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https://www.readbyqxmd.com/read/28728353/estimation-of-rate-and-number-of-under-reporting-deliberate-self-poisoning-attempts-in-western-iran-2015
#1
Mehdi Moradinazar, Farid Najafi, Mohammad Reza Baneshi, Ali Akbar Haghdoost
Objectives: Rates of Deliberate Self-Poisoning (DSP) attempts are subjected to under-counting, under-reporting, and denying suicide attempts. In this study, therefore, we seek to estimate the rate of under-reported DSPs, which is the most common way of suicide attempts in Iran. Methods: Using truncated count models, we estimated rates and numbers of under-counted DSP attempts in western part of Iran in 2015. By this method, n0, namely the number of people attempted DSP, but not referring to any health care centers, was calculated through data connection...
June 15, 2017: Epidemiology and Health
https://www.readbyqxmd.com/read/28727234/kynurenine-a-tryptophan-metabolite-that-accumulates-with-age-induces-bone-loss
#2
Mona El Refaey, Meghan E McGee-Lawrence, Sadanand Fulzele, Eileen J Kennedy, Wendy B Bollag, Mohammed Elsalanty, Qing Zhong, Ke-Hong Ding, Nathaniel G Bendzunas, Xing-Ming Shi, Jianrui Xu, William D Hill, Maribeth H Johnson, Monte Hunter, Jessica L Pierce, Kanglun Yu, Mark W Hamrick, Carlos M Isales
Age-dependent bone loss occurs in humans and in several animal species, including rodents. The underlying causal mechanisms are probably multifactorial, although an age-associated increase in the generation of reactive oxygen species has been frequently implicated. We previously reported that aromatic amino acids function as antioxidants and are anabolic for bone and that they may potentially play a protective role in an aging environment. We hypothesized that upon oxidation the aromatic amino acids would not only lose their anabolic effects but also potentially become a catabolic byproduct...
July 20, 2017: Journal of Bone and Mineral Research: the Official Journal of the American Society for Bone and Mineral Research
https://www.readbyqxmd.com/read/28726901/on-the-capacitance-of-narrow-nanotubes
#3
Wolfgang Schmickler, Douglas Henderson
The storage of ions in narrow nanotubes is investigated by grand-canonical Monte Carlo simulations. The interaction between the ions is screened by the image charge on the wall of the tube, but at close distances it is still much larger than the thermal energy. Depending on the electrochemical potential imposed by the contact with an electrolyte solution, two different regimes can be distinguished at the potential of zero charge: for low values corresponding to an ionophobic pore the tube is almost empty; for high values - ionophilic pore - a one dimensional salt is formed...
July 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28726679/accuracy-of-rhenium-188-spect-ct-activity-quantification-for-applications-in-radionuclide-therapy-using-clinical-reconstruction-methods
#4
Pedro L Esquinas, Carlos F Uribe, M Gonzalez, Cristina Rodríguez-Rodríguez, Urs O Häfeli, Anna Celler
The main applications of (188)Re in radionuclide therapies include trans-arterial liver radioembolization and palliation of painful bone-metastases. In order to optimize (188)Re therapies, the accurate determination of radiation dose delivered to tumors and organs at risk is required. Single photon emission computed tomography (SPECT) can be used to perform such dosimetry calculations. However, the accuracy of dosimetry estimates strongly depends on the accuracy of activity quantification in (188)Re images...
July 20, 2017: Physics in Medicine and Biology
https://www.readbyqxmd.com/read/28726372/influence-of-relativistic-effects-on-assembled-structures-of-v-shaped-bispyridine-molecules-on-m-111-surfaces-where-m-cu-ag-au
#5
Xue Zhang, Na Li, Hao Wang, Chenyang Yuan, Gaochen Gu, Yajie Zhang, Damian Nieckarz, Pawel Szabelski, Shimin Hou, Boon K Teo, Yongfeng Wang
The self-assembly behavior of a V-shaped bispyridine, 1, 3-bi(4-pyridyl)benzene (BPyB), was studied by scanning tunneling microscopy on the (111) surfaces of Cu, Ag, and Au. BPyB molecules coordinately bonded with active Cu adatoms on Cu(111) in the form of complete polygonal rings at low coverages. On Ag(111), BPyB molecules aggregated into twodimensional islands by relatively weak intermolecular hydrogen bonds. The coexistence of hydrogen bonds and coordination interaction was observed on the BPyB-covered Au(111) substrate...
July 20, 2017: ACS Nano
https://www.readbyqxmd.com/read/28725531/computational-insights-into-materials-and-interfaces-for-capacitive-energy-storage
#6
REVIEW
Cheng Zhan, Cheng Lian, Yu Zhang, Matthew W Thompson, Yu Xie, Jianzhong Wu, Paul R C Kent, Peter T Cummings, De-En Jiang, David J Wesolowski
Supercapacitors such as electric double-layer capacitors (EDLCs) and pseudocapacitors are becoming increasingly important in the field of electrical energy storage. Theoretical study of energy storage in EDLCs focuses on solving for the electric double-layer structure in different electrode geometries and electrolyte components, which can be achieved by molecular simulations such as classical molecular dynamics (MD), classical density functional theory (classical DFT), and Monte-Carlo (MC) methods. In recent years, combining first-principles and classical simulations to investigate the carbon-based EDLCs has shed light on the importance of quantum capacitance in graphene-like 2D systems...
July 2017: Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
https://www.readbyqxmd.com/read/28724479/holocene-selection-for-variants-associated-with-general-cognitive-ability-comparing-ancient-and-modern-genomes
#7
Michael A Woodley, Shameem Younuskunju, Bipin Balan, Davide Piffer
Human populations living during the Holocene underwent considerable microevolutionary change. It has been theorized that the transition of Holocene populations into agrarianism and urbanization brought about culture-gene co-evolution that favored via directional selection genetic variants associated with higher general cognitive ability (GCA). To examine whether GCA might have risen during the Holocene, we compare a sample of 99 ancient Eurasian genomes (ranging from 4.56 to 1.21 kyr BP) with a sample of 503 modern European genomes (Fst = 0...
August 2017: Twin Research and Human Genetics: the Official Journal of the International Society for Twin Studies
https://www.readbyqxmd.com/read/28724291/a-kinetic-model-for-two-step-nucleation-of-peptide-assembly
#8
Ming-Chien Hsieh, David G Lynn, Martha A Grover
Intermediate dynamic assemblies are increasingly seen as necessary for the initial desolvation and organization of biomaterials to achieve their final crystalline order, and here we present a general peptide assembly model for two-step nucleation. The model predicts the phase transitions and equilibria between different phases by a combination of the Flory-Huggins parameter, the particle growth constant, and the binding energy to the assemblies. Monte Carlo simulations are used to demonstrate how the system evolves from pure solution phases to the final thermodynamic assembly phase via a metastable particle phase...
July 19, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28723154/interruption-of-hydrogen-bonding-networks-of-water-in-carbon-nanotubes-due-to-strong-hydration-shell-formation
#9
Yoshifumi Oya, Kenji Hata, Tomonori Ohba
We present the structures of NaCl aqueous solution in carbon nanotubes with diameters of 1, 2, and 3 nm based on an analysis performed using X-ray diffraction and canonical ensemble Monte Carlo simulations. Anomalously longer nearest-neighbor distances were observed in the electrolyte for the 1-nm-diameter carbon nanotubes; in contrast, in the 2 and 3 nm carbon nanotubes, the nearest-neighbor distances were shorter than those in the bulk electrolyte. We also observed similar properties for water in carbon nanotubes, which was expected because the main component of the electrolyte was water...
July 19, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28722734/scavenging-and-recombination-kinetics-in-radiation-chemistry
#10
Eyad H Al-Samra, Nicholas J B Green
This work describes stochastic models developed to study the competition between radical scavenging and recombination for simple model systems typical of radiation chemistry, where the reactive particles are tightly clustered and reactions are assumed fully diffusion limited. Three models are developed: a Monte Carlo random flights model with a periodic boundary condition for scavengers, Monte Carlo simulations in which the scavenging rate is calculated from the Smoluchowski theory for diffusion-limited reactions and a modification of the independent reaction times method where the scavengers close to the spur are explicitly included and the scavengers further away are treated as a continuum...
July 19, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28722399/bias-free-chemically-diverse-test-sets-from-machine-learning
#11
Ellen Swann, Michael Fernandez, Michelle L Coote, Amanda S Barnard
Current benchmarking methods in quantum chemistry rely on databases that are built using a chemist's intuition. It is not fully understood how diverse or representative these databases truly are. Multivariate statistical techniques like archetypal analysis and K-means clustering have previously been used to summarise large sets of nanoparticles however molecules are more diverse and not as easily characterised by descriptors. In this work we compare three sets of descriptors based on the one-, two- and three-dimensional structure of a molecule...
July 19, 2017: ACS Combinatorial Science
https://www.readbyqxmd.com/read/28722337/validation-of-brain-derived-signals-in-near-infrared-spectroscopy-through-multivoxel-analysis-of-concurrent-functional-magnetic-resonance-imaging
#12
Yoshiya Moriguchi, Takamasa Noda, Kosei Nakayashiki, Yohei Takata, Shiori Setoyama, Shingo Kawasaki, Yoshihiko Kunisato, Kazuo Mishima, Kazuyuki Nakagome, Takashi Hanakawa
Near-infrared spectroscopy (NIRS) is a convenient and safe brain-mapping tool. However, its inevitable confounding with hemodynamic responses outside the brain, especially in the frontotemporal head, has questioned its validity. Some researchers attempted to validate NIRS signals through concurrent measurements with functional magnetic resonance imaging (fMRI), but, counterintuitively, NIRS signals rarely correlate with local fMRI signals in NIRS channels, although both mapping techniques should measure the same hemoglobin concentration...
July 19, 2017: Human Brain Mapping
https://www.readbyqxmd.com/read/28722180/a-generic-tg-186-shielded-applicator-for-commissioning-model-based-dose-calculation-algorithms-for-high-dose-rate-192-ir-brachytherapy
#13
Yunzhi Ma, Javier Vijande, Facundo Ballester, Åsa Carlsson Tedgren, Domingo Granero, Annette Haworth, Firas Mourtada, Gabriel Paiva Fonseca, Kyveli Zourari, Panagiotis Papagiannis, Mark J Rivard, Frank André Siebert, Ron S Sloboda, Ryan Smith, Marc J P Chamberland, Rowan M Thomson, Frank Verhaegen, Luc Beaulieu
PURPOSE: A joint working group was created by the American Association of Physicists in Medicine (AAPM), the European Society for Radiotherapy and Oncology (ESTRO), and the Australasian Brachytherapy Group (ABG) with the charge, among others, to develop a set of well-defined test case plans and perform model-based dose calculation algorithms (MBDCA) dose calculations and comparisons. Its main goal is to facilitate a smooth transition from the AAPM Task Group No. 43 (TG-43) dose calculation formalism, widely being used in clinical practice for brachytherapy, to the one proposed by Task Group No...
July 19, 2017: Medical Physics
https://www.readbyqxmd.com/read/28721059/cost-effectiveness-analysis-of-dolutegravir-plus-backbone-compared-with-raltegravir-plus-backbone-darunavir-ritonavir-plus-backbone-and-efavirenz-tenofovir-emtricitabine-in-treatment-na%C3%A3-ve-and-experienced-hiv-positive-patients
#14
Umberto Restelli, Giuliano Rizzardini, Andrea Antinori, Adriano Lazzarin, Marzia Bonfanti, Paolo Bonfanti, Davide Croce
BACKGROUND: In January 2014, the European Medicines Agency issued a marketing authorization for dolutegravir (DTG), a second-generation integrase strand transfer inhibitor for HIV treatment. The study aimed at determining the incremental cost-effectiveness ratio (ICER) of the use of DTG+backbone compared with raltegravir (RAL)+backbone, darunavir (DRV)+ritonavir(r)+backbone and efavirenz/tenofovir/emtricitabine (EFV/TDF/FTC) in HIV-positive treatment-naïve patients and compared with RAL+backbone in treatment-experienced patients, from the Italian National Health Service's point of view...
2017: Therapeutics and Clinical Risk Management
https://www.readbyqxmd.com/read/28721014/determining-optimal-dosing-regimen-of-oral-administration-of-dicloxacillin-using-monte-carlo-simulation
#15
Wei Yu, Jinru Ji, Tingting Xiao, Chaoqun Ying, Jiaheng Fang, Ping Shen, Yonghong Xiao
BACKGROUND: Dicloxacillin, a semisynthetic isoxazolyl penicillin, exhibits antimicrobial activity against a wide variety of Gram-positive bacteria, as well as stability against penicillinases and low level of toxicity. The objective of this study was to obtain optimal dosing regimen of oral administration of dicloxacillin by analyzing the pharmacokinetic (PK) index in healthy volunteers and in vitro antibacterial activity by using Monte Carlo simulation. MATERIALS AND METHODS: A total of 867 clinical isolates from community-onset infections were collected from 31 secondary hospitals in People's Republic of China...
2017: Drug Design, Development and Therapy
https://www.readbyqxmd.com/read/28720773/local-structure-of-liquid-gallium-under-pressure
#16
Renfeng Li, Luhong Wang, Liangliang Li, Tony Yu, Haiyan Zhao, Karena W Chapman, Yanbin Wang, Mark L Rivers, Peter J Chupas, Ho-Kwang Mao, Haozhe Liu
In situ high energy X-ray pair distribution function (PDF) measurements, microtomography and reverse Monte Carlo simulations were used to characterize the local structure of liquid gallium up to 1.9 GPa. This pressure range includes the well-known solid-solid phase transition from Ga-I to Ga-II at low temperature. In term of previous research, the local structure of liquid gallium within this domain was suggested a mixture of two local structures, Ga I and Ga II, based on fitting experimental PDF to known crystal structure, with a controversy...
July 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28720771/plasmonically-enhanced-reflectance-of-heat-radiation-from-low-bandgap-semiconductor-microinclusions
#17
Janika Tang, Vaibhav Thakore, Tapio Ala-Nissila
Increased reflectance from the inclusion of highly scattering particles at low volume fractions in an insulating dielectric offers a promising way to reduce radiative thermal losses at high temperatures. Here, we investigate plasmonic resonance driven enhanced scattering from microinclusions of low-bandgap semiconductors (InP, Si, Ge, PbS, InAs and Te) in an insulating composite to tailor its infrared reflectance for minimizing thermal losses from radiative transfer. To this end, we compute the spectral properties of the microcomposites using Monte Carlo modeling and compare them with results from Fresnel equations...
July 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28719019/initial-testing-of-a-pixelated-silicon-detector-prototype-in-proton-therapy
#18
Andrew J Wroe, Grant McAuley, Anthony V Teran, Jeannie Wong, Marco Petasecca, Michael Lerch, James M Slater, Anatoly B Rozenfeld
As technology continues to develop, external beam radiation therapy is being employed, with increased conformity, to treat smaller targets. As this occurs, the dosimetry methods and tools employed to quantify these fields for treatment also have to evolve to provide increased spatial resolution. The team at the University of Wollongong has developed a pixelated silicon detector prototype known as the dose magnifying glass (DMG) for real-time small-field metrology. This device has been tested in photon fields and IMRT...
July 18, 2017: Journal of Applied Clinical Medical Physics
https://www.readbyqxmd.com/read/28718770/benchmarking-gate-geant4-for-sup-16-sup-o-ion-beam-therapy
#19
Andreas Franz Resch, Hermann Fuchs, Dietmar Georg
Oxygen (<sup>16</sup>O) ions are a potential alternative to carbon ions in ion beam therapy. Their enhanced linear energy transfer indicates a higher relative biological effectiveness and a reduced oxygen enhancement ratio. Due to the limited availability of <sup>16</sup>O ion beams, Monte Carlo (MC) transport codes are important research tools to investigate their potential. The purpose of this study was to validate GATE/Geant4 for <sup>16</sup>O ion beam therapy on experimental data from literature...
July 18, 2017: Physics in Medicine and Biology
https://www.readbyqxmd.com/read/28718645/fourfold-interpenetrated-mof-ni-pybz-2-as-coating-material-in-gas-chromatographic-capillary-column-for-separation
#20
Yan Zhang, Li Wang, Ru-Xin Yao, Xian-Ming Zhang
A fourfold interpenetrated diamond-like topological metal-organic framework (MOF), Ni(pybz)2 [pybz = 4-(4-pyridyl)benzoate] was successfully synthesized and fully characterized. This MOF can serve as coating material in gas chromatographic capillary column for the separation of some low boiling point essential oils. The prepared columns have good recognition ability and excellent selectivity toward a series of organic compounds, including alcohols, aldehydes, ketones, carboxylic acid, ethers, ester, and amines...
July 18, 2017: Inorganic Chemistry
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