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https://www.readbyqxmd.com/read/28719206/direct-quantum-dynamics-using-grid-based-wavefunction-propagation-and-machine-learned-potential-energy-surfaces
#1
Gareth W Richings, Scott Habershon
We describe a method for performing nuclear quantum dynamics calculations using standard, grid-based algorithms, including the multi configurational time-dependent Hartree (MCTDH) method, where the potential energy surface (PES) is calculated ``on-the-fly''. The method of Gaussian process regression (GPR) is used to construct a global representation of the PES using values of the energy at points distributed in molecular configuration space during the course of the wavepacket propagation. We demonstrate this direct dynamics approach for both an analytical PES function describing 3-dimensional proton transfer dynamics in malonaldehyde, and for 2- and 6-dimensional quantum dynamics simulations of proton transfer in salicylaldimine...
July 18, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28719054/evolutionary-cell-biology-of-proteins-from-protists-to-humans-and-plants
#2
REVIEW
Helmut Plattner
During evolution, the cell as a fine-tuned machine had to undergo permanent adjustments to match changes in its environment, while "closed for repair work" was not possible. Evolution from protists (protozoa and unicellular algae) to multicellular organisms may have occurred in basically two lineages, Unikonta and Bikonta, culminating in mammals and angiosperms (flowering plants), respectively. Unicellular models for unikont evolution are myxamoebae (Dictyostelium) and increasingly also choanoflagellates, whereas, for bikonts, ciliates are preferred models...
July 18, 2017: Journal of Eukaryotic Microbiology
https://www.readbyqxmd.com/read/28718848/label-free-high-throughput-holographic-screening-and-enumeration-of-tumor-cells-in-blood
#3
Dhananjay Kumar Singh, Caroline C Ahrens, Wei Li, Siva A Vanapalli
We introduce inline digital holographic microscopy (in-line DHM) as a label-free technique for detecting tumor cells in blood. The optimized DHM platform fingerprints every cell flowing through a microchannel at 10 000 cells per second, based on three features - size, maximum intensity and mean intensity. To identify tumor cells in a background of blood cells, we developed robust gating criteria using machine-learning approaches. We established classifiers from the features extracted from 100 000-cell training sets consisting of red blood cells, peripheral blood mononuclear cells and tumor cell lines...
July 18, 2017: Lab on a Chip
https://www.readbyqxmd.com/read/28717900/elements-of-program-design-in-medicare-s-value-based-and-alternative-payment-models-a-narrative-review
#4
Karen E Joynt Maddox, Aditi P Sen, Lok Wong Samson, Rachael B Zuckerman, Nancy DeLew, Arnold M Epstein
Increasing emphasis on value in health care has spurred the development of value-based and alternative payment models. Inherent in these models are choices around program scope (broad vs. narrow); selecting absolute or relative performance targets; rewarding improvement, achievement, or both; and offering penalties, rewards, or both. We examined and classified current Medicare payment models-the Hospital Readmissions Reduction Program (HRRP), Hospital Value-Based Purchasing Program (HVBP), Hospital-Acquired Conditions Reduction Program (HACRP), Medicare Advantage Quality Star Rating program, Physician Value-Based Payment Modifier (VM) and its successor, the Merit-Based Incentive Payment System (MIPS), and the Medicare Shared Savings Program (MSSP) on these elements of program design and reviewed the literature to place findings in context...
July 17, 2017: Journal of General Internal Medicine
https://www.readbyqxmd.com/read/28717871/sleeve-gastrectomy-telementoring-a-sages-multi-institutional-quality-improvement-initiative
#5
Ninh T Nguyen, Allan Okrainec, Mehran Anvari, Brian Smith, Oz Meireles, Denise Gee, Erin Moran-Atkin, Evelyn Baram-Clothier, Diego R Camacho
BACKGROUND: Sleeve gastrectomy is a relatively new procedure that developed as a result of rapid innovation in the field of bariatric surgery. As with any newly developed operation, there is a learning curve that potentially can be associated with higher morbidity. Real-time surgical mentoring reduces the learning curve effect but can be time intensive for the mentor. The aim of this initiative was to evaluate the feasibility, effectiveness, and satisfaction of surgical telementoring for laparoscopic sleeve gastrectomy...
July 17, 2017: Surgical Endoscopy
https://www.readbyqxmd.com/read/28717600/implementation-of-the-xpert-mtb-rif-assay-for-tuberculosis-in-mongolia-a-qualitative-exploration-of-barriers-and-enablers
#6
Nicole L Rendell, Solongo Bekhbat, Gantungalag Ganbaatar, Munkhjargal Dorjravdan, Madhukar Pai, Claudia C Dobler
OBJECTIVE: The aim of our study was to identify barriers and enablers to implementation of the Xpert MTB/RIF test within Mongolia's National Tuberculosis Program. METHODS: Twenty-foursemi-structured interviews were conducted between June and September 2015 with laboratory staff and tuberculosis physicians in Mongolia's capital Ulaanbaatar and regional towns where Xpert MTB/RIF testing had been implemented. Interviews were recorded, transcribed, translated and analysed thematically using NVIVO qualitative analysis software...
2017: PeerJ
https://www.readbyqxmd.com/read/28716787/can-nurse-teachers-manage-student-incivility-by-guided-democracy-a-grounded-theory-study
#7
Mostafa Rad, Hossein Karimi Moonaghi, Eshagh Ildarabadi
INTRODUCTION: Managing incivility in academic settings is among the basic concerns and challenges of most educational systems, including nursing education. Incivility management cannot be considered devoid of disruptive behaviors. However, incivility management is a complexphenomenon upon which few studies are conducted. OBJECTIVES: The present study aims at discovering teachers and students' experiences regarding incivility and developing an approach to manage nursing students' incivility...
July 17, 2017: BMJ Open
https://www.readbyqxmd.com/read/28716650/the-use-of-prostate-specific-antigen-screening-in-purchased-versus-direct-care-settings-data-from-the-tricare-military-database
#8
Alexander P Cole, Wei Jiang, Stuart R Lipsitz, Peter A Learn, Maxine Sun, Toni K Choueiri, Paul L Nguyen, Adam S Kibel, Mani Menon, Jesse D Sammon, Tracey Koehlmoos, Adil Haider, Quoc-Dien Trinh
PURPOSE: Fee for service (FFS) reimbursement incentives may affect care. We sought to compare odds of PSA screening among former and active duty United States (US) military service members based on receipt of primary care from integrated military health facilities versus community providers reimbursed via FFS. MATERIALS AND METHODS: We performed a retrospective study of all active duty and retired male service members (40-64) covered by the TRICARE military health benefit in 2010...
July 14, 2017: Journal of Urology
https://www.readbyqxmd.com/read/28716096/optimizing-reproducibility-of-operant-testing-through-reinforcer-standardization-identification-of-key-nutritional-constituents-determining-reward-strength-in-touchscreens
#9
Eun Woo Kim, Benjamin U Phillips, Christopher J Heath, So Yeon Cho, Hyunjeong Kim, Jemeen Sreedharan, Ho-Taek Song, Jong Eun Lee, Timothy J Bussey, Chul Hoon Kim, Eosu Kim, Lisa M Saksida
Reliable and reproducible assessment of animal learning and behavior is a central aim of basic and translational neuroscience research. Recent developments in automated operant chamber technology have led to the possibility of universal standard protocols, in addition to increased translational potential, reliability and accuracy. However, the impact of regional and national differences in the supplies of available reinforcers in this system on behavioural performance and inter-laboratory variability is an unknown and at present uncontrolled variable...
July 17, 2017: Molecular Brain
https://www.readbyqxmd.com/read/28715341/an-automatic-detection-system-of-lung-nodule-based-on-multi-group-patch-based-deep-learning-network
#10
Hongyang Jiang, He Ma, Wei Qian, Mengdi Gao, Yan Li
High-efficiency lung nodule detection dramatically contributes to the risk assessment of lung cancer. It is a significant and challenging task to quickly locate the exact positions of lung nodules. Extensive work has been done by researchers around this domain for approximately two decades. However, previous computer aided detection (CADe) schemes are mostly intricate and time-consuming since they may require more image processing modules, such as the computed tomography (CT) image transformation, the lung nodule segmentation and the feature extraction, to construct a whole CADe system...
July 14, 2017: IEEE Journal of Biomedical and Health Informatics
https://www.readbyqxmd.com/read/28715325/inference-based-similarity-search-in-randomized-montgomery-domains-for-privacy-preserving-biometric-identification
#11
Yi Wang, Jianwu Wan, Jun Guo, Yiu-Ming Cheung, Pong C Yuen
Similarity search is essential to many important applications and often involves searching at scale on high-dimensional data based on their similarity to a query. In biometric applications, recent vulnerability studies have shown that adversarial machine learning can compromise biometric recognition systems by exploiting the biometric similarity information. Existing methods for biometric privacy protection are in general based on pairwise matching of secured biometric templates and have inherent limitations in search efficiency and scalability...
July 14, 2017: IEEE Transactions on Pattern Analysis and Machine Intelligence
https://www.readbyqxmd.com/read/28715094/drosophila-mutants-lacking-octopamine-exhibit-impairment-in-aversive-olfactory-associative-learning
#12
Konstantin G Iliadi, Natalia Iliadi, Gabrielle L Boulianne
Octopamine is a biogenic amine in invertebrates that is considered a functional homolog of vertebrate norepinephrine, acting as a neurotransmitter, neuromodulator and neurohormone. Octopamine regulates many physiological processes such as metabolism, reproduction and different types of behaviour including learning and memory. Previous studies in insects led to the notion that acquisition of an olfactory memory depends on the octopaminergic system during appetitive (reward-based) learning, but not in the case of aversive (punishment-based) learning...
July 17, 2017: European Journal of Neuroscience
https://www.readbyqxmd.com/read/28714187/a-critique-of-utilitarian-and-instrumentalist-concepts-for-the-teaching-of-gross-anatomy-to-medical-and-dental-students-an-opinion-piece
#13
Bernard J Moxham, Diogo Pais
Medical and dental curricula, together with anatomical sciences courses, are increasingly having to change, mainly because there is a drive to being what is termed, without adequate definition, 'clinically relevant'. The concept of 'clinical anatomy' has accordingly been invented and it is expected that, at all times, the teaching of anatomy is directly focussed on clinical scenarios, meaning almost invariably the 'disease-based model of medicine and dentistry'. Furthermore, students are not expected to have a detailed knowledge of gross anatomy and the time devoted to teaching and learning the subject has decreased significantly...
July 16, 2017: Clinical Anatomy
https://www.readbyqxmd.com/read/28712921/selective-regulation-of-biological-processes-by-vitamin-d-based-on-the-spatio-temporal-cistrome-of-its-receptor
#14
Antonio Neme, Sabine Seuter, Carsten Carlberg
The transcription factor vitamin D receptor (VDR) is the exclusive nuclear target of the biologically active form of vitamin D (1,25(OH)2D3). In THP-1 human monocytes we obtained a highly accurate VDR cistrome after 2 and 24 h ligand stimulation comprising more than 11,600 genomic loci, 78% of which were detected exclusively after 24 h. In contrast, a group of 510 persistent VDR sites occurred at all conditions and some 2,100 VDR loci were only transiently occupied. Machine learning and statistical analysis as well as a comparison with the re-analyzed B cell VDR cistrome indicated a subgroup of 339 highly conserved persistent VDR sites that were suited best for describing vitamin D-triggered gene regulatory scenarios...
July 13, 2017: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/28711988/emotion-recognition-based-on-eeg-features-in-movie-clips-with-channel-selection
#15
Mehmet Siraç Özerdem, Hasan Polat
Emotion plays an important role in human interaction. People can explain their emotions in terms of word, voice intonation, facial expression, and body language. However, brain-computer interface (BCI) systems have not reached the desired level to interpret emotions. Automatic emotion recognition based on BCI systems has been a topic of great research in the last few decades. Electroencephalogram (EEG) signals are one of the most crucial resources for these systems. The main advantage of using EEG signals is that it reflects real emotion and can easily be processed by computer systems...
July 15, 2017: Brain Informatics
https://www.readbyqxmd.com/read/28711053/representations-in-neural-network-based-empirical-potentials
#16
Ekin D Cubuk, Brad D Malone, Berk Onat, Amos Waterland, Efthimios Kaxiras
Many structural and mechanical properties of crystals, glasses, and biological macromolecules can be modeled from the local interactions between atoms. These interactions ultimately derive from the quantum nature of electrons, which can be prohibitively expensive to simulate. Machine learning has the potential to revolutionize materials modeling due to its ability to efficiently approximate complex functions. For example, neural networks can be trained to reproduce results of density functional theory calculations at a much lower cost...
July 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28710800/dissociation-of-spatial-memory-systems-in-williams-syndrome
#17
Mathilde Bostelmann, Emilie Fragnière, Floriana Costanzo, Silvia Di Vara, Deny Menghini, Stefano Vicari, Pierre Lavenex, Pamela Banta Lavenex
Williams syndrome (WS), a genetic deletion syndrome, is characterized by severe visuospatial deficits affecting performance on both tabletop spatial tasks and on tasks which assess orientation and navigation. Nevertheless, previous studies of WS spatial capacities have ignored the fact that two different spatial memory systems are believed to contribute parallel spatial representations supporting navigation. The place learning system depends on the hippocampal formation and creates flexible relational representations of the environment, also known as cognitive maps...
July 15, 2017: Hippocampus
https://www.readbyqxmd.com/read/28708848/predicting-all-cause-risk-of-30-day-hospital-readmission-using-artificial-neural-networks
#18
Mehdi Jamei, Aleksandr Nisnevich, Everett Wetchler, Sylvia Sudat, Eric Liu
Avoidable hospital readmissions not only contribute to the high costs of healthcare in the US, but also have an impact on the quality of care for patients. Large scale adoption of Electronic Health Records (EHR) has created the opportunity to proactively identify patients with high risk of hospital readmission, and apply effective interventions to mitigate that risk. To that end, in the past, numerous machine-learning models have been employed to predict the risk of 30-day hospital readmission. However, the need for an accurate and real-time predictive model, suitable for hospital setting applications still exists...
2017: PloS One
https://www.readbyqxmd.com/read/28708557/blind-deep-s3d-image-quality-evaluation-via-local-to-global-feature-aggregation
#19
Heeseok Oh, Sewoong Ahn, Jongyoo Kim, Sanghoon Lee
Previously, no-reference (NR) stereoscopic 3D (S3D) image quality assessment (IQA) algorithms have been limited to the extraction of reliable hand-crafted features based on an understanding of the insufficiently revealed human visual system or natural scene statistics. Furthermore, compared with full-reference (FR) S3D IQA metrics, it is difficult to achieve competitive quality score predictions using the extracted features, which are not optimized with respect to human opinion. To cope with this limitation of the conventional approach, we introduce a novel deep learning scheme for NR S3D IQA in terms of local to global feature aggregation...
July 11, 2017: IEEE Transactions on Image Processing: a Publication of the IEEE Signal Processing Society
https://www.readbyqxmd.com/read/28707953/neural-correlates-of-visual-memory-in-patients-with-diffuse-axonal-injury
#20
Juliane Lauer, Laura Moreno-López, Anne Manktelow, Ellen L Carroll, Joanne G Outtrim, Jonathan P Coles, Virginia F Newcombe, Barbara J Sahakian, David K Menon, Emmanuel A Stamatakis
PRIMARY OBJECTIVE: To investigate the neural substrates of visual memory in a sample of patients with traumatic brain injury (TBI). We hypothesized that patients with decreased grey and white matter volume in frontal and parietal cortices as well as medial temporal and occipital lobes would perform poorly on the tests of visual memory analysed. METHODS AND PROCEDURES: 39 patients and 53 controls were assessed on tests of visual memory and learning from the Cambridge Neuropsychological Test Automated Battery (CANTAB)...
July 14, 2017: Brain Injury: [BI]
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