such interest in nano-optics, no experimental evidence of Fano interference was reported up to now for purely nanomechanical resonators, even if classical mechanical analogies were referred from a theoretical point of view...
April 21, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28432304/decreasing-temperature-enhances-the-formation-of-sixfold-hydrogen-bonded-rings-in-water-rich-water-methanol-mixtures
#10
Imre Bakó, László Pusztai, László Temleitner
The evolution of the structure of liquid water-methanol mixtures as a function of temperature has been studied by molecular dynamics simulations, with a focus on hydrogen bonding. The combination of the OPLS-AA (all atom) potential model of methanol and the widely used SPC/E water model has provided excellent agreement with measured X-ray diffraction data over the temperature range between 298 and 213 K, for mixtures with methanol molar fractions of 0.2, 0.3 and 0.4. Hydrogen bonds (HB-s) have been identified via a combined geometric/energetic, as well as via a purely geometric definition...
April 21, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28432300/entropic-uncertainty-relations-for-markovian-and-non-markovian-processes-under-a-structured-bosonic-reservoir
#11
Dong Wang, Ai-Jun Huang, Ross D Hoehn, Fei Ming, Wen-Yang Sun, Jia-Dong Shi, Liu Ye, Sabre Kais
The uncertainty relation is a fundamental limit in quantum mechanics and is of great importance to quantum information processing as it relates to quantum precision measurement. Due to interactions with the surrounding environment, a quantum system will unavoidably suffer from decoherence. Here, we investigate the dynamic behaviors of the entropic uncertainty relation of an atom-cavity interacting system under a bosonic reservoir during the crossover between Markovian and non-Markovian regimes. Specifically, we explore the dynamic behavior of the entropic uncertainty relation for a pair of incompatible observables under the reservoir-induced atomic decay effect both with and without quantum memory...
April 21, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28432281/the-role-of-non-thermal-atmospheric-pressure-biocompatible-plasma-in-the-differentiation-of-osteoblastic-precursor-cells-mc3t3-e1
#12
Ihn Han, Eun Ha Choi
Non-thermal atmospheric pressure plasma is ionized matter, composed of highly reactive species that include positive ions, negative ions, free radicals, neutral atoms, and molecules. Recent reports have suggested that non-thermal biocompatible plasma (NBP) can selectively kill a variety of cancer cells, and promote stem cell differentiation. However as of yet, the regulation of proliferation and differentiation potential of NBP has been poorly understood.Here, we investigated the effects of NBP on the osteogenic differentiation of precursor cell lines of osteoblasts, MC3T3 E1 and SaOS-2...
April 4, 2017: Oncotarget
https://www.readbyqxmd.com/read/28432020/surface-modification-of-acetaminophen-particles-by-atomic-layer-deposition
#13
Tommi O Kääriäinen, Marianna Kemell, Marko Vehkamäki, Marja-Leena Kääriäinen, Alexandra Correia, Hélder A Santos, Luis M Bimbo, Jouni Hirvonen, Pekka Hoppu, Steven M George, David C Cameron, Mikko Ritala, Markku Leskelä
Active pharmaceutical ingredients (APIs) are predominantly organic solid powders. Due to their bulk properties many APIs require processing to improve pharmaceutical formulation and manufacturing in the preparation for various drug dosage forms. Improved powder flow and protection of the APIs are often anticipated characteristics in pharmaceutical manufacturing. In this work, we have modified acetaminophen particles with atomic layer deposition (ALD) by conformal nanometer scale coatings in a one-step coating process...
April 18, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/28431467/influence-of-glycosylation-on-interfacial-properties-of-recombinant-mucins-adsorption-surface-forces-and-friction
#14
Junxue An, Chunsheng Jin, Andra Dédinaité, Jan Holgersson, Niclas G Karlsson, Per Martin Claesson
Interfacial properties of two brush-with-anchor mucins, C-P55 and C-PSLex, have been investigated at the aqueous solution/poly(methylmethacrylate) (PMMA) interface. Both are recombinant mucin-type fusion proteins, produced by fusing the glycosylated mucin part of P-selectin glycoprotein ligand-1 (PSLG-1) to the Fc part of a mouse immunoglobulin in two different cells. They are mainly expressed as dimers upon production. Analysis of the O-glycans shows that the C-PSLex mucin has the longer and more branched side chains, but C-P55 has slightly higher sialic acid content...
April 21, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28431463/enhanced-ferromagnetic-interaction-in-modulation-doped-gamnn-nanorods
#15
Yuan-Ting Lin, Paritosh Vilas Wadekar, Hsiang-Shun Kao, Yu-Jung Zheng, Quark Yung-Sung Chen, Hui-Chun Huang, Cheng-Maw Cheng, New-Jin Ho, Li-Wei Tu
In this report, ferromagnetic interactions in modulation-doped GaMnN nanorods grown on Si (111) substrate by plasma-assisted molecular beam epitaxy are investigated with the prospect of achieving a room temperature ferromagnetic semiconductor. Our results indicate the thickness of GaN layer in each GaN/MnN pair, as well as Mn-doping levels, are essential for suppressing secondary phases as well as enhancing the magnetic moment. For these optimized samples, structural analysis by high-resolution X-ray diffractometry and Raman spectroscopy verifies single-crystalline modulation-doped GaMnN nanorods with Ga sites substituted by Mn atoms...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28431461/impact-of-superparamagnetic-iron-oxide-nanoparticles-on-vocal-fold-fibroblasts-cell-behavior-and-cellular-iron-kinetics
#16
Marina Pöttler, Anna Fliedner, Eveline Schreiber, Christina Janko, Ralf Philipp Friedrich, Christopher Bohr, Michael Döllinger, Christoph Alexiou, Stephan Dürr
PURPOSE: The voice is the most important instrument of communication. Tissue defects in the vocal fold (VF) area lead to serious reduction in quality of life, but thus far, no satisfactory VF implant exists. Therefore, we aim to establish a functional VF implant in a rabbit model by magnetic tissue engineering (MTE) using superparamagnetic iron oxide nanoparticles (SPION). Hence, iron quantification over time as well as cell behavior studies upon SPION treatment are of great importance...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28431460/paramagnetic-intrinsic-defects-in-polycrystalline-large-area-2d-mos2-films-grown-on-sio2-by-mo-sulfurization
#17
A Stesmans, S Iacovo, D Chiappe, I Radu, C Huyghebaert, S De Gendt, V V Afanas'ev
A low-temperature electron spin resonance study has been carried out on large-area high-purity polycrystalline two-dimensional few monolayer (ML) 2H MoS2 films synthesized by sulfurization of Mo layers, with intent to atomically assess mobility-degrading detrimental point defects. This reveals the presence of a distinct previously unreported anisotropic defect of axial symmetry about the c-axis characterized by g // = 2.00145 and g ⊥ = 2.0027, with corresponding density (spin S = ½) ~3 × 10(12) cm(-2) for a 4 ML thick film...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28431459/direct-growth-of-al2o3-on-black-phosphorus-by-plasma-enhanced-atomic-layer-deposition
#18
B B Wu, H M Zheng, Y Q Ding, W J Liu, H L Lu, P Zhou, L Chen, Q Q Sun, S J Ding, David W Zhang
Growing high-quality and uniform dielectric on black phosphorus is challenging since it is easy to react with O2 or H2O in ambient. In this work, we have directly grown Al2O3 on BP using plasma-enhanced atomic layer deposition (PEALD). The surface roughness of BP with covered Al2O3 film can reduce significantly, which is due to the removal of oxidized bubble in BP surface by oxygen plasma. It was also found there is an interfacial layer of PO x in between amorphous Al2O3 film and crystallized BP, which is verified by both X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM) measurements...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28431391/serum-levels-of-lead-mercury-and-cadmium-in-relation-to-coronary-artery-disease-in-the-elderly-a-cross-sectional-study
#19
Sedigheh Asgary, Ahmad Movahedian, Mahtab Keshvari, Mahsa Taleghani, Amirhossein Sahebkar, Nizal Sarrafzadegan
BACKGROUND: There is a continuing attempt to identify novel factors that can predict the risk of cardiovascular disease beyond the established coronary risk factors. It has been suggested that serum levels of lead, mercury and cadmium are associated with the risk of coronary artery disease (CAD). In the present study, we aimed to evaluate serum concentrations of lead (s-Pb), mercury (s-Hg) and cadmium (s-Cd) in patients with CAD in comparison with those of healthy individuals. The correlation between serum levels of these heavy metals and lipid profile parameters was also investigated...
March 29, 2017: Chemosphere
https://www.readbyqxmd.com/read/28431090/current-status-of-the-blue-butterfly-in-fukushima-research
#20
Joji M Otaki, Wataru Taira
Adverse biological impacts of the Fukushima nuclear accident have been revealed using the pale grass blue butterfly, Zizeeria maha, since 2012, which were often considered incompatible with the conventional understanding of radiation biology. This discrepancy likely originates from different system conditions and methodologies. In this article, we first respond to comments from the United Nations Scientific Committee on the Effects of Atomic Radiation (UNSCEAR) regarding our study; "technical errors" in unit usage and mathematical models noted by UNSCEAR are not errors but reflect our research philosophy not to introduce theoretical assumptions associated with unit conversion and mathematical fit...
April 18, 2017: Journal of Heredity
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