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https://www.readbyqxmd.com/read/28108886/phase-behaviour-in-complementary-dna-coated-gold-nanoparticles-and-fd-viruses-mixtures-a-numerical-study
#1
Massimiliano Chiappini, Erika Eiser, Francesco Sciortino
A new gel-forming colloidal system based on a binary mixture of fd-viruses and gold nanoparticles functionalized with complementary DNA single strands has been recently introduced. Upon quenching below the DNA melt temperature, such a system results in a highly porous gel state, that may be developed in a new functional material of tunable porosity. In order to shed light on the gelation mechanism, we introduce a model closely mimicking the experimental one and we explore via Monte Carlo simulations its equilibrium phase diagram...
January 2017: European Physical Journal. E, Soft Matter
https://www.readbyqxmd.com/read/28108361/development-and-characterization-of-new-functionalized-polyurethanes-for-sustained-and-site-specific-drug-release-in-the-gastrointestinal-tract
#2
María Dolores Campiñez, Elena Benito, Lucía Romero-Azogil, Ángela Aguilar-de-Leyva, María de Gracia García-Martín, Juan Antonio Galbis, Isidoro Caraballo
The main objective of the present paper has been the development and study of two new biodegradable polyurethanes, PU(dithiodiethanol-DTDI) and PU[((i)Pr)Man-DTDI], to be used as sustained matrix forming excipients. Furthermore, their capacity to act as excipient for colon drug delivery systems has been evaluated. Thus, SeDeM diagrams have been obtained to investigate their suitability to be processed through a direct compression process. Matrices containing 10-30% w/w of the polymers and theophylline anhydrous as model drug have been manufactured...
January 17, 2017: European Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28107348/predicting-length-of-stay-among-patients-discharged-from-the-emergency-department-using-an-accelerated-failure-time-model
#3
Chung-Hsien Chaou, Hsiu-Hsi Chen, Shu-Hui Chang, Petrus Tang, Shin-Liang Pan, Amy Ming-Fang Yen, Te-Fa Chiu
BACKGROUND: Emergency department (ED) crowding continues to be an important health care issue in modern countries. Among the many crucial quality indicators for monitoring the throughput process, a patient's length of stay (LOS) is considered the most important one since it is both the cause and the result of ED crowding. The aim of this study is to identify and quantify the influence of different patient-related or diagnostic activities-related factors on the ED LOS of discharged patients...
2017: PloS One
https://www.readbyqxmd.com/read/28106458/nonsupersymmetric-dualities-from-mirror-symmetry
#4
Shamit Kachru, Michael Mulligan, Gonzalo Torroba, Huajia Wang
We study supersymmetry breaking perturbations of the simplest dual pair of (2+1)-dimensional N=2 supersymmetric field theories-the free chiral multiplet and N=2 super QED with a single flavor. We find dual descriptions of a phase diagram containing four distinct massive phases. The equivalence of the intervening critical theories gives rise to several nonsupersymmetric avatars of mirror symmetry: we find dualities relating scalar QED to a free fermion and Wilson-Fisher theories to both scalar and fermionic QED...
January 6, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28106448/accelerating-ab%C3%A2-initio-molecular-dynamics-and-probing-the-weak-dispersive-forces-in-dense-liquid-hydrogen
#5
Guglielmo Mazzola, Sandro Sorella
We propose an ab initio molecular dynamics method, capable of dramatically reducing the autocorrelation time required for the simulation of classical and quantum particles at finite temperatures. The method is based on an efficient implementation of a first order Langevin dynamics modified by means of a suitable, position dependent acceleration matrix S. Here, we apply this technique to both Lennard-Jones models, to demonstrate the accuracy and speeding-up of the sampling, and within a quantum Monte Carlo based wave function approach, for determining the phase diagram of high-pressure hydrogen with simulations much longer than the autocorrelation time...
January 6, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28106443/bose-einstein-condensation-of-long-lifetime-polaritons-in-thermal-equilibrium
#6
Yongbao Sun, Patrick Wen, Yoseob Yoon, Gangqiang Liu, Mark Steger, Loren N Pfeiffer, Ken West, David W Snoke, Keith A Nelson
The experimental realization of Bose-Einstein condensation (BEC) with atoms and quasiparticles has triggered wide exploration of macroscopic quantum effects. Microcavity polaritons are of particular interest because quantum phenomena such as BEC and superfluidity can be observed at elevated temperatures. However, polariton lifetimes are typically too short to permit thermal equilibration. This has led to debate about whether polariton condensation is intrinsically a nonequilibrium effect. Here we report the first unambiguous observation of BEC of optically trapped polaritons in thermal equilibrium in a high-Q microcavity, evidenced by equilibrium Bose-Einstein distributions over broad ranges of polariton densities and bath temperatures...
January 6, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28105913/mumal2-improving-sensitivity-in-shotgun-proteomics-using-cost-sensitive-artificial-neural-networks-and-a-threshold-selector-algorithm
#7
Fabio Ribeiro Cerqueira, Adilson Mendes Ricardo, Alcione de Paiva Oliveira, Armin Graber, Christian Baumgartner
BACKGROUND: This work presents a machine learning strategy to increase sensitivity in tandem mass spectrometry (MS/MS) data analysis for peptide/protein identification. MS/MS yields thousands of spectra in a single run which are then interpreted by software. Most of these computer programs use a protein database to match peptide sequences to the observed spectra. The peptide-spectrum matches (PSMs) must also be assessed by computational tools since manual evaluation is not practicable...
December 15, 2016: BMC Bioinformatics
https://www.readbyqxmd.com/read/28103994/-analysis-of-microrna-expression-profile-in-serum-of-patients-with-electrical-burn-or-thermal-burn
#8
Q F Ruan, M J Jiang, Z Q Ye, C L Zhao, W G Xie
Objective: To explore the differential expression of microRNAs in the serum among patients with electrical burn or thermal burn and healthy persons and to explore the significance. Methods: In this study we included three patients with electrical burn and three patients with thermal burn, conforming to the inclusion criteria and hospitalized in our burn ward from June to August 2015, and three healthy adult volunteers. Their serum samples were separated from whole blood and divided into electrical burn group, thermal burn group, and normal control group...
January 20, 2017: Zhonghua Shao Shang za Zhi, Zhonghua Shaoshang Zazhi, Chinese Journal of Burns
https://www.readbyqxmd.com/read/28102380/novel-high-temperature-ferroelectric-domain-morphology-in-pbtio3-ultrathin-films
#9
Jacob B J Chapman, Anna V Kimmel, Dorothy M Duffy
Exotic domain morphologies in ferroic materials are an exciting avenue for the development of novel nanoelectronics. In this work we have used large scale molecular dynamics to construct a strain-temperature phase diagram of the domain morphology of PbTiO3 ultrathin films. Sampling a wide interval of strain values over a temperature range up to the Curie temperature Tc, we found that epitaxial strain induces the formation of a variety of closure- and in-plane domain morphologies. The local strain and ferroelectric-antiferrodistortive coupling at the film surface vary for the strain mediated transition sequence and this could offer a route for experimental observation of the morphologies...
January 19, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28102312/correlations-of-charge-neutrality-level-with-electronic-structure-and-p-d-hybridization
#10
Arkaprava Das, Subodh K Gautam, D K Shukla, Fouran Singh
The formation of charge neutrality level (CNL) in highly conducting Cadmium oxide (CdO) thin films is demonstarted by the observed variation in the band gap upon annealing and doping. It may be explained by the observation that Tin (Sn) doping breaks the perfect periodicity of CdO cubic crystal structure and creates virtual gap states (ViGS). The level of local CNL resides at the branch point of ViGS, making the energy at which native defect's character changes from predominantly donor-like below CNL to predominantly acceptor-like above the CNL and a schematic band diagram is developed to substantiate the same...
January 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28101270/using-online-active-learning-techniques-to-convey-time-compensated-sun-compass-orientation-in-the-eastern-north-american-monarch
#11
Noah H Green, Douglas G McMahon, Cynthia Brame
A common tool that animals use to navigate in a constant direction is known as "time compensated sun compass orientation." This is a process by which animals use the position of the sun along with information from their internal circadian clocks to determine and maintain a directional heading. Many circadian scientists and educators use this process as an example of how the internal circadian clock can directly influence animal behavior. However, many students have difficulty grasping this biological process due to its multivariable nature...
December 2016: Journal of Microbiology & Biology Education: JMBE
https://www.readbyqxmd.com/read/28100267/a-bibliometric-analysis-of-two-decades-of-aromatherapy-research
#12
Malcolm Koo
BACKGROUND: Quantitative data are lacking on the profile of published research in aromatherapy. The objective of the study was to investigate the profile of original and review articles under the topic aromatherapy using bibliometric analysis. METHODS: Articles on aromatherapy, published between 1995 and 2014, were retrieved from the Science Citation Index-Expanded database from the Web of Science. The records extracted were analyzed for citation characteristics, including the distribution of publication years, languages, countries or regions, journals, articles, and authors using HistCite 12...
January 18, 2017: BMC Research Notes
https://www.readbyqxmd.com/read/28099023/computational-models-of-the-gastrointestinal-environment-1-the-effect-of-digestion-on-the-phase-behaviour-of-intestinal-fluids
#13
Woldeamanuel A Birru, Dallas B Warren, Stephen J Headey, Hassan Benameur, Christopher J H Porter, Colin W Pouton, David K Chalmers
Improved models of the gastrointestinal environment have great potential to assist the complex process of drug formulation. Molecular dynamics (MD) is a powerful method for investigating phase behaviour at a molecular level. In this study we use multiple MD simulations to calculate phase diagrams for bile before and after digestion. In these computational models, undigested bile is represented by mixtures of palmitoyl-oleoylphosphatidylcholine (POPC), sodium glycodeoxycholate (GDX) and water. Digested bile is modelled using a 1:1 mixture of oleic acid and palmitoylphosphatidylcholine (lyso-phosphatidylcholine, LPC), GDX and water...
January 18, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28098305/phase-behaviour-and-temperature-responsive-properties-of-a-gemini-surfactant-brij-30-water-system
#14
Chuanhong Han, Yan Guo, Xiaoxiao Chen, Meihuan Yao, Yingtian Zhang, Qirui Zhang, Xilian Wei
The phase behaviour of a ternary system composed of cationic gemini surfactant 2-hydroxypropyl-1,3-bis(myristyldimethylammonium chloride) (14-3(OH)-14(2Cl)), nonionic surfactant polyoxyethylene laurel ether (C12H25(OCH2CH2)10OH, Brij-30) and H2O was studied and its phase diagram was determined. In several different phase regions identified in the phase diagram, the viscoelastic worm-like micellar solution region was investigated. The focus of the investigation was the increase in the viscosity of the micellar solution with the temperature and the Brij-30 content, as suggested by a partial region of the triangular phase diagram...
January 18, 2017: Soft Matter
https://www.readbyqxmd.com/read/28098281/thermodynamic-stability-of-stoichiometric-lafeo3-and-bifeo3-a-hybrid-dft-study
#15
Eugene Heifets, Eugene A Kotomin, Alexander A Bagaturyants, Joachim Maier
BiFeO3 perovskite attracts great attention due to its multiferroic properties and potential use as a parent material for Bi1-xSrxFeO3-δ and Bi1-xSrxFe1-yCoyO3-δ solid solutions in intermediate temperature cathodes of oxide fuel cells. Another iron-based LaFeO3 perovskite is the end member for well-known solid solutions (La1-xSrxFe1-yCoyO3-δ) used for oxide fuel cells and other electrochemical devices. In this study an ab initio hybrid functional approach was used for the study of the thermodynamic stability of both LaFeO3 and BiFeO3 with respect to decompositions to binary oxides and to elements, as a function of temperature and oxygen pressure...
January 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28097599/biosynthesis-characterization-and-bioactivities-evaluation-of-silver-and-gold-nanoparticles-mediated-by-the-roots-of-chinese-herbal-angelica-pubescens-maxim
#16
Josua Markus, Dandan Wang, Yeon-Ju Kim, Sungeun Ahn, Ramya Mathiyalagan, Chao Wang, Deok Chun Yang
A facile synthesis and biological applications of silver (DH-AgNps) and gold nanoparticles (DH-AuNps) mediated by the aqueous extract of Angelicae Pubescentis Radix (Du Huo) are explored. Du Huo is a medicinal root belonging to Angelica pubescens Maxim which possesses anti-inflammatory, analgesic, and antioxidant properties. The absorption spectra of nanoparticles in varying root extract and metal ion concentration, pH, reaction temperatures, and time were recorded by ultraviolet-visible (UV-Vis) spectroscopy...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28097283/melting-upon-cooling-and-freezing-upon-heating-fluid-solid-phase-diagram-for-%C3%A5-vejk-ha%C3%A5-ek-model-of-dimerizing-hard-spheres
#17
Yurij V Kalyuzhnyi, Andrej Jamnik, Peter T Cummings
A simple model of dimerizing hard spheres with highly nontrivial fluid-solid phase behavior is proposed and studied using the recently proposed resummed thermodynamic perturbation theory for central force (RTPT-CF) associating potentials. The phase diagram has the fluid branch of the fluid-solid coexistence curve located at temperatures lower than those of the solid branch. This unusual behavior is related to the strong dependence of the system excluded volume on the temperature, which for the model at hand decreases with increasing temperature...
January 18, 2017: Soft Matter
https://www.readbyqxmd.com/read/28094289/analytically-determined-topological-phase-diagram-of-the-proximity-induced-gap-in-diffusive-n-terminal-josephson-junctions
#18
Morten Amundsen, Jabir Ali Ouassou, Jacob Linder
Multiterminal Josephson junctions have recently been proposed as a route to artificially mimic topological matter with the distinct advantage that its properties can be controlled via the superconducting phase difference, giving rise to Weyl points in 4-terminal geometries. A key goal is to accurately determine when the system makes a transition from a gapped to non-gapped state as a function of the phase differences in the system, the latter effectively playing the role of quasiparticle momenta in conventional topological matter...
January 17, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28093584/phase-diagram-and-superconductivity-of-compressed-zirconium-hydrides
#19
Xiao-Feng Li, Zi-Yu Hu, Bing Huang
It is known that pressure can be applied to fundamentally alter the bonding patterns between the chemical elements. By employing an unbiased structure search method based on a particle swarm optimization (PSO) methodology, the phase diagram and crystal structures of Zr-H compounds are systematically investigated at a high pressure up to 150 GPa. Interestingly, some unexpectedly stable compounds with unusual chemical and physical properties are predicted to be formed, for example, four stable and metallic species with stoichiometries of ZrH, ZrH2, ZrH3, and ZrH6 are identified for the first time...
January 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28091620/role-of-molecular-conformations-in-rubrene-polycrystalline-films-growth-from-vacuum-deposition-at-various-substrate-temperatures
#20
Ku-Yen Lin, Yan-Jun Wang, Ko-Lun Chen, Ching-Yuan Ho, Chun-Chuen Yang, Ji-Lin Shen, Kuan-Cheng Chiu
We report on the optical and structural characterization of rubrene polycrystalline films fabricated from vacuum deposition with various substrate temperatures (Tsub). Depending on Tsub, the role of twisted and planar rubrene conformational isomers on the properties of rubrene films is focused. The temperature (T)-dependent inverse optical transmission (IOT) and photoluminescence (PL) spectra were performed on these rubrene films. The origins of these IOT and PL peaks are explained in terms of the features from twisted and planar rubrene molecules and of the band characteristics from rubrene molecular solid films...
January 16, 2017: Scientific Reports
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