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https://www.readbyqxmd.com/read/28722416/character-of-localization-and-microenvironment-of-the-solvatochromic-reichardt-s-betaine-dye-in-sds-and-ctab-micelles-md-simulation-study
#1
Vladimir S Farafonov, Alexander V Lebed, Nikolay O Mchedlov-Petrossyan
The problem of using the surfactant micellar aqueous solutions as reaction media centers on estimating the polarity of the micellar pseudophase. The most popular approach is the utilization of solvatochromic dyes. Among the last, the strongest ones are the dipolar pyridinium N-phenolate dyes. The complication of such approach, however, consists in the non-uniform character of the environment of the indicator fixed in the micellar pseudophase. The aim of this study is to reveal the character of localization and orientation of the standard solvatochromic pyridinium N-phenolate dye, 4-(2,4,6-triphenylpyridinium-1-yl)-2,6-diphenylphenolate, the so-called Reichardt's dye, within the micellar pseudophase of an anionic (sodium n-dodecyl sulfate, SDS) and cationic (cetyltrimethylammonium bromide, CTAB) surfactants using MD simulations...
July 19, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28721533/minimum-norm-estimation-of-motor-representations-in-navigated-tms-mappings
#2
Minna Pitkänen, Elisa Kallioniemi, Petro Julkunen, Maria Nazarova, Jaakko O Nieminen, Risto J Ilmoniemi
Navigated transcranial magnetic stimulation (nTMS) can be applied to locate and outline cortical motor representations. This may be important, e.g., when planning neurosurgery or focused nTMS therapy, or when assessing plastic changes during neurorehabilitation. Conventionally, a cortical location is considered to belong to the motor cortex if the maximum electric field (E-field) targeted there evokes a motor-evoked potential in a muscle. However, the cortex is affected by a broad E-field distribution, which tends to broaden estimates of representation areas by stimulating also the neighboring areas in addition to the maximum E-field location...
July 18, 2017: Brain Topography
https://www.readbyqxmd.com/read/28720806/heteroborospherene-clusters-nin%C3%A2-%C3%A2-%C3%A2-b40-n%C3%A2-%C3%A2-1-4-and-heteroborophene-monolayers-ni2%C3%A2-%C3%A2-%C3%A2-b14-with-planar-heptacoordinate-transition-metal-centers-in-%C3%AE-7-b7-heptagons
#3
Hai-Ru Li, Xin-Xin Tian, Xue-Mei Luo, Miao Yan, Yue-Wen Mu, Hai-Gang Lu, Si-Dian Li
With inspirations from recent discoveries of the cage-like borospherene B40 and perfectly planar Co ∈ B18(-) and based on extensive global minimum searches and first-principles theory calculations, we present herein the possibility of the novel planar Ni ∈ B18 (1), cage-like heteroborospherenes Nin ∈ B40 (n = 1-4) (2-5), and planar heteroborophenes Ni2 ∈ B14 (6, 7) which all contain planar or quasi-planar heptacoordinate transition-metal (phTM) centers in η(7)-B7 heptagons. The nearly degenerate Ni2 ∈ B14 (6) and Ni2 ∈ B14 (7) monolayers are predicted to be metallic in nature, with Ni2 ∈ B14 (6) composed of interwoven boron double chains with two phNi centers per unit cell being the precursor of cage-like Nin ∈ B40 (n = 1-4) (2-5)...
July 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28719019/initial-testing-of-a-pixelated-silicon-detector-prototype-in-proton-therapy
#4
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/28718469/characterization-of-the-thermal-thermal-oxidative-stability-of-fluorinated-graphene-with-various-structures
#5
Wenchuan Lai, Dazhou Xu, Xu Wang, Zaoming Wang, Yang Liu, Xiaojiao Zhang, Xiangyang Liu
Considering practical applications, the thermal/thermal oxidative stability of fluorinated graphene should be given sufficient attention. Herein, X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA) and Fourier transform infrared spectroscopy (FT-IR) were used to investigate in detail the differences in the thermal stabilities of two types of fluorinated samples, fluorinated graphene (FG) and fluorinated porous graphene (FPG) with various fluorine contents, respectively, as well as the reasons for these differences...
July 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28716683/trimmed-autocalibrating-k-space-estimation-based-on-structured-matrix-completion
#6
Mark Bydder, Stanislas Rapacchi, Olivier Girard, Maxime Guye, Jean-Philippe Ranjeva
PURPOSE: Parallel imaging allows the reconstruction of undersampled data from multiple coils. This provides a means to reject and regenerate corrupt data (e.g. from motion artefact). The purpose of this work is to approach this problem using the SAKE parallel imaging method. THEORY AND METHODS: Parallel imaging methods typically require calibration by fully sampling the center of k-space. This is a challenge in the presence of corrupted data, since the calibration data may be corrupted which leads to an errors-in-variables problem that cannot be solved by least squares or even iteratively reweighted least squares...
July 14, 2017: Magnetic Resonance Imaging
https://www.readbyqxmd.com/read/28715217/angular-dependence-of-strong-field-ionization-of-ch3x-x-f-cl-br-i-using-time-dependent-configuration-interaction-with-an-absorbing-potential
#7
Paul Hoerner, H Bernhard Schlegel
Methyl halides have been used to test basis set effects on simulations of strong field ionization using time dependent configuration interaction with an absorbing potential (TDCIS-CAP). Standard atom centered basis sets need to be augmented by several sets of diffuse functions on each atom so that the wavefunction in the strong field can interact with the absorbing potential used to model ionization. An absorbing basis of 3 s functions, 2 p functions, 3 d functions and 1 f function is sufficient for CH3F. Large absorbing basis sets with 4 s functions, 3 or 4 p functions, 4 or 5 d functions and 2 f functions are recommended for the heavier halogens...
July 17, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28715130/average-glandular-dose-coefficients-for-pendant-geometry-breast-ct-using-realistic-breast-phantoms
#8
Andrew M Hernandez, John M Boone
PURPOSE: To design volume-specific breast phantoms from breast CT (bCT) data sets and estimate the associated normalized mean glandular dose coefficients for breast CT using Monte Carlo methods. METHODS: A large cohort of bCT data sets (N=215) was used to evaluate breast volume into quintiles (plus the top 5%). The average radius profile was then determined for each of the six volume-specific groups and used to both fabricate physical phantoms and generate mathematical phantoms (V1-V6; "V" denotes classification by volume)...
July 17, 2017: Medical Physics
https://www.readbyqxmd.com/read/28715006/substitution-reactions-of-iron-ii-carbamoyl-thioether-complexes-related-to-mono-iron-hydrogenase
#9
Zhu-Lin Xie, Gummadi Durgaprasad, Azim K Ali, Michael J Rose
A C,N,S pincer complex has been synthesized for structural modeling of the organometallic active site of mono-[Fe] hydrogenase (HMD). The C,N,S chelate allows for systematic investigation of the substitution reactions of CO and other exogenous X/L-type ligands, as well as examination of the exact roles of the Fe-carbamoyl and {Fe(CO)2}(2+) units in stabilizing the low-spin Fe(ii) center. Reaction of the 'apo-ligand' 6-(2-(methylthio)phenyl)pyridin-2-amine ((H2N)N(py)S(Me)) with [Fe(CO)4(Br)2] affords the organometallic complex [((O[double bond, length as m-dash])C(NH)N(py)S(Me))Fe(CO)2(Br)] (1)...
July 17, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28713762/comparison-of-the-shaping-ability-of-waveone-reciprocating-files-with-or-without-glide-path-in-simulated-curved-s-shaped-root-canals
#10
Ayca Yilmaz, Enver Sedat Kucukay, Murat Istektepe, Selen Nihal Sisli, Handan Ersev, Isil Karagoz-Kucukay
OBJECTIVES: The aim was to compare the shaping ability of WaveOne reciprocating files with or without glide path in simulated curved S-shaped root canals. MATERIALS AND METHODS: Forty ISO #15, 0.02 taper, clear resin Endo Training Bloc-S blocks were studied. The simulated curved S-shaped canals were dyed using ink, preinstrumentation images were scanned, and resin blocks were prepared and divided into Group A: PathFile and WaveOne and Group B: WaveOne. All canals were postoperatively scanned...
June 2017: Journal of International Society of Preventive & Community Dentistry
https://www.readbyqxmd.com/read/28713738/three-dimensional-planning-and-reconstruction-of-the-mandible-in-children-with-craniofacial-microsomia-type-iii-using-costochondral-grafts
#11
Omri Emodi, Yair Israel, Michal Even Almos, Dror Aizenbud, John A Van Aalst, Adi Rachmiel
BACKGROUND: In craniofacial microsomia (CFM) Type III patients, autogenous costochondral grafts (CCG) are conventionally used for the reconstruction of the ramus and condyle. The aim of this study was to describe the use of CCG in children with CFM in terms of outcomes, growth patterns, and complications. MATERIALS AND METHODS: This is a retrospective study of nine, aged 4-12 years, patients with CFM Type III, who underwent reconstruction of the mandibular ramus condyle unit by CCG...
January 2017: Annals of Maxillofacial Surgery
https://www.readbyqxmd.com/read/28713589/super-resolution-imaging-in-a-multiple-layer-epid
#12
Haijian Chen, Joerg Rottmann, Stephen Sf Yip, Daniel Morf, Rony Füglistaller, Josh Star-Lack, George Zentai, Ross Berbeco
A new portal imager consisting of four vertically stacked conventional electronic portal imaging device (EPID) layers has been constructed in pursuit of improved detective quantum efficiency (DQE). We hypothesize that super-resolution (SR) imaging can also be achieved in such a system by shifting each layer laterally by half a pixel relative to the layer above. Super-resolution imaging will improve resolution and contrast-to-noise ratio (CNR) in megavoltage (MV) planar and cone beam computed tomography (MV-CBCT) applications...
April 2017: Biomedical Physics & Engineering Express
https://www.readbyqxmd.com/read/28713493/a-new-strategy-in-neurocritical-care-nurse-continuing-stroke-education-a-hybrid-simulation-pilot-study
#13
Christopher Ryan Newey, Robert Bell, Melody Burks, Premkumar Nattanmai
INTRODUCTION: High-fidelity simulation is frequently utilized in medical education. Its use in the neurosciences is limited by the inherent limitations of the manikin to simulate neurological changes. We report here the use of a hybrid simulation - a combination of lecture and high-fidelity manikin - in the education of neurosciences nurses, involved in care of neurocritical care patients. METHODS: Neurosciences nurses from at the University of Missouri, Columbia, MO, USA, which is an academic, tertiary-care medical center participated in the simulation during Spring of 2016...
May 2017: Electronic Physician
https://www.readbyqxmd.com/read/28712950/predictors-of-laparoscopic-simulation-performance-among-practicing-obstetrician-gynecologists
#14
Shyama Mathews, Michael Brodman, Debra D'Angelo, Scott Chudnoff, Peter Mcgovern, Tamara Kolev, Giti Bensinger, Santosh Mudiraj, Andreea Nemes, David Feldman, Patricia Kischak, Charles Ascher-Walsh
BACKGROUND: To determine if parameters of performance for validated laparoscopic virtual simulation tasks correlate with surgical volume and characteristics of practicing obstetricians and gynecologists. STUDY DESIGN: All gynecologists with laparoscopic privileges (n= 347) from five academic medical centers in New York City were required to complete a laparoscopic surgery simulation assessment. The physicians took a pre-simulation survey gathering physician self-reported characteristics and then performed 3 basic skills tasks (enforced peg transfer (PT), lifting & grasping (LG), and cutting (CT)) on the Surgical Science LapSim(®)virtual reality laparoscopic simulator...
July 13, 2017: American Journal of Obstetrics and Gynecology
https://www.readbyqxmd.com/read/28712686/using-touch-surgery-to-improve-surgical-education-in-low-and-middle-income-settings-a-randomized-control-trial
#15
Gisele Juru Bunogerane, Kathryn Taylor, Yihan Lin, Ainhoa Costas-Chavarri
BACKGROUND/OBJECTIVE: There is a severe surgical workforce shortage in Rwanda. Innovative educational tools must be introduced to train more residents and increase surgical capacity. Touch Surgery (TS) is a smartphone application that offers trainees the opportunity to practice operations; however, its effect is unknown in low- and middle-income countries. Our objectives were to determine the training effect of TS and its feasibility for use in surgery education in a low-resource setting...
July 13, 2017: Journal of Surgical Education
https://www.readbyqxmd.com/read/28711647/surgical-training-improves-performance-in-minimally-invasive-left-ventricular-assist-device-implantation-without-cardiopulmonary-bypass
#16
Lu-Feng Zhang, Hai-Bo Feng, Zhi-Guo Yu, Shi Jing, Feng Wan
OBJECTIVE: We introduced a live animal model for training of minimally invasive implantation of a continuous-flow left ventricular assist device (CF-LVAD) without cardiopulmonary bypass for operator's performance improvement. DESIGN: After watching a videotape of LVAD implantation on the beating heart through the cardiac apex, the surgical team performed implantation of LVADs into 5 pigs during 3 training sessions in a time series. The procedure success rate, operating time, and technical and global performances by self-evaluation and senior evaluation were compared among the sessions...
July 12, 2017: Journal of Surgical Education
https://www.readbyqxmd.com/read/28711348/impact-of-molecular-flexibility-on-the-site-energy-shift-of-chlorophylls-in-photosystem-ii
#17
Daniele Narzi, Emanuele Coccia, Marco Manzoli, Leonardo Guidoni
Light harvesting from the Sun by antenna complexes surrounding the reaction center of Photosystem II represents the first step of the natural oxygenic photosynthesis performed by plants, algae and cyanobacteria. The excitation energy derived from the sunlight is absorbed by the chlorophylls of the antenna and subsequently conveyed to the reaction center of Photosystem II through resonant energy transfer mechanisms. In the special pair of chlorophylls of the reaction center the charge separation occurs, eventually leading to the oxidation of water molecules into protons, electrons and molecular oxygen...
July 8, 2017: Biophysical Chemistry
https://www.readbyqxmd.com/read/28709976/glutathione-peroxidase-4-catalyzed-reduction-of-lipid-hydroperoxides-in-membranes-the-polar-head-of-membrane-phospholipids-binds-the-enzyme-and-addresses-the-fatty-acid-hydroperoxide-group-toward-the-redox-center
#18
Giorgio Cozza, Monica Rossetto, Valentina Bosello-Travain, Matilde Maiorino, Antonella Roveri, Stefano Toppo, Mattia Zaccarin, Lucio Zennaro, Fulvio Ursini
GPx4 is a monomeric glutathione peroxidase, unique in reducing the hydroperoxide group (-OOH) of fatty acids esterified in membrane phospholipids. This reaction inhibits lipid peroxidation and accounts for enzyme's vital role. Here we investigated the interaction of GPx4 with membrane phospholipids. A cationic surface near the GPx4 catalytic center interacts with phospholipid polar heads. Accordingly, SPR analysis indicates cardiolipin as the phospholipid with maximal affinity to GPx4. Consistent with the electrostatic nature of the interaction, KCl increases the KD...
July 12, 2017: Free Radical Biology & Medicine
https://www.readbyqxmd.com/read/28709415/assessing-anesthesiology-residents-out-of-the-operating-room-ooor-emergent-airway-management
#19
Lauryn R Rochlen, Michelle Housey, Ian Gannon, Shannon Mitchell, Deborah M Rooney, Alan R Tait, Milo Engoren
BACKGROUND: At many academic institutions, anesthesiology residents are responsible for managing emergent intubations outside of the operating room (OOOR), with complications estimated to be as high as 39%. In order to create an OOOR training curriculum, we evaluated residents' familiarity with the content and correct adherence to the American Society of Anesthesiologists' Difficult Airway Algorithm (ASA DAA). METHODS: Residents completed a pre-simulation multiple-choice survey measuring their understanding and use of the DAA...
July 15, 2017: BMC Anesthesiology
https://www.readbyqxmd.com/read/28709041/long-term-monitoring-of-atmospheric-pcdd-fs-at-mount-lulin-during-spring-season-pcdd-f-source-apportionment-through-a-simultaneous-measurement-in-southeast-asia
#20
Ngo Tuan Hung, Chueh Ting Li, Sheng Hsiang Wang, Chang-Feng Ou-Yang, Chuan-Yao Lin, Chung-Te Lee, Neng-Huei Lin, Kai Hsien Chi
A long term assessment of atmospheric polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) at Mt. Lulin, located in center of Taiwan was carried out from 2008 to 2013 (n = 81) assuming Mt. Lulin to be background area. During monitoring processes, PCDD/F samples collected in the field occasionally reached high concentration. To investigate this situation, simultaneous sample collection was carried out in Southeast Asia countries (i.e., Vietnam and Thailand) and Taiwan in 2013. The average concentration of atmospheric PCDD/Fs in biomass-burning source regions, namely Son La and Doi Ang Khang were 19...
June 29, 2017: Chemosphere
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