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https://www.readbyqxmd.com/read/28647831/alterations-in-regional-homogeneity-of-resting-state-brain-activity-in-fatigue-of-parkinson-s-disease
#1
Junyi Li, Yongsheng Yuan, Min Wang, Jiejin Zhang, Li Zhang, Siming Jiang, Jian Ding, Kezhong Zhang
Fatigue is a common complaint in patients with Parkinson's disease (PD). However, the neural bases of fatigue in PD remain uncertain. In this cross-sectional study, our aim was to study the change of the local brain function in PD patients with fatigue. Among 49 patients with PD, 17 of them had fatigue and the remaining 32 patients without fatigue, and 25 age- and gender-matched healthy controls were enrolled. All subjects were evaluated with Fatigue Severity Scale (FSS) and had a resting-state functional magnetic resonance imaging (rs-fMRI) scan...
June 24, 2017: Journal of Neural Transmission
https://www.readbyqxmd.com/read/28647756/role-of-coronal-high-resolution-diffusion-weighted-imaging-in-acute-optic-neuritis-a-comparison-with-axial-orientation
#2
Ping Lu, Yan Sha, Hailin Wan, Feng Wang, Guohong Tian
PURPOSE: Through a comparison with the axial orientation, we aimed to evaluate the role of coronal high-resolution diffusion-weighted imaging (DWI) in acute optic neuritis based on diagnostic accuracy and the reproducibility of apparent diffusion coefficient (ADC) measurements. METHODS: Orbital DWI, using readout-segmented, parallel imaging, and 2D navigator-based reacquisition (RESOLVE-DWI), was performed on 49 patients with acute vision loss. The coronal (thickness = 3 mm) and axial (thickness = 2 mm) diffusion images were evaluated by two neuroradiologists retrospectively...
June 24, 2017: Neuroradiology
https://www.readbyqxmd.com/read/28647309/optic-nerve-metastasis-caused-by-lung-adenocarcinoma
#3
F Hernández Pardines, J C Molina Martín, L Fernández Montalvo, A Juárez Marroquí
INTRODUCTION: Isolated optic nerve metastases are extremely uncommon. Many cases are associated with involvement from locations such as the choroid, orbit, or central nervous system. Optic nerve metastases often have their origin in primary tumours of the breast, lung, and stomach, in adults. CASE REPORT: The case is presented of a 57 year-old woman with a diagnosis of lung adenocarcinoma. Her first complaint was a sudden loss of visual acuity in her right eye. The diagnosis of optic nerve metastases was made based on her history, and the results of the MRI scan...
June 21, 2017: Archivos de la Sociedad Española de Oftalmología
https://www.readbyqxmd.com/read/28646868/comprehensive-benchmarking-of-markov-chain-monte-carlo-methods-for-dynamical-systems
#4
Benjamin Ballnus, Sabine Hug, Kathrin Hatz, Linus Görlitz, Jan Hasenauer, Fabian J Theis
BACKGROUND: In quantitative biology, mathematical models are used to describe and analyze biological processes. The parameters of these models are usually unknown and need to be estimated from experimental data using statistical methods. In particular, Markov chain Monte Carlo (MCMC) methods have become increasingly popular as they allow for a rigorous analysis of parameter and prediction uncertainties without the need for assuming parameter identifiability or removing non-identifiable parameters...
June 24, 2017: BMC Systems Biology
https://www.readbyqxmd.com/read/28646192/effect-of-h2o-adsorption-on-negative-differential-conductance-behavior-of-single-junction
#5
Zong-Liang Li, Xiao-Hua Yi, Ran Liu, Jun-Jie Bi, Huan-Yan Fu, Guang-Ping Zhang, Yu-Zhi Song, Chuan-Kui Wang
Large negative differential conductance (NDC) at lower bias regime is a very desirable functional property for single molecular device. Due to the non-conjugated segment separating two conjugated branches, the single thiolated arylethynylene molecule with 9,10-dihydroanthracene core (denoted as TADHA) presents excellent NDC behavior in lower bias regime. Based on the ab initio calculation and non-equilibrium Green's function formalism, the NDC behavior of TADHA molecular device and the H2O-molecule-adsorption effects are studied systematically...
June 23, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28646153/giant-rashba-effect-at-the-topological-surface-of-prge-revealing-antiferromagnetic-spintronics
#6
Soma Banik, Pranab Kumar Das, Azzedine Bendounan, Ivana Vobornik, A Arya, Nathan Beaulieu, Jun Fujii, A Thamizhavel, P U Sastry, A K Sinha, D M Phase, S K Deb
Rashba spin-orbit splitting in the magnetic materials opens up a new perspective in the field of spintronics. Here, we report a giant Rashba spin-orbit splitting on the PrGe [010] surface in the paramagnetic phase with Rashba coefficient α R  = 5 eVÅ. We find that α R can be tuned in this system as a function of temperature at different magnetic phases. Rashba type spin polarized surface states originates due to the strong hybridization between Pr 4f states with the conduction electrons. Significant changes observed in the spin polarized surface states across the magnetic transitions are due to the competition between Dzyaloshinsky-Moriya interaction and exchange interaction present in this system...
June 23, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28644655/formation-of-vacancies-in-si-and-ge-based-clathrates-role-of-electron-localization-and-symmetry-breaking
#7
Amrita Bhattacharya, Christian Carbogno, Bodo Böhme, Michael Baitinger, Yuri Grin, Matthias Scheffler
The formation of framework vacancies in Si- and Ge-based type-I clathrates is studied using density-functional theory as a function of filling the cages with K and Ba atoms. Our analysis reveals the relevance of structural disorder, geometric relaxation, and electronic saturation as well as vibrational and configurational entropy. In the Si clathrates, we find that vacancies are unstable, but very differently, in Ge clathrates, up to three vacancies per unit cell can be stabilized. This contrasting behavior is largely driven by the different energy gain on populating the electronic vacancy states, which originates from the different degree of localization of the valence orbitals of Si and Ge...
June 9, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28644641/emergent-weyl-fermion-excitations-in-tap-explored-by-181-ta-quadrupole-resonance
#8
H Yasuoka, T Kubo, Y Kishimoto, D Kasinathan, M Schmidt, B Yan, Y Zhang, H Tou, C Felser, A P Mackenzie, M Baenitz
The ^{181}Ta quadrupole resonance [nuclear quadrupole resonance (NQR)] technique is utilized to investigate the microscopic magnetic properties of the Weyl semimetal TaP. We find three zero-field NQR signals associated with the transition between the quadrupole split levels for Ta with I=7/2 nuclear spin. A quadrupole coupling constant, ν_{Q}=19.250  MHz, and an asymmetric parameter of the electric field gradient, η=0.423, are extracted, in good agreement with band structure calculations. In order to examine the magnetic excitations, the temperature dependence of the spin-lattice relaxation rate (1/T_{1}T) is measured for the f_{2} line (±5/2↔±3/2 transition)...
June 9, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28644619/long-bonding-in-hngcn-nc-ng-noble-gas-molecules-an-nbo-nrt-investigation
#9
Guiqiu Zhang, Shengnan Zhang, De-Zhan Chen
Recently, Weinhold et al. put forward one new concept of σ̂-type long-bonding and applied it to the comprehension of halogen noble-gas hydrides HNgY (Ng = noble gas; Y = halogen) bonding. The present study extends this new concept into HNgX (X = CN, NC) pseudo-halogen molecules. At the B3LYP and CCSD(T) levels of theory, we perform Natural Bond Orbital (NBO) and Natural Resonance Theory (NRT) studies on the HNgX molecules and compare it with the previous results of HNgY molecules. The NBO/NRT results clearly reveal that each of the HNgX, but not the HHeCN, HNeCN and HNeNC molecules, is composed of three leading resonance structures: two ω-bonding structures H-Ng(+) :X(-), H:(-) Ng(+)-X and one long-bonded structure H^X...
June 23, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28644612/suppressing-isomerization-of-phosphine-protected-au9-cluster-by-bond-stiffening-induced-by-a-single-pd-atom-substitution
#10
Seiji Yamazoe, Shota Matsuo, Satoru Muramatsu, Shinjiro Takano, Kiyofumi Nitta, Tatsuya Tsukuda
The fluxional nature of small gold clusters has been exemplified by reversible isomerization between [Au9(PPh3)8](3+) with a crown motif (Au9(C)) and that with a butterfly motif (Au9(B)) induced by association and dissociation with compact counteranions (NO3(-), Cl(-)). However, structural isomerization was suppressed by substitution of the central Au atom of the Au9 core in [Au9(PPh3)8](3+) with a Pd atom: [PdAu8(PPh3)8](2+) with a crown motif (PdAu8(C)) did not isomerize to that with a butterfly motif (PdAu8(B)) upon association with the counteranions...
June 23, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28644474/%C3%AF-electron-s%C3%A2-%C3%A2-%C3%A2-quantum-spin-liquid-state-in-an-ionic-polyaromatic-hydrocarbon
#11
Yasuhiro Takabayashi, Melita Menelaou, Hiroyuki Tamura, Nayuta Takemori, Takashi Koretsune, Aleš Štefančič, Gyöngyi Klupp, A Johan C Buurma, Yusuke Nomura, Ryotaro Arita, Denis Arčon, Matthew J Rosseinsky, Kosmas Prassides
Molecular solids with cooperative electronic properties based purely on π electrons from carbon atoms offer a fertile ground in the search for exotic states of matter, including unconventional superconductivity and quantum magnetism. The field was ignited by reports of high-temperature superconductivity in materials obtained by the reaction of alkali metals with polyaromatic hydrocarbons, such as phenanthrene and picene, but the composition and structure of any compound in this family remained unknown. Here we isolate the binary caesium salts of phenanthrene, Cs(C14H10) and Cs2(C14H10), to show that they are multiorbital strongly correlated Mott insulators...
July 2017: Nature Chemistry
https://www.readbyqxmd.com/read/28644136/chemotherapy-alone-is-an-alternative-treatment-in-treating-localized-primary-ocular-adnexal-lymphomas
#12
Wei-Li Ma, Ming Yao, Shu-Lang Liao, Jih-Luh Tang, Yao-Ching Wang, Sung-Hsin Kuo, Ann-Lii Cheng
This study investigated the treatment efficacy and long-term adverse effects of various treatment modalities for primary ocular adnexal lymphomas (POALs). We retrospectively reviewed 107 patients who received first-line chemotherapy, radiotherapy, and other treatment modalities from 1990 to 2015. Nighty-three (87%) patients were diagnosed with mucosa-associated lymphoid tissue (MALT) lymphoma, with the orbit being the most common site (49 patients, 46%). Among 91 patients with stage I-IIE1 disease, 26 underwent chemotherapy, 34 underwent radiotherapy, and 31 received other treatment modalities...
June 15, 2017: Oncotarget
https://www.readbyqxmd.com/read/28643835/interaction-of-molecular-nitrogen-with-free-electron-laser-radiation
#13
H I B Banks, D A Little, J Tennyson, A Emmanouilidou
We compute molecular continuum orbitals in the single center expansion scheme. We then employ these orbitals to obtain molecular Auger rates and single-photon ionization cross sections to study the interaction of N2 with Free-Electron-Laser (FEL) pulses. The nuclei are kept fixed. We formulate rate equations for the energetically allowed molecular and atomic transitions and we account for dissociation through additional terms in the rate equations. Solving these equations for different parameters of the FEL pulse, allows us to identify the most efficient parameters of the FEL pulse for obtaining the highest contribution of double core hole states (DCH) in the final atomic ion fragments...
June 23, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28643780/voltage-controlled-interfacial-magnetism-through-platinum-orbits
#14
Shinji Miwa, Motohiro Suzuki, Masahito Tsujikawa, Kensho Matsuda, Takayuki Nozaki, Kazuhito Tanaka, Takuya Tsukahara, Kohei Nawaoka, Minori Goto, Yoshinori Kotani, Tadakatsu Ohkubo, Frédéric Bonell, Eiiti Tamura, Kazuhiro Hono, Tetsuya Nakamura, Masafumi Shirai, Shinji Yuasa, Yoshishige Suzuki
Electric fields at interfaces exhibit useful phenomena, such as switching functions in transistors, through electron accumulations and/or electric dipole inductions. We find one potentially unique situation in a metal-dielectric interface in which the electric field is atomically inhomogeneous because of the strong electrostatic screening effect in metals. Such electric fields enable us to access electric quadrupoles of the electron shell. Here we show, by synchrotron X-ray absorption spectroscopy, electric field induction of magnetic dipole moments in a platinum monatomic layer placed on ferromagnetic iron...
June 23, 2017: Nature Communications
https://www.readbyqxmd.com/read/28643722/endogenous-endophthalmitis-caused-by-cryptococcus-neoformans-var-gattii-mimicking-choroidal-tumor-from-positron-emission-tomography-computed-tomography-to-histopathology
#15
Chun-Ju Lin, Wen-Lu Chen, Jane-Ming Lin, Peng-Tai Tien, Yi-Yu Tsai
A 60-year-old immunocompetent female with pneumonia history about 10 years ago suffered from blurred vision overall survival for 3 weeks. Common cold with headache and unintentional body weight loss was also noted recently. Choroidal detachment simulating choroidal tumor was observed in the temporal quadrant. The 18F-fluoro-2-deoxyglucose (FDG) positron-emission tomography/computed tomography (CT) scan showed focal, mild to moderate FDG uptake in the left lateral orbit, and an enhanced lesion was seen on the recent CT scan...
June 2017: Indian Journal of Ophthalmology
https://www.readbyqxmd.com/read/28643706/orbital-retinoblastoma-an-update
#16
REVIEW
Santosh G Honavar, Fairooz P Manjandavida, Vijay Anand P Reddy
Orbital extension is a major cause of death in children with retinoblastoma in the developing countries. Delayed detection and inappropriate management contribute to poor outcome. Conventional treatment including primary orbital exenteration or chemotherapy or radiotherapy alone result in mortality as high as 70%. The recent understanding on the role of sequential multimodal therapy with a combination of high-dose chemotherapy, followed by appropriate surgery, radiotherapy, and additional adjuvant chemotherapy has helped dramatically improve life salvage...
June 2017: Indian Journal of Ophthalmology
https://www.readbyqxmd.com/read/28643505/a-case-of-igg4-related-pseudotumor-affecting-ethmoid-orbit-and-anterior-skull-base
#17
Davide Soloperto, Cristoforo Fabbris, Flavia DI Maro, Daniele Marchioni
No abstract text is available yet for this article.
June 22, 2017: Journal of Neurosurgical Sciences
https://www.readbyqxmd.com/read/28643352/cesium-s-off-the-map-valence-orbital
#18
Maarten Goesten, Martin Rahm, Matthias Bickelhaupt, Emiel Hensen
The Td-symmetric [CsO4]+ ion, featuring Cs in an oxidation state of 9, is computed to be a minimum. Cs uses outer core 5s and 5p orbitals to bind the oxygens. The valence Cs 6s orbital lies too high to be involved in bonding, and contributes to Rydberg levels only. From a Molecular Orbital perspective, the bonding scheme reminds of XeO4: an octet of electrons to bind electronegative ligands, and no low-lying acceptor orbitals on the central atom. In this sense, Cs+ resembles hypervalent Xe.
June 22, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28642944/magnetic-circular-dichroism-of-ucl6-in-the-ligand-to-metal-charge-transfer-spectral-region
#19
Frédéric Gendron, Valerie E Fleischauer, Thomas J Duignan, Brian L Scott, Matthias W Löble, Samantha K Cary, Stosh A Kozimor, Hélène Bolvin, Michael L Neidig, Jochen Autschbach
We present a combined ab initio theoretical and experimental study of the magnetic circular dichroism (MCD) spectrum of the octahedral UCl6(-) complex ion in the UV-Vis spectral region. The ground state is an orbitally non-degenerate doublet E5/2u and the MCD is a -term spectrum caused by spin-orbit coupling. Calculations of the electronic spectrum at various levels of theory indicate that differential dynamic electron correlation has a strong influence on the energies of the dipole-allowed transitions and the envelope of the MCD spectrum...
June 23, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28642615/the-bethe-slater-curve-revisited-new-insights-from-electronic-structure-theory
#20
R Cardias, A Szilva, A Bergman, I Di Marco, M I Katsnelson, A I Lichtenstein, L Nordström, A B Klautau, O Eriksson, Y O Kvashnin
The Bethe-Slater (BS) curve describes the relation between the exchange coupling and interatomic distance. Based on a simple argument of orbital overlaps, it successfully predicts the transition from antiferromagnetism to ferromagnetism, when traversing the 3d series. In a previous article [Phys. Rev. Lett. 116, 217202 (2016)] we reported that the dominant nearestneighbour (NN) interaction for 3d metals in the bcc structure indeed follows the BS curve, but the trends through the series showed a richer underlying physics than was initially assumed...
June 22, 2017: Scientific Reports
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