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https://www.readbyqxmd.com/read/28817608/data-driven-coarse-graining-of-large-biomolecular-structures
#1
Yi-Ling Chen, Michael Habeck
Advances in experimental and computational techniques allow us to study the structure and dynamics of large biomolecular assemblies at increasingly higher resolution. However, with increasing structural detail it can be challenging to unravel the mechanism underlying the function of molecular machines. One reason is that atomistic simulations become computationally prohibitive. Moreover it is difficult to rationalize the functional mechanism of systems composed of tens of thousands to millions of atoms by following each atom's movements...
2017: PloS One
https://www.readbyqxmd.com/read/28817571/automated-segmentation-of-mouse-oct-volumes-asimov-validation-clinical-study-of-a-light-damage-model
#2
Bhavna Josephine Antony, Byung-Jin Kim, Andrew Lang, Aaron Carass, Jerry L Prince, Donald J Zack
The use of spectral-domain optical coherence tomography (SD-OCT) is becoming commonplace for the in vivo longitudinal study of murine models of ophthalmic disease. Longitudinal studies, however, generate large quantities of data, the manual analysis of which is very challenging due to the time-consuming nature of generating delineations. Thus, it is of importance that automated algorithms be developed to facilitate accurate and timely analysis of these large datasets. Furthermore, as the models target a variety of diseases, the associated structural changes can also be extremely disparate...
2017: PloS One
https://www.readbyqxmd.com/read/28817257/cation-anion-arrangement-patterns-in-self-assembled-pd2l4-and-pd4l8-coordination-cages
#3
Guido H Clever, Philip Punt
Compounds featuring one-dimensional regular arrangements of stacked metal complexes and alternating [cation-anion]∞ sequences have raised considerable interest owing to their peculiar electronic and optical properties as well as guest inclusion capabilities. While traditional ways to realize these structural motifs rely on crystalline compounds, exclusively existing in the solid state, recent progress in the area of metal-mediated supramolecular self-assembly allows for the rational synthesis of structurally well-defined short stretches of stacked metal complexes and cation-anion arrangements...
August 17, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28817075/discrimination-of-transgenic-maize-kernel-using-nir-hyperspectral-imaging-and-multivariate-data-analysis
#4
Xuping Feng, Yiying Zhao, Chu Zhang, Peng Cheng, Yong He
There are possible environmental risks related to gene flow from genetically engineered organisms. It is important to find accurate, fast, and inexpensive methods to detect and monitor the presence of genetically modified (GM) organisms in crops and derived crop products. In the present study, GM maize kernels containing both cry1Ab/cry2Aj-G10evo proteins and their non-GM parents were examined by using hyperspectral imaging in the near-infrared (NIR) range (874.41-1733.91 nm) combined with chemometric data analysis...
August 17, 2017: Sensors
https://www.readbyqxmd.com/read/28816702/as-above-so-below-towards-understanding-inverse-models-in-bci
#5
Jussi T Lindgren
In Brain-Computer Interfaces (BCI), measurements of the users brain activity are classified into commands for the computer. With EEG-based BCIs, the origins of the classified phenomena are often considered to be spatially localized in the cortical volume and mixed in the EEG. Does the reconstruction of the source activities in the volume help in building more accurate BCIs? The answer remains inconclusive despite previous work. In this paper, we study the question by contrasting the physiology-driven source reconstruction with data-driven representations obtained by statistical machine learning...
August 17, 2017: Journal of Neural Engineering
https://www.readbyqxmd.com/read/28816675/adaboost-llp-a-boosting-method-for-learning-with-label-proportions
#6
Zhiquan Qi, Fan Meng, Yingjie Tian, Lingfeng Niu, Yong Shi, Peng Zhang
How to solve the classification problem with only label proportions has recently drawn increasing attention in the machine learning field. In this paper, we propose an ensemble learning strategy to deal with the learning problem with label proportions (LLP). In detail, we first give a loss function based on different weights for LLP, and then construct the corresponding weak classifier, at the same time, estimate its conditional probabilities by a standard logistic function. At last, by introducing the maximum likelihood estimation, we propose a new anyboost learning system for LLP (called Adaboost-LLP)...
August 15, 2017: IEEE Transactions on Neural Networks and Learning Systems
https://www.readbyqxmd.com/read/28816659/low-frequency-and-broadband-vibration-energy-harvesting-using-base-mounted-piezoelectric-transducers
#7
Robert Koven, Matthew Mills, Richard Gale, Burak Aksak
Piezoelectric vibration energy harvesters often consist of a cantilevered beam composed of a support layer and one or two piezoelectric layers with a tip mass. While this configuration is advantageous for maximizing electromechanical coupling, the mechanical properties of the piezoelectric material can place limitations on harvester size and resonant frequency. Here, we present numerical and experimental results from a new type of piezoelectric energy harvester in which the mechanical properties and the resonant frequency of the cantilever beam resonator are effectively decoupled from the piezoelectric component...
August 14, 2017: IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control
https://www.readbyqxmd.com/read/28816337/a-bag-of-concepts-approach-for-biomedical-document-classification-using-wikipedia-knowledge-spanish-english-cross-language-case-study
#8
Marcos A Mouriño-García, Roberto Pérez-Rodríguez, Luis E Anido-Rifón
OBJECTIVES: The ability to efficiently review the existing literature is essential for the rapid progress of research. This paper describes a classifier of text documents, represented as vectors in spaces of Wikipedia concepts, and analyses its suitability for classification of Spanish biomedical documents when only English documents are available for training. We propose the cross-language concept matching (CLCM) technique, which relies on Wikipedia interlanguage links to convert concept vectors from the Spanish to the English space...
August 16, 2017: Methods of Information in Medicine
https://www.readbyqxmd.com/read/28816187/comparison-of-film-thickness-of-two-commercial-brands-of-glass-lonomer-cement-and-one-dual-cured-composite-an-in-vitro-study
#9
Rajat R Khajuria, Rishav Singh, Pranamee Barua, Nausheen Hajira, Naveen Gupta, Rohit R Thakkar
AIM: The present study is undertaken to examine the film thickness of three most commonly used luting cements and to determine their usage as a luting agent. MATERIALS AND METHODS: This study was carried out strictly according to the guidelines of American Dental Association (ADS) specification no. 8. Two glass slabs of 5 cm in length and 2 cm in width were used. One glass slab was kept over the other glass slab and the space between the two glass slabs was measured using metallurgical microscope at the power of 10*...
August 1, 2017: Journal of Contemporary Dental Practice
https://www.readbyqxmd.com/read/28816186/reliability-of-orthopantomography-and-cone-beam-computed-tomography-in-presurgical-implant-planning-a-clinical-study
#10
Jasjit Sahota, Aditya Bhatia, Megha Gupta, Vishal Singh, Juhi Soni, Richa Soni
BACKGROUND: Preoperative diagnosis and treatment planning are fundamental requirements to ensure success rate of implant. Cone-beam computed tomography (CBCT) provides all three dimensions and has been proved as a tool for radiology, especially in the success of implant. This study was conducted to evaluate the reliability of orthopantomography (OPG) and CBCT in presurgical implant planning. MATERIALS AND METHODS: The study was conducted on 110 partially or completely edentulous adult patients (male 50 and female 60)...
August 1, 2017: Journal of Contemporary Dental Practice
https://www.readbyqxmd.com/read/28816185/an-in-vitro-evaluation-of-friction-characteristics-of-conventional-stainless-steel-and-self-ligating-stainless-steel-brackets-with-different-dimensions-of-archwires-in-various-bracket-archwire-combination
#11
K Sridharan, Shailesh Sandbhor, U B Rajasekaran, George Sam, M Mohamed Ramees, Esther A Abraham
AIM: The purpose of this research is to compare the frictional attributes of stainless steel conventional brackets and self-ligating stainless steel brackets with different dimensions of archwires. MATERIALS AND METHODS: The test was carried with two sets of maxillary brackets: (1) Conventional stainless steel (Victory Series), (2) stainless steel self-ligating (SmartClip) without first premolar brackets. Stainless steel, nickel-titanium (NiTi), and beta-Ti which are the types of orthodontic wire alloys were tested in this study...
August 1, 2017: Journal of Contemporary Dental Practice
https://www.readbyqxmd.com/read/28815994/imrt-qa-using-machine-learning-a-multi-institutional-validation
#12
Gilmer Valdes, Maria F Chan, Seng Boh Lim, Ryan Scheuermann, Joseph O Deasy, Timothy D Solberg
PURPOSE: To validate a machine learning approach to Virtual intensity-modulated radiation therapy (IMRT) quality assurance (QA) for accurately predicting gamma passing rates using different measurement approaches at different institutions. METHODS: A Virtual IMRT QA framework was previously developed using a machine learning algorithm based on 498 IMRT plans, in which QA measurements were performed using diode-array detectors and a 3%local/3 mm with 10% threshold at Institution 1...
August 17, 2017: Journal of Applied Clinical Medical Physics
https://www.readbyqxmd.com/read/28815984/relationships-between-central-arterial-stiffness-lean-body-mass-and-absolute-and-relative-strength-in-young-and-older-men-and-women
#13
Christopher A Fahs, Robert S Thiebaud, Lindy M Rossow, Jeremy P Loenneke, Debra A Bemben, Michael G Bemben
Relationships between muscular strength and arterial stiffness as well as between muscle mass and arterial stiffness have been observed suggesting a link between the neuromuscular system and vascular health. However, the relationship between central arterial stiffness and absolute and relative strength along with muscle mass has not been investigated in both sexes across a broad age range. The purpose of this study was to examine the relationship between central arterial stiffness and absolute and relative strength as well as between central arterial stiffness and lean body mass (LBM) in men and women across a broad age range...
August 16, 2017: Clinical Physiology and Functional Imaging
https://www.readbyqxmd.com/read/28815921/structure-modification-toward-applicability-domain-of-a-qsar-qspr-model-considering-activity-property
#14
Shoki Ochi, Tomoyuki Miyao, Kimito Funatsu
In drug and material design, the activity and property values of the designed chemical structures can be predicted by quantitative structure-activity and structure-property relationship (QSAR/QSPR) models. When a QSAR/QSPR model is applied to chemical structures, its applicability domain (AD) must be considered. The predicted activity/property values are only reliable for chemical structures inside the AD. Chemical structures outside the AD are usually neglected, as the predicted values are unreliable. The purpose of this study is to develop a methodology for obtaining novel chemical structures with the desired activity or property based on a QSAR/QSPR model by making use of the neglected structures...
August 16, 2017: Molecular Informatics
https://www.readbyqxmd.com/read/28815900/mechanically-interlocked-molecules-mims-molecular-shuttles-switches-and-machines-nobel-lecture
#15
REVIEW
J Fraser Stoddart
Chemistry welcomes a new bond: The mechanical bond has endowed molecules with component parts whose movements can be controlled and monitored. In his Nobel Lecture, J. F. Stoddart describes how being able to template the formation of mechanically interlocked molecules has led to the design and synthesis of shuttles, switches, and machines at the nanoscale.
August 16, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28815887/viologens-and-their-application-as-functional-materials
#16
Laura Striepe, Thomas Baumgartner
Organic materials have recently gained considerable attention for electronic applications, improving performance and sustainability to current technologies. Commercialized metal-based systems are generally expensive, toxic and difficult to recycle, however organic materials offer promising solutions. Viologens, N,N' di-quaternized bipyridyl salts, are a well-studied species exhibiting three reversible redox states, possessing valuable electrochromic and electron-accepting properties. These properties can be fine-tuned through synthesis by altering the nitrogen substituents and various counteranions...
August 16, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28815776/a-photochemical-and-electrochemical-triggered-bis-hydrazone-switch
#17
Mónica A Gordillo, Mónica Soto-Monsalve, Christian C Carmona-Vargas, Gustavo Gutierrez, Richard F D'vries, Jean-Marie Lehn, Manuel N Chaur
Herein, we report the synthesis of a double hydrazone capable of undergoing photochemical E/Z isomerization through the imine double bonds. The bis(hydrazone) 1-E,E can be considered as a "two-arm" system in which the controlled movement of each arm is obtained by photo-modulation, making possible the appearance of two isolable metastable isomeric states 1-E,Z and 1-Z,Z. Such states are characterized by very specific structural, optical and electrochemical properties. The latter, allows the reversible return from either 1-E,Z or 1-Z,Z to the 1-E,E state...
August 17, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28815301/keeping-brains-young-with-making-music
#18
Lars Rogenmoser, Julius Kernbach, Gottfried Schlaug, Christian Gaser
Music-making is a widespread leisure and professional activity that has garnered interest over the years due to its effect on brain and cognitive development and its potential as a rehabilitative and restorative therapy of brain dysfunctions. We investigated whether music-making has a potential age-protecting effect on the brain. For this, we studied anatomical magnetic resonance images obtained from three matched groups of subjects who differed in their lifetime dose of music-making activities (i.e., professional musicians, amateur musicians, and non-musicians)...
August 16, 2017: Brain Structure & Function
https://www.readbyqxmd.com/read/28815238/-effect-of-sintering-temperature-on-mechanical-properties-of-dental-zirconia-toughened-alumina-ceramics
#19
Jiang-Yuan Fan, Ting-Ting Lin, Fang-Xuan Hu, Rui-Bin Zheng, Fan Fan, Jian-Feng Ma
PURPOSE: To investigate the effect of sintering temperature on mechanical properties of dental zirconia toughened alumina (ZTA) ceramics prepared by gel-casting technique. METHODS: The samples prepared by gel-casting were sintered at 1100, 1200, 1250, 1300 and 1400degrees centigrade for each group. The flexural strength, fracture toughness, Vickers hardness and brittleness index were obtained and microscopic morphology of each group was observed under scanning electron microscope (SEM)...
April 2017: Shanghai Kou Qiang Yi Xue, Shanghai Journal of Stomatology
https://www.readbyqxmd.com/read/28815134/interrogating-patient-level-genomics-and-mouse-phenomics-towards-understanding-cytokines-in-colorectal-cancer-metastasis
#20
Xiaoshu Cai, Yang Chen, Chunlei Zheng, Rong Xu
Background: Colorectal cancer is the second leading cancer-related death worldwide and a majority of patients die from metastasis. Chronic intestinal inflammation plays an important role in tumor progression of colorectal cancer. However, few study works on systematically predicting colorectal cancer metastasis using inflammatory cytokine genes. Results: We developed a supervised machine learning approach to predict colorectal cancer tumor progression using patient level genomic features. To better understand the role of cytokines, we integrated the metastatic-related genes from mouse phenotypic data...
2017: AMIA Summits on Translational Science Proceedings
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