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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/28803910/a-measure-to-quantify-the-degree-of-cooperativity-in-overall-titration-curves
#2
Johannes W R Martini
In the framework of the grand canonical ensemble, different definitions of cooperativity commonly used in the context of ligand binding are not equivalent. A unifying definition is the existence of non-real roots of the binding polynomial. Using this qualitative criterion, an open question is how to quantify the degree of cooperativity. In this work, we introduce a theoretical measure to quantify the degree of cooperativity of a titriation curve. Its definition is based on a minimal energy approach mapping a given binding polynomial to the minimal interaction energy which is required to generate it...
August 10, 2017: Journal of Theoretical Biology
https://www.readbyqxmd.com/read/28796192/computational-studies-on-acetylcholinesterases
#3
REVIEW
Yechun Xu, Shanmei Cheng, Joel L Sussman, Israel Silman, Hualiang Jiang
Functions of biomolecules, in particular enzymes, are usually modulated by structural fluctuations. This is especially the case in a gated diffusion-controlled reaction catalyzed by an enzyme such as acetylcholinesterase. The catalytic triad of acetylcholinesterase is located at the bottom of a long and narrow gorge, but it catalyzes the extremely rapid hydrolysis of the neurotransmitter, acetylcholine, with a reaction rate close to the diffusion-controlled limit. Computational modeling and simulation have produced considerable advances in exploring the dynamical and conformational properties of biomolecules, not only aiding in interpreting the experimental data, but also providing insights into the internal motions of the biomolecule at the atomic level...
August 10, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28770364/inter-study-and-inter-individual-consistency-and-variability-of-eeg-erp-microstate-sequences-in-referential-word-production
#4
Marina Laganaro
Periods of stable global electric field at scalp unfolding during a cognitive task can be linked to brain processes and are therefore well suited to investigate simultaneously qualitative and quantitative differences across conditions or populations of interest. The electrophysiological event-related (ERP) spatio-temporal dynamic has been repetitively investigated in referential word production, but the different designs, settings and analyses do not allow to conclude on the reliability of the microstate sequences across studies and individuals...
August 2, 2017: Brain Topography
https://www.readbyqxmd.com/read/28745340/toward-a-quantitative-description-of-microscopic-pathway-heterogeneity-in-protein-folding
#5
Soundhararajan Gopi, Animesh Singh, Swaathiratna Suresh, Suvadip Paul, Sayan Ranu, Athi N Naganathan
How many structurally different microscopic routes are accessible to a protein molecule while folding? This has been a challenging question to address experimentally as single-molecule studies are constrained by the limited number of observed folding events while ensemble measurements, by definition, report only an average and not the distribution of the quantity under study. Atomistic simulations, on the other hand, are restricted by sampling and the inability to reproduce thermodynamic observables directly...
August 9, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28742116/sutureless-microvascular-anastomosis-assisted-by-an-expandable-shape-memory-alloy-stent
#6
Noriko Saegusa, Shunji Sarukawa, Kunihiro Ohta, Kensuke Takamatsu, Mitsuhiro Watanabe, Takashi Sugino, Masahiro Nakagawa, Yasuto Akiyama, Masatoshi Kusuhara, Kazuo Kishi, Keita Inoue
Vascular anastomosis is the highlight of cardiovascular, transplant, and reconstructive surgery, which has long been performed by hand using a needle and suture. However, anastomotic thrombosis occurs in approximately 0.5-10% of cases, which can cause serious complications. To improve the surgical outcomes, attempts to develop devices for vascular anastomosis have been made, but they have had limitations in handling, cost, patency rate, and strength at the anastomotic site. Recently, indwelling metal stents have been greatly improved with precise laser metalwork through programming technology...
2017: PloS One
https://www.readbyqxmd.com/read/28705608/the-impact-of-hearing-aids-and-age-related-hearing-loss-on-auditory-plasticity-across-three-months-an-electrical-neuroimaging-study
#7
Nathalie Giroud, Ulrike Lemke, Philip Reich, Katarina L Matthes, Martin Meyer
The present study investigates behavioral and electrophysiological auditory and cognitive-related plasticity in three groups of healthy older adults (60-77 years). Group 1 was moderately hearing-impaired, experienced hearing aid users, and fitted with new hearing aids using non-linear frequency compression (NLFC on); Group 2, also moderately hearing-impaired, used the same type of hearing aids but NLFC was switched off during the entire period of study duration (NLFC off); Group 3 represented individuals with age-appropriate hearing (NHO) as controls, who were not different in IQ, gender, or age from Group 1 and 2...
June 29, 2017: Hearing Research
https://www.readbyqxmd.com/read/28703587/ionization-and-conformational-equilibria-of-citric-acid-delocalized-proton-binding-in-solution
#8
Sergio Madurga, Miroslava Nedyalkova, Francesc Mas, Josep Lluís Garcés
The microspeciation of citric acid is studied by analyzing NMR titration data. When the site binding (SB) model, which assumes fully localized proton binding to the carboxylic groups, is used to obtain microscopic energy parameters (dissociation constants, pair and triplet interaction energies between charged carboxylate groups), contradictory results are obtained. The resulting macroscopic constants are in very good agreement with the values reported in the literature using potentiometry. However, the found pair interaction energy between the terminal carboxylates and the triplet interaction energy are physically meaningless...
July 31, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28674009/observing-a-quantum-maxwell-demon-at-work
#9
Nathanaël Cottet, Sébastien Jezouin, Landry Bretheau, Philippe Campagne-Ibarcq, Quentin Ficheux, Janet Anders, Alexia Auffèves, Rémi Azouit, Pierre Rouchon, Benjamin Huard
In apparent contradiction to the laws of thermodynamics, Maxwell's demon is able to cyclically extract work from a system in contact with a thermal bath, exploiting the information about its microstate. The resolution of this paradox required the insight that an intimate relationship exists between information and thermodynamics. Here, we realize a Maxwell demon experiment that tracks the state of each constituent in both the classical and quantum regimes. The demon is a microwave cavity that encodes quantum information about a superconducting qubit and converts information into work by powering up a propagating microwave pulse by stimulated emission...
July 18, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28673879/information-theoretical-analysis-of-resting-state-eeg-microstate-sequences-non-markovianity-non-stationarity-and-periodicities
#10
F von Wegner, E Tagliazucchi, H Laufs
We present an information-theoretical analysis of temporal dependencies in EEG microstate sequences during wakeful rest. We interpret microstate sequences as discrete stochastic processes where each state corresponds to a representative scalp potential topography. Testing low-order Markovianity of these discrete sequences directly, we find that none of the recordings fulfils the Markov property of order 0, 1 or 2. Further analyses show that the microstate transition matrix is non-stationary over time in 80% (window size 10 s), 60% (window size 20 s) and 44% (window size 40 s) of the subjects, and that transition matrices are asymmetric in 14/20 (70%) subjects...
June 30, 2017: NeuroImage
https://www.readbyqxmd.com/read/28673751/intensive-repetitive-transcranial-magnetic-stimulation-changes-eeg-microstates-in-schizophrenia-a-pilot-study
#11
Tomas Sverak, Lenka Albrechtova, Martin Lamos, Irena Rektorova, Libor Ustohal
No abstract text is available yet for this article.
June 30, 2017: Schizophrenia Research
https://www.readbyqxmd.com/read/28601250/efficacy-safety-and-risk-factors-for-failure-of-standalone-ab-interno-gelatin-microstent-implantation-versus-standalone-trabeculectomy
#12
Matthew B Schlenker, Husayn Gulamhusein, Ina Conrad-Hengerer, Alix Somers, Markus Lenzhofer, Ingeborg Stalmans, Herbert Reitsamer, Fritz H Hengerer, Iqbal Ike K Ahmed
PURPOSE: To compare the efficacy, safety, and risk factors for failure of standalone ab interno gelatin microstent implantation with mitomycin C (MMC) versus trabeculectomy with MMC. DESIGN: International, multicenter, retrospective interventional cohort study. PARTICIPANTS: Three hundred fifty-four eyes of 293 patients (185 microstent and 169 trabeculectomy) with no prior incisional surgery. METHODS: Consecutive eyes with uncontrolled glaucoma underwent microstent or trabeculectomy surgery from January 1, 2011 through July 31, 2015 at 4 academic ophthalmology centers: Toronto, Canada; Frankfurt, Germany; Salzburg, Austria; and Leuven, Belgium...
June 7, 2017: Ophthalmology
https://www.readbyqxmd.com/read/28598959/microinvasive-glaucoma-stent-migs-surgery-with-concomitant-phakoemulsification-cataract-extraction-outcomes-and-the-learning-curve
#13
Toby S Al-Mugheiry, Heidi Cate, Allan Clark, David C Broadway
PURPOSE: To evaluate learning effects with respect to outcomes of a microinvasive glaucoma stent (MIGS) inserted during cataract surgery in glaucoma patients. PATIENTS AND METHODS: Single surgeon, observational cohort study of 25 consecutive Ivantis Hydrus microstent insertions, with a minimum follow-up of 12 months. A learning curve analysis was performed by assessing hypotensive effect, adverse effects, and surgical procedure duration, with respect to consecutive case number...
July 2017: Journal of Glaucoma
https://www.readbyqxmd.com/read/28547185/prognostic-value-of-eeg-microstates-in-acute-stroke
#14
Filippo Zappasodi, Pierpaolo Croce, Alessandro Giordani, Giovanni Assenza, Nadia M Giannantoni, Paolo Profice, Giuseppe Granata, Paolo M Rossini, Franca Tecchio
Given the importance of neuronal plasticity in recovery from a stroke and the huge variability of recovery abilities in patients, we investigated neuronal activity in the acute phase to enhance information about the prognosis of recovery in the stabilized phase. We investigated the microstates in 47 patients who suffered a first-ever mono-lesional ischemic stroke in the middle cerebral artery territory and in 20 healthy control volunteers. Electroencephalographic (EEG) activity at rest with eyes closed was acquired between 2 and 10 days (T0) after ischemic attack...
May 25, 2017: Brain Topography
https://www.readbyqxmd.com/read/28528447/a-single-bout-of-endurance-exercise-modulates-eeg-microstates-temporal-features
#15
Jérôme N Spring, Miralena I Tomescu, Jérôme Barral
Electrical neuroimaging is a promising method to explore the spontaneous brain function after physical exercise. The present study aims to investigate the effect of acute physical exercise on the temporal dynamic of the resting brain activity captured by the four conventional map topographies (microstates) described in the literature, and to associate these brain changes with the post-exercise neuromuscular function. Twenty endurance-trained subjects performed a 30-min biking task at 60% of their maximal aerobic power followed by a 10 km all-out time trial...
May 20, 2017: Brain Topography
https://www.readbyqxmd.com/read/28493012/eeg-microstate-correlates-of-fluid-intelligence-and-response-to-cognitive-training
#16
Emiliano Santarnecchi, Arjun R Khanna, Christian S Musaeus, Christopher S Y Benwell, Paula Davila, Faranak Farzan, Santosh Matham, Alvaro Pascual-Leone, Mouhsin M Shafi
The neurobiological correlates of human fluid intelligence (Gf) remain elusive. Here, we demonstrate that spatiotemporal dynamics of EEG activity correlate with baseline measures of Gf and with its modulation by cognitive training. EEG dynamics were assessed in 74 healthy participants by examination of fast-changing, recurring, topographically-defined electric patterns termed "microstates", which characterize the electrophysiological activity of distributed cortical networks. We find that the frequency of appearance of specific brain topographies, spatially associated with visual (microstate B) and executive control (microstate C) networks, respectively, is inversely related to Gf scores...
May 10, 2017: Brain Topography
https://www.readbyqxmd.com/read/28489401/molecular-dynamics-markov-state-model-of-protein-ligand-binding-and-allostery-in-crib-pdz-conformational-selection-and-induced-fit
#17
Kelly M Thayer, Bharat Lakhani, David L Beveridge
Conformational selection and induced fit are well-known contributors to ligand binding and allosteric effects in proteins. Molecular dynamics (MD) simulations now enable the theoretical study of protein-ligand binding in terms of ensembles of interconverting microstates and the population shifts characteristic of "dynamical allostery." Here we investigate protein-ligand binding and allostery based on a Markov state model (MSM) with states and rates obtained from all-atom MD simulations. As an exemplary case, we consider the single domain protein par-6 PDZ with and without ligand and allosteric effector...
May 25, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28451913/eeg-microstates-during-different-phases-of-transcendental-meditation-practice
#18
Pascal L Faber, Frederick Travis, Patricia Milz, Niyazi Parim
Two phases of Transcendental Meditation (TM)-transcending and undirected mentation-were compared to each other and to task-free resting using multichannel EEG recorded from 20 TM practitioners. An EEG microstate analysis identified four classes of microstates which were labeled A, B, C and D, based on their similarity to previously published classes. For each class of microstates, mean duration, coverage and occurrence were computed. Resting and transcending differed from undirected mentation with decreased prominence of Class A and increased prominence of Class D microstates...
August 2017: Cognitive Processing
https://www.readbyqxmd.com/read/28442693/ab-interno-schlemm-s-canal-surgery
#19
Brian A Francis, Handan Akil, Benjamin B Bert
In primary open-angle glaucoma, the site of greatest resistance to aqueous outflow is thought to be the trabecular meshwork (TM) and inner wall of Schlemm's canal. Augmentation of the conventional (trabecular) outflow pathway can facilitate physiologic outflow and subsequently lower intraocular pressure. The most recent approach to enhancing the conventional outflow pathway is via an internal approach to the TM and Schlemm's canal. Ab interno Schlemm's canal surgery includes 4 novel surgical approaches: (1) removal of the TM and inner wall of Schlemm's canal by an internal approach (ab interno trabeculectomy), (2) implantation of a microstent to bypass the TM, (3) disruption of the TM and inner wall of Schlemm's canal via an internal approach (ab interno trabeculotomy), and (4) dilation of Schlemm's canal via an internal approach (ab interno canaloplasty)...
2017: Developments in Ophthalmology
https://www.readbyqxmd.com/read/28431164/low-activity-microstates-during-sleep
#20
Hiroyuki Miyawaki, Yazan N Billeh, Kamran Diba
Study Objectives: To better understand the distinct activity patterns of the brain during sleep, we observed and investigated periods of diminished oscillatory and population spiking activity lasting for seconds during non-rapid eye movement (non-REM) sleep, which we call "LOW" activity sleep. Methods: We analyzed spiking and local field potential (LFP) activity of hippocampal CA1 region alongside neocortical electroencephalogram (EEG) and electromyogram (EMG) in 19 sessions from four male Long-Evans rats (260-360 g) during natural wake/sleep across the 24-hr cycle as well as data from other brain regions obtained from http://crcns...
June 1, 2017: Sleep
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