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https://www.readbyqxmd.com/read/29148815/information-theoretic-approaches-to-atoms-in-molecules-hirshfeld-family-of-partitioning-schemes
#1
Farnaz Heidar-Zadeh, Paul Woodson Ayers, Toon Verstraelen, Ivan Vinogradov, Esteban Vöhringer-Martinez, Patrick Bultinck
Many population analysis methods are based on the precept that molecules should be built from fragments (typically atoms) that maximally resemble the isolated fragment. The resulting molecular building blocks are intuitive (because they maximally resemble well-understood systems) and transferable (because if two molecular fragments both resemble an isolated fragment, they necessarily resemble each other). Information theory is one way to measure the deviation between molecular fragments and their isolated counterparts, and one that lends itself to analysis...
November 17, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29146907/giant-magnetic-splitting-inducing-near-unity-valley-polarization-in-van-der-waals-heterostructures
#2
Philipp Nagler, Mariana V Ballottin, Anatolie A Mitioglu, Fabian Mooshammer, Nicola Paradiso, Christoph Strunk, Rupert Huber, Alexey Chernikov, Peter C M Christianen, Christian Schüller, Tobias Korn
Monolayers of semiconducting transition metal dichalcogenides exhibit intriguing fundamental physics of strongly coupled spin and valley degrees of freedom for charge carriers. While the possibility of exploiting these properties for information processing stimulated concerted research activities towards the concept of valleytronics, maintaining control over spin-valley polarization proved challenging in individual monolayers. A promising alternative route explores type II band alignment in artificial van der Waals heterostructures...
November 16, 2017: Nature Communications
https://www.readbyqxmd.com/read/29141806/marked-neutropenia-significant-but-rare-in-people-with-multiple-sclerosis-after-alemtuzumab-treatment
#3
David Baker, Gavin Giovannoni, Klaus Schmierer
BACKGROUND: Alemtuzumab is a CD52-specific monoclonal antibody that markedly depletes T and B lymphocytes and inhibits relapsing multiple sclerosis (MS). However, polymorphonuclear neutrophils also express CD52 and can be depleted by alemtuzumab, thereby potentially contributing to the infections that develop post-alemtuzumab treatment. Surprisingly, however, the degree of neutrophil depletion in MS was not included in the pivotal trial reports. METHODS: The regulatory submission of the Comparison of Alemtuzumab and Rebif® Efficacy in MS 1 and 2 trials was obtained from the European Medicines Agency through Freedom of Information...
November 2017: Multiple Sclerosis and related Disorders
https://www.readbyqxmd.com/read/29134826/cancer-patients-recommendations-for-nature-based-design-and-engagement-in-oncology-contexts-qualitative-research
#4
Sarah Blaschke, Clare C O'Callaghan, Penelope Schofield
OBJECTIVES: To explore cancer patients' recommendations for nature engagement based on their subjective nature experiences and observations in the cancer setting. The rationale was to gain practical insight for delineating relevant and translatable nature-based care and design opportunities in oncology contexts. BACKGROUND: Innovative cancer care services are needed to respond to growing demand and shifting healthcare needs. Engagement with nature has shown multiple health benefits and presents a promising opportunity for application in healthcare to improve outcomes...
January 1, 2017: HERD
https://www.readbyqxmd.com/read/29127376/genuine-multipartite-entanglement-in-the-3-photon-decay-of-positronium
#5
Beatrix C Hiesmayr, Pawel Moskal
The electron-positron annihilation into two photons is a standard technology in medicine to observe e.g. metabolic processes in human bodies. A new tomograph will provide the possibility to observe not only direct e (+) e (-) annihilations but also the 3 photons from the decay of ortho-positronium atoms formed in the body. We show in this contribution that the three-photon state with respect to polarisation degrees of freedom depends on the angles between the photons and exhibits various specific entanglement features...
November 10, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29120697/enhancing-antibody-patent-protection-using-epitope-mapping-information
#6
Xiaoxiang Deng, Ulrich Storz, Benjamin J Doranz
As the $100B therapeutic monoclonal antibody (mAb) market continues to grow, developers of therapeutic mAbs increasingly face the need to strengthen patent protection of their products and enforce their patents in courts. In view of changes in the patent law landscape, patent applications are strategically using information on the precise binding sites of their mAbs, i.e., the epitopes, to support patent novelty, non-obviousness, subject matter, and a tightened written description requirement for broad genus antibody claims...
November 9, 2017: MAbs
https://www.readbyqxmd.com/read/29118199/rapid-feedback-responses-are-flexibly-coordinated-across-arm-muscles-to-support-goal-directed-reaching
#7
Jeffrey Weiler, Paul L Gribble, J Andrew Pruszynski
A transcortical pathway helps support goal-directed reaching by processing somatosensory information to produce rapid feedback responses across multiple joints and muscles. We tested whether such feedback responses can account for changes in arm configuration and for arbitrary visuomotor transformations - two manipulations that alter how muscles at the elbow and wrist need to be coordinated to achieve task success. Participants used a planar three degree-of-freedom exoskeleton robot to move a cursor to a target following a mechanical perturbation that flexed the elbow...
November 8, 2017: Journal of Neurophysiology
https://www.readbyqxmd.com/read/29116988/healthy-eating-and-leisure-time-activity-cross-sectional-analysis-of-that-role-of-work-environments-in-the-u-s
#8
Jessica A R Williams, Mariana Arcaya, S V Subramanian
OBJECTIVE: The aim of this study was to evaluate relationships between work context and two health behaviors, healthy eating and leisure-time physical activity (LTPA), in U.S. adults. METHODS: Using data from the 2010 National Health Interview Survey (NHIS) and Occupational Information Network (N = 14,863), we estimated a regression model to predict the marginal and joint probabilities of healthy eating and adhering to recommended exercise guidelines. RESULTS: Decision-making freedom was positively related to healthy eating and both behaviors jointly...
November 2017: Journal of Occupational and Environmental Medicine
https://www.readbyqxmd.com/read/29112715/refseq-an-update-on-prokaryotic-genome-annotation-and-curation
#9
Daniel H Haft, Michael DiCuccio, Azat Badretdin, Vyacheslav Brover, Vyacheslav Chetvernin, Kathleen O'Neill, Wenjun Li, Farideh Chitsaz, Myra K Derbyshire, Noreen R Gonzales, Marc Gwadz, Fu Lu, Gabriele H Marchler, James S Song, Narmada Thanki, Roxanne A Yamashita, Chanjuan Zheng, Françoise Thibaud-Nissen, Lewis Y Geer, Aron Marchler-Bauer, Kim D Pruitt
The Reference Sequence (RefSeq) project at the National Center for Biotechnology Information (NCBI) provides annotation for over 95 000 prokaryotic genomes that meet standards for sequence quality, completeness, and freedom from contamination. Genomes are annotated by a single Prokaryotic Genome Annotation Pipeline (PGAP) to provide users with a resource that is as consistent and accurate as possible. Notable recent changes include the development of a hierarchical evidence scheme, a new focus on curating annotation evidence sources, the addition and curation of protein profile hidden Markov models (HMMs), release of an updated pipeline (PGAP-4), and comprehensive re-annotation of RefSeq prokaryotic genomes...
November 3, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29112432/force-field-parametrization-of-metal-ions-from-statistical-learning-techniques
#10
Francesco Fracchia, Gianluca Del Frate, Giordano Mancini, Walter Rocchia, Vincenzo Barone
A novel statistical procedure has been developed to optimize the parameters of non-bonded force fields of metal ions in soft matter. The criterion for the optimization is the minimization of the deviations from ab initio forces and energies calculated for model systems. The method exploits the combination of the linear ridge regression and the cross-validation techniques with the differential evolution algorithm. Wide freedom in the choice of the functional form of the force fields is allowed since both linear and non-linear parameters can be optimized...
November 7, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29108137/multi-arm-trials-with-multiple-primary-endpoints-and-missing-values
#11
Mario Hasler, Ludwig A Hothorn
We present an extension of multiple contrast tests for multiple endpoints to the case of missing values. The endpoints are assumed to be normally distributed and correlated and to have equal covariance matrices for the different treatments. Different multivariate t distributions will be applied, differing in endpoint-specific degrees of freedom. In contrast to competing methods, the familywise error type I is maintained in the strong sense in an admissible range, and the problem of different marginal errors type I is avoided...
November 6, 2017: Statistics in Medicine
https://www.readbyqxmd.com/read/29106684/frontal-lobe-epilepsy-surgery-in-childhood-and-adolescence-predictors-of-long-term-seizure-freedom-overall-cognitive-and-adaptive-functioning
#12
Georgia Ramantani, Navah Ester Kadish, Hans Mayer, Constantin Anastasopoulos, Kathrin Wagner, Gitta Reuner, Karl Strobl, Susanne Schubert-Bast, Gert Wiegand, Armin Brandt, Rudolf Korinthenberg, Irina Mader, Vera van Velthoven, Josef Zentner, Andreas Schulze-Bonhage, Thomas Bast
BACKGROUND: Although frontal lobe resections account for one-third of intralobar resections in pediatric epilepsy surgery, there is a dearth of information regarding long-term seizure freedom, overall cognitive and adaptive functioning. OBJECTIVE: To identify outcome predictors and define the appropriate timing for surgery. METHODS: We retrospectively analyzed the data of 75 consecutive patients aged 10.0 ± 4.9 yr at surgery that had an 8...
July 5, 2017: Neurosurgery
https://www.readbyqxmd.com/read/29101323/direct-observation-of-valley-polarized-topological-edge-states-in-designer-surface-plasmon-crystals
#13
Xiaoxiao Wu, Yan Meng, Jingxuan Tian, Yingzhou Huang, Hong Xiang, Dezhuan Han, Weijia Wen
The extensive research of two-dimensional layered materials has revealed that valleys, as energy extrema in momentum space, could offer a new degree of freedom for carrying information. Based on this concept, researchers have predicted valley-Hall topological insulators that could support valley-polarized edge states at non-trivial domain walls. Recently, several kinds of photonic and sonic crystals have been proposed as classical counterparts of valley-Hall topological insulators. However, direct experimental observation of valley-polarized edge states in photonic crystals has remained difficult until now...
November 3, 2017: Nature Communications
https://www.readbyqxmd.com/read/29081743/the-propagation-of-movement-variability-in-time-a-methodological-approach-for-discrete-movements-with-multiple-degrees-of-freedom
#14
Melanie Krüger, Andreas Straube, Thomas Eggert
In recent years, theory-building in motor neuroscience and our understanding of the synergistic control of the redundant human motor system has significantly profited from the emergence of a range of different mathematical approaches to analyze the structure of movement variability. Approaches such as the Uncontrolled Manifold method or the Noise-Tolerance-Covariance decomposition method allow to detect and interpret changes in movement coordination due to e.g., learning, external task constraints or disease, by analyzing the structure of within-subject, inter-trial movement variability...
2017: Frontiers in Computational Neuroscience
https://www.readbyqxmd.com/read/29081351/integrating-biological-treatment-mechanisms-into-randomized-clinical-trials-design-of-progress-prolonged-exposure-and-sertraline-trial
#15
Sheila A M Rauch, Naomi M Simon, H Myra Kim, Ron Acierno, Anthony P King, Sonya B Norman, Margaret R Venners, Katherine Porter, K Luan Phan, Peter W Tuerk, Carolyn Allard, Israel Liberzon, Barbara O Rothbaum, Brian Martis, Murray B Stein, Charles W Hoge
Increased emphasis on mechanisms of treatment effectiveness, biomarker predictors, and objective indicators of treatment response has sparked interest in integrated, translational treatment outcomes trials. The PROlonGed ExpoSure and Sertraline Trial (PROGrESS) is one such randomized controlled trial (RCT) focused on a key question in clinical management of posttraumatic stress disorder (PTSD) - the comparative and combined effectiveness of medication and psychotherapy. PROGrESS employs a state of the art trial design to examine psychotherapy and medication effects across three conditions: 1) Prolonged Exposure (PE) plus pill placebo, 2) Sertraline (SERT) plus Enhanced Medication Management (EMM), and 3) Combined treatment (PE/SERT)...
October 29, 2017: Contemporary Clinical Trials
https://www.readbyqxmd.com/read/29076456/robust-extraction-of-basis-functions-for-simultaneous-and-proportional-myoelectric-control-via-sparse-non-negative-matrix-factorization
#16
Chuang Lin, Binghui Wang, Ning Jiang, Dario Farina
OBJECTIVE: This paper proposes a novel simultaneous and proportional multiple degree of freedom (DOF) myoelectric control method for active prostheses. APPROACH: The approach is based on non-negative matrix factorization (NMF) of surface EMG signals with the inclusion of sparseness constraints. By applying a sparseness constraint to the control signal matrix, it is possible to extract the basis information from arbitrary movements (quasi-unsupervised approach) for multiple DOFs concurrently...
October 27, 2017: Journal of Neural Engineering
https://www.readbyqxmd.com/read/29075665/memristive-stochastic-plasticity-enables-mimicking-of-neural-synchrony-memristive-circuit-emulates-an-optical-illusion
#17
Marina Ignatov, Martin Ziegler, Mirko Hansen, Hermann Kohlstedt
The human brain is able to integrate a myriad of information in an enormous and massively parallel network of neurons that are divided into functionally specialized regions such as the visual cortex, auditory cortex, or dorsolateral prefrontal cortex. Each of these regions participates as a context-dependent, self-organized, and transient subnetwork, which is shifted by changes in attention every 0.5 to 2 s. This leads to one of the most puzzling issues in cognitive neuroscience, well known as the "binding problem...
October 2017: Science Advances
https://www.readbyqxmd.com/read/29067717/haptic-augmented-skin-surface-generation-toward-telepalpation-from-a-mobile-skin-image
#18
K Kim
BACKGROUND/PURPOSE: Very little is known about the methods of integrating palpation techniques to existing mobile teleskin imaging that delivers low quality tactile information (roughness) for telepalpation. However, no study has been reported yet regarding telehaptic palpation using mobile phone images for teledermatology or teleconsultations of skincare. METHODS: This study is therefore aimed at introducing a new algorithm accurately reconstructing a haptic augmented skin surface for telehaptic palpation using a low-cost clip-on microscope simply attached to a mobile phone...
October 25, 2017: Skin Research and Technology
https://www.readbyqxmd.com/read/29067682/eslicarbazepine-acetate-add-on-for-drug-resistant-partial-epilepsy
#19
REVIEW
Xian-Chao Chang, Hai Yuan, Yi Wang, Hui-Qin Xu, Wen-Ke Hong, Rong-Yuan Zheng
BACKGROUND: This is an updated version of the Cochrane Review published in the Cochrane Library 2011, Issue 12.The majority of people with epilepsy have a good prognosis, but up to 30% of people continue to have seizures despite several regimens of antiepileptic drugs. In this review, we summarized the current evidence regarding eslicarbazepine acetate (ESL) when used as an add-on treatment for drug-resistant partial epilepsy. OBJECTIVES: To evaluate the efficacy and tolerability of ESL when used as an add-on treatment for people with drug-resistant partial epilepsy...
October 25, 2017: Cochrane Database of Systematic Reviews
https://www.readbyqxmd.com/read/29067269/the-influence-of-diabetes-distress-on-digital-interventions-for-diabetes-management-in-vulnerable-people-with-type-2-diabetes-a-qualitative-study-of-patient-perspectives
#20
Anne Sophie Mathiesen, Thordis Thomsen, Tonny Jensen, Charlotte Schiøtz, Henning Langberg, Ingrid Egerod
BACKGROUND: Digital interventions for improving diabetes management in Type 2 diabetes mellitus (T2DM) are used universally. Digital interventions are defined as any intervention accessed and taking input from people with T2DM in the form of a web-based or mobile phone-based app to improve diabetes self-management. However, the current confidence in digital interventions threatens to augment social inequalities in health, also known as the "digital divide". To counteract dissemination of the digital divide, we aimed to assess the potential of a tailored digital intervention for improving diabetes management in vulnerable people with T2DM...
September 2017: Journal of Clinical & Translational Endocrinology
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