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https://www.readbyqxmd.com/read/28817775/departure-from-a-spherically-symmetric-ground-state-in-a-system-with-a-half-filled-shell-the-case-example-of-berkelium-iv-iodate
#1
Mark A Silver, Samantha K Cary, Alejandro J Garza, Ryan E Baumbach, Alexandra A Arico, Gregory A Galmin, Kuan-Wen Chen, Jason A Johnson, Jamie C Wang, Ronald J Clark, Alexander Chemey, Teresa M Eaton, Matthew L Marsh, Kevin Seidler, Shane S Galley, Lambertus van de Burgt, Ashley L Gray, David E Hobart, Kenneth Hanson, Shelley M van Cleve, Frédéric Gendron, Jochen Autschbach, Gustavo E Scuseria, Laurent Maron, Manfred Speldrich, Paul Kögerler, Cristian Celis-Barros, Dayán Paéz-Hernandéz, Ramiro Arratia-Perez, Michael Ruf, Thomas E Albrecht-Schmitt
The reaction of 249Bk(OH)4 with iodate under hydrothermal conditions results in the formation of Bk(IO3)3 as the major product with trace amounts of Bk(IO3)4 also crystallizing from the reaction mixture. The structure of Bk(IO3)3 consists of nine-coordinate BkIII cations that are bridged by iodate anions to yield layers that are isomorphous with those found for AmIII, CfIII, and with lanthanides that possess similar ionic radii. Bk(IO3)4 was expected to adopt the same structure as M(IO3)4 (M = Ce, Np, Pu), but instead parallels the structural chemistry of the smaller ZrIV cation...
August 17, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28817279/soft-chemical-fabrication-of-iron-based-thin-film-electrocatalyst-for-water-oxidation-under-neutral-ph-and-structure-activity-tuning-by-cerium-incorporation
#2
Jony Saha, T P Radhakrishnan
Design of electrocatalysts for the fundamentally important oxygen evolution reaction can be greatly aided by systematic structure-activity tuning via composition variation. We have explored the iron-cerium system as they are the most abundant transition and rare earth metals, and also due to the mutualistic impact of their size and electronic attributes that can induce critical changes in the structure and electrochemical activity. Submicrometer thick films of a series of Fe(III)-Ce(III) phosphate(oxyhydroxide) (FeCePH) are fabricated using a soft chemical strategy involving surfactant-aided assembly, spin-coating, and mild thermal annealing...
August 17, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28817264/structural-diversities-in-heterometallic-mn-ca-cluster-chemistry-from-the-use-of-salicylhydroxamic-acid-mn-iii-4ca2-mn-ii-iii-6ca2-mn-iii-iv-8ca-and-mn-iii-8ca2-complexes-with-relevance-to-both-high-and-low-valent-states-of-the-oxygen-evolving-complex
#3
Alysha A Alaimo, Evangelia S Koumousi, Luís Cunha-Silva, Laura J McCormick, Simon J Teat, Vassilis Psycharis, Catherine P Raptopoulou, Shreya Mukherjee, Chaoran Li, Sayak Das Gupta, Albert Escuer, George Christou, Theocharis C Stamatatos
One-pot reactions between the [Mn3O(O2CPh)6(py)x](+/0) triangular precursors and either CaBr2·xH2O or CaCl2·6H2O, in the presence of salicylhydroxamic acid (shaH2), have afforded the heterometallic complexes [Mn(III)4Ca2(O2CPh)4(shi)4(H2O)3(Me2CO)] (1) and (pyH)[Mn(II)2Mn(III)4Ca2Cl2(O2CPh)7(shi)4(py)4] (2), respectively, in good yields. Further reactions but using a more flexible synthetic scheme comprising the Mn(NO3)2·4H2O/Ca(NO3)2·4H2O and Mn(O2CPh)2·2H2O/Ca(ClO4)2·4H2O "metal blends" and shaH2, in the presence of external base NEt3, led to the new complexes (NHEt3)2[Mn(III)4Mn(IV)4Ca(OEt)2(shi)10(EtOH)2] (3) and (NHEt3)4[Mn(III)8Ca2(CO3)4(shi)8] (4), respectively...
August 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28816571/effects-of-flow-changes-on-radiotracer-binding-simultaneous-measurement-of-neuroreceptor-binding-and-cerebral-blood-flow-modulation
#4
Christin Y Sander, Joseph B Mandeville, Hsiao-Ying Wey, Ciprian Catana, Jacob M Hooker, Bruce R Rosen
The potential effects of changes in blood flow on the delivery and washout of radiotracers has been an ongoing question in PET bolus injection studies. This study provides practical insight into this topic by experimentally measuring cerebral blood flow (CBF) and neuroreceptor binding using simultaneous PET/MRI. Hypercapnic challenges (7% CO2) were administered to non-human primates in order to induce controlled increases in CBF, measured with pseudo-continuous arterial spin labeling. Simultaneously, dopamine D2/D3 receptor binding of [(11)C]raclopride or [(18)F]fallypride was monitored with dynamic PET...
January 1, 2017: Journal of Cerebral Blood Flow and Metabolism
https://www.readbyqxmd.com/read/28816462/-1-h-detected-redor-with-fast-magic-angle-spinning-of-a-deuterated-protein
#5
Manali Ghosh, Chad M Rienstra
Rotational echo double resonance (REDOR) is a highly successful method for heteronuclear distance determination in biological solid-state NMR, and 1H detection methods have emerged in recent years as a powerful approach to improving sensitivity and resolution for small sample quantities by utilizing fast magic-angle spinning (>30 kHz) and deuteration strategies. In theory, involving 1H as one of the spins for measuring REDOR effects can greatly increase the distance measurement range, but few experiments of this type have been reported...
August 17, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28816324/the-generalized-maximum-hardness-principle-revisited-and-applied-to-atoms-and-molecules
#6
Wojciech Grochala
In this perspective contribution, we revisit the Maximum Hardness Principle (MHP), formulated by Pearson in 1987, and an equivalent Minimum Polarizability Principle (MPP) from Chattaraj and Parr, with particular emphasis on the cases where nuclear potential acting on electrons does not remain constant, and where substantial modifications of the nuclear geometry take place (Generalized MHP, GMHP). We first bring basic concepts related to electronic hardness, and then we present an overview of important manifestations of the GMHP for molecular systems such as (i) the tendency of two free radicals to couple, (ii) reduced reactivity of noble gases, (iii) symmetry-breaking distortions related to the Jahn-Teller effect, and/or these connected with (anti)aromatic character of certain organic molecules, (iv) enhanced reactivity of excited states, (v) high-low spin transitions, etc...
August 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28816098/global-fluctuations-of-cerebral-blood-flow-indicate-a-global-brain-network-independent-of-systemic-factors
#7
Li Zhao, David C Alsop, John A Detre, Weiying Dai
Global synchronization across specialized brain networks is a common feature of network models and in-vivo electrical measurements. Although the imaging of specialized brain networks with blood oxygenation sensitive resting state functional magnetic resonance imaging (rsfMRI) has enabled detailed study of regional networks, the study of globally correlated fluctuations with rsfMRI is confounded by spurious contributions to the global signal from systemic physiologic factors and other noise sources. Here we use an alternative rsfMRI method, arterial spin labeled perfusion MRI, to characterize global correlations and their relationship to correlations and anti-correlations between regional networks...
January 1, 2017: Journal of Cerebral Blood Flow and Metabolism
https://www.readbyqxmd.com/read/28816012/periodic-mesoporous-organosilica-films-with-a-tunable-steady-state-mesophase
#8
Murad A Redzheb, Sigrid Bernstorff, Barbara Sartori, Pascal Van Der Voort, Silvia Armini
The mesophase formation in spin-coated periodic mesoporous organosilica (PMO) films aged at a controlled ambient humidity is investigated by time-resolved grazing-incidence small-angle X-ray scattering (GISAXS). The investigation demonstrates the existence of a tunable steady state in PMO spin-coated films. Thus, a film deposited at a relative humidity of 20 % has a lamellar mesophase, whereas a subsequent increase to 70 % leads to a phase transformation resulting in a P63 /mmc space group. On the other hand, an increase of the surfactant to organosilica molar ratio of between 0...
August 16, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/28815423/backbone-and-side-chain-1-h-15-n-and-13-c-resonance-assignments-of-a-novel-staphylococcal-inhibitor-of-myeloperoxidase
#9
Nicoleta T Ploscariu, Alvaro I Herrera, Srinivas Jayanthi, Thallapuranam K Suresh Kumar, Brian V Geisbrecht, Om Prakash
The bacterium Staphylococcus aureus produces an array of anti-inflammatory molecules that prevent the innate immune system from recognizing it as a pathogen and clearing it from the host. In the acute phase of inflammation, our immune system relies on neutrophils to clear invading bacteria. Recently, novel classes of secreted proteins from S. aureus, including the Extracellular Adherence Protein (EAP) family (Stapels et al., Proc Natl Acad Sci USA 111:13187-13192, 2014) and the Staphylococcal Peroxidase Inhibitor (SPIN), (unpublished work) have been identified as highly selective inhibitors acting on Neutrophil Serine Proteases (NSPs) and myeloperoxidase (MPO) respectively...
August 16, 2017: Biomolecular NMR Assignments
https://www.readbyqxmd.com/read/28815397/detecting-and-accounting-for-multiple-sources-of-positional-variance-in-peak-list-registration-analysis-and-spin-system-grouping
#10
Andrey Smelter, Eric C Rouchka, Hunter N B Moseley
Peak lists derived from nuclear magnetic resonance (NMR) spectra are commonly used as input data for a variety of computer assisted and automated analyses. These include automated protein resonance assignment and protein structure calculation software tools. Prior to these analyses, peak lists must be aligned to each other and sets of related peaks must be grouped based on common chemical shift dimensions. Even when programs can perform peak grouping, they require the user to provide uniform match tolerances or use default values...
August 16, 2017: Journal of Biomolecular NMR
https://www.readbyqxmd.com/read/28815297/leukocyte-reduced-platelet-rich-plasma-increases-proliferation-of-tenocytes-treated-with-prednisolone-a-cell-cycle-analysis
#11
Franz Hilber, Markus Loibl, Siegmund Lang, Maximilian Kerschbaum, Gero Brockhoff, Peter Angele, Johannes Zellner, Paul Schmitz, Michael Nerlich, Michael Worlicek
INTRODUCTION: The purpose of this study was to evaluate the effect of allogenic leukocyte-reduced platelet-rich plasma on human tenocytes after treatment with prednisolone and to develop a standardization of its application for clinical practice. METHODS: A leukocyte-reduced PRP was produced using the Arthrex Double Syringe (Arthrex, Inc., Naples, FL, USA), in a modified single-spin separation method. Human tenocytes were isolated from discarded rotator cuff segments...
August 16, 2017: Archives of Orthopaedic and Trauma Surgery
https://www.readbyqxmd.com/read/28815154/spin-trapping-a-review-for-the-study-of-obesity-related-oxidative-stress-and-na-k-atpase
#12
Athar Nawab, Alexandra Nichols, Rebecca Klug, Joseph I Shapiro, Komal Sodhi
Reactive oxygen species (ROS) have gained attention with mounting evidence of their importance in cell signaling and various disease states. ROS is produced continuously as a natural by-product of normal oxygen metabolism. However, high levels ROS causes oxidative stress and damage to biomolecules. This results in loss of protein function, DNA cleavage, lipid peroxidation, or ultimately cell injury or death. Obesity has become a worldwide epidemic; studies show fat accumulation is associated with increased ROS and oxidative stress...
June 2017: Journal of Clinical & Cellular Immunology
https://www.readbyqxmd.com/read/28813600/discovery-of-enhanced-magnetoelectric-coupling-through-electric-field-control-of-two-magnon-scattering-within-distorted-nanostructures
#13
Xu Xue, Ziyao Zhou, Guohua Dong, Mengmeng Feng, Yijun Zhang, Shishun Zhao, Zhongqiang Hu, Wei Ren, Zuo-Guang Ye, Yaohua Liu, Ming Liu
Electric field control of dynamic spin interactions is promising to break through the limitation of the magnetostatic interaction based magnetoelectric (ME) effect. In this work, electric field control of the two-magnon scattering (TMS) effect excited by in-plane lattice rotation has been demonstrated in a La0.7Sr0.3MnO3 (LSMO)/Pb(Mn2/3Nb1/3)-PbTiO3 (PMN-PT) (011) multiferroic heterostructure. Compared with the conventional strain-mediated ME effect, a giant enhancement of ME effect up to 950% at the TMS critical angle is precisely determined by angular resolution of the ferromagnetic resonance (FMR) measurement...
August 18, 2017: ACS Nano
https://www.readbyqxmd.com/read/28813235/temporary-hearing-threshold-shift-in-healthy-volunteers-with-hearing-protection-caused-by-acoustic-noise-exposure-during-3-t-multisequence-mr-neuroimaging
#14
Chao Jin, Huan Li, Xianjun Li, Miaomiao Wang, Congcong Liu, Jianxin Guo, Jian Yang
Purpose To determine whether a single 51-minute exposure to acoustic noise during 3-T multisequence magnetic resonance (MR) neuroimaging could affect the hearing threshold of healthy adults with earplugs and sponge mats as hearing protection. Materials and Methods With earplugs and motion-refraining sponge mats as hearing protection, 26 healthy young adults underwent 3-T MR neuroimaging imaging that included T1-weighted three-dimensional gradient-echo sequence, T2-weighted fast spin-echo sequence, diffusion-tensor imaging, diffusion-kurtosis imaging, T2*-weighted three-dimensional multiecho gradient-echo sequence, and blood oxygen level-dependent imaging...
August 16, 2017: Radiology
https://www.readbyqxmd.com/read/28813160/a-strain-driven-antiferroelectric-to-ferroelectric-phase-transition-in-la-doped-bifeo3-thin-films-on-si
#15
Deyang Chen, Christopher T Nelson, Xiaohong Zhu, Claudy R Serrao, James D Clarkson, Zhe Wang, Ya Gao, Shang-Lin Hsu, Liv R Dedon, Zuhuang Chen, Di Yi, Heng-Jui Liu, Dechang Zeng, Ying-Hao Chu, Jian Liu, Darrell G Schlom, Ramamoorthy Ramesh
A strain-driven orthorhombic (O) to rhombohedral (R) phase transition is reported in La-doped BiFeO3 thin films on silicon substrates. Biaxial compressive epitaxial strain is found to stabilize the rhombohedral phase at La concentrations beyond the morphotropic phase boundary (MPB). By tailoring the residual strain with film thickness, we demonstrate a mixed O/R phase structure consisting of O phase domains measuring tens of nanometers wide within a predominant R phase matrix. A combination of piezoresponse force microscopy (PFM), transmission electron microscopy (TEM), polarization-electric field hysteresis loop (P-E loop), and polarization maps reveal that the O-R structural change is an antiferroelectric to ferroelectric (AFE-FE) phase transition...
August 17, 2017: Nano Letters
https://www.readbyqxmd.com/read/28812903/synergic-on-off-photoswitching-spin-state-and-magnetic-coupling-between-spin-crossover-centers
#16
Jun-Li Wang, Qiang Liu, Yin-Shan Meng, Hui Zheng, Hai-Lang Zhu, Quan Shi, Tao Liu
The existence of a correlation between spin crossover and dielectric properties is a hot topic in the field of multiresponse materials, which has potential applications in the memory devices, switches, and sensors. One formidable challenge is the simultaneous and rapid on/off switching of spin states of the spin carriers and magnetic coupling between them, which is crucial for both reversible photomagnetic behavior and variations in dielectric properties. Here, we report a dinuclear Fe(II) spin crossover complex, wherein each Fe(II) center exhibits an interconversion between Fe(II)HS (HS = high-spin) and Fe(II)LS (LS = low-spin) achieved upon heating and cooling...
August 16, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28812886/room-temperature-ring-opening-of-quinoline-isoquinoline-and-pyridine-with-low-valent-titanium
#17
Seung-Yeol Baek, Takashi Kurogi, Dahye Kang, Masahiro Kamitani, Seongyeon Kwon, Douglas Solowey, Chun-Hsing Chen, Maren Pink, Patrick J Carroll, Daniel J Mindiola, Mu-Hyun Baik
The complex (PNP)Ti=CHtBu(CH2tBu) (PNP = N[2-PiPr2-4-methylphenyl]2-) dehydrogenates cyclohexane to cyclohexene by forming a transient low-valent titanium-alkyl species, [(PNP)Ti(CH2tBu)], which reacts with two equivalents of quinoline (Q) at room temperature to form H3CtBu and a Ti(IV) species where the less hindered C2=N1 bond of Q is ruptured and coupled to another equivalent of Q. The product isolated from this reaction is an imide with a tethered cycloamide group, (PNP)Ti=N[C18H13N] (1). Under photolytic conditions, intramolecular C-H bond activation across the imide-moiety in 1 occurs to form 2, and thermolysis reverses this process...
August 16, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28812544/photoelectric-response-properties-under-uv-red-light-irradiation-of-zno-nanorod-arrays-coated-with-vertically-aligned-mos2-nanosheets
#18
Yuzhu Zhang, Jianping Xu, Shaobo Shi, Yanyan Gao, Xiangguo Zhao, Chengtai Wei, Xiaosong Zhang, Lan Li
MoS2 with layered structure and distinct physical properties has attracted attention for electronic or optoelectronic devices. The photoelectric response properties of MoS2/ZnO heterojunctions based devices fabricated by spin-coating MoS2 nanosheets solutions on ZnO nanorod arrays (NRs) were investigated. The results revealed that MoS2 nanosheets were vertically aligned on the surface of ZnO NRs and the devices exhibit good photoresponse stability and reproducibility under UV and red light illuminations. The vertically aligned MoS2 nanosheets facilitate the fast photogenerated carrier separation and transport...
August 16, 2017: Nanotechnology
https://www.readbyqxmd.com/read/28812351/structural-investigation-of-cesium-lead-halide-perovskites-for-high-efficiency-quantum-dot-light-emitting-diodes
#19
Quyet Van Le, Jong Beom Kim, Soo Young Kim, Byeongdu Lee, Dong Ryeol Lee
In this study, we have intensively investigated the effect of the reaction temperature of hot-injection method on the structural properties of CsPbX3 (X: Br, I, Cl) perovskite nanocrystals (NCs) using the small- and wide-angle X-ray scattering. Furthermore, light emitting diodes (LEDs) performance as well as photoluminescence characteristics for high-efficient LEDs is compared with reaction temperature. It is confirmed that the size of the NCs decreased as the reaction temperature decreased, resulting stronger quantum confinement...
August 16, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28812348/inhibition-of-heterogeneous-ice-nucleation-by-bioinspired-coatings-of-polyampholytes
#20
Zhiyuan He, Liuchun Zheng, Zhenqi Liu, Shenglin Jin, Chuncheng Li, Jianjun Wang
Controlling of heterogeneous ice nucleation (HIN) on foreign surfaces is of great importance for anti-ice nucleation material design. In this work, we studied the HIN behaviors on various ion-modified poly(butylene succinate) (PBS) surfaces via chain-extension reaction. Inspired by antifreeze proteins (AFPs), the PBS-based polyampholytes, containing both negative and positive charge groups on a single chain, show excellent performance of ice nucleation inhibition and freezing delay. Unlike the extremely high price and low availability of AFPs, these PBS-based polyampholytes can be commercially synthesized under mild reaction conditions...
August 16, 2017: ACS Applied Materials & Interfaces
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