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https://www.readbyqxmd.com/read/29227644/molecular-building-block-based-electronic-charges-for-high-throughput-screening-of-mofs-for-adsorption-applications
#1
Edwin Argueta, Jeena Shaji, Arun Gopalan, Peilin Liao, Randall Q Snurr, Diego A Gomez-Gualdron
Metal-organic frameworks (MOFs) are porous crystalline materials with attractive properties for gas separation and storage. Their remarkable tunability makes it possible to create millions of MOF variations, but creates the need for fast material screening to identify promising structures. Computational high-throughput screening (HTS) is a possible solution, but its usefulness is tied to accurate predictions of MOF adsorption properties. Accurate adsorption simulations often require an accurate description of electrostatic interactions, which depend on the electronic charges of the MOF atoms...
December 11, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29226243/single-frame-3d-fluorescence-microscopy-with-ultraminiature-lensless-flatscope
#2
Jesse K Adams, Vivek Boominathan, Benjamin W Avants, Daniel G Vercosa, Fan Ye, Richard G Baraniuk, Jacob T Robinson, Ashok Veeraraghavan
Modern biology increasingly relies on fluorescence microscopy, which is driving demand for smaller, lighter, and cheaper microscopes. However, traditional microscope architectures suffer from a fundamental trade-off: As lenses become smaller, they must either collect less light or image a smaller field of view. To break this fundamental trade-off between device size and performance, we present a new concept for three-dimensional (3D) fluorescence imaging that replaces lenses with an optimized amplitude mask placed a few hundred micrometers above the sensor and an efficient algorithm that can convert a single frame of captured sensor data into high-resolution 3D images...
December 2017: Science Advances
https://www.readbyqxmd.com/read/29225350/maternal-by-environment-but-not-genotype-by-environment-interactions-in-a-fish-without-parental-care
#3
Regina Vega-Trejo, Megan L Head, Michael D Jennions, Loeske E B Kruuk
The impact of environmental conditions on the expression of genetic variance and on maternal effects variance remains an important question in evolutionary quantitative genetics. We investigate here the effects of early environment on variation in seven adult life history, morphological, and secondary sexual traits (including sperm characteristics) in a viviparous poeciliid fish, the mosquitofish Gambusia holbrooki. Specifically, we manipulated food availability during early development and then assessed additive genetic and maternal effects contributions to the overall phenotypic variance in adults...
December 11, 2017: Heredity
https://www.readbyqxmd.com/read/29223120/de-icing-salt-contamination-reduces-urban-tree-performance-in-structural-soil-cells
#4
Camilo Ordóñez-Barona, Vadim Sabetski, Andrew A Millward, James Steenberg
Salts used for de-icing roads and sidewalks in northern climates can have a significant impact on water quality and vegetation. Sub-surface engineering systems, such as structural soil cells, can regulate water runoff and pollutants, and provide the necessary soil volume and irrigation to grow trees. However, the ability of such systems to manage de-icing salt contamination, and the impact of this contamination on the trees growing in them, have not been evaluated. We report on an field investigation of de-icing salt contamination in structural cells in two street-revitalization projects in Toronto, Canada, and the impact of this contamination on tree performance...
December 6, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/29222423/voluntary-modulation-of-mental-effort-investment-an-fmri-study
#5
Omar T Khachouf, Gang Chen, Davide Duzzi, Carlo A Porro, Giuseppe Pagnoni
Mental effort is a common phenomenological construct deeply linked to volition and self-control. While it is often assumed that the amount of exertion invested in a task can be voluntarily regulated, the neural bases of such faculty and its behavioural effects are yet insufficiently understood. In this study, we investigated how the instructions to execute a demanding cognitive task either "with maximum exertion" or "as relaxed as possible" affected performance and brain activity. The maximum exertion condition, compared to relaxed execution, was associated with speeded motor responses without an accuracy trade-off, and an amplification of both task-related activations in dorsal frontoparietal and cerebellar regions, and task-related deactivations in default mode network (DMN) areas...
December 8, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29221107/interferometric-synthetic-aperture-microscopy-for-extended-focus-optical-coherence-microscopy
#6
Séverine Coquoz, Arno Bouwens, Paul J Marchand, Jérôme Extermann, Theo Lasser
Optical coherence microscopy (OCM) is an interferometric technique providing 3D images of biological samples with micrometric resolution and penetration depth of several hundreds of micrometers. OCM differs from optical coherence tomography (OCT) in that it uses a high numerical aperture (NA) objective to achieve high lateral resolution. However, the high NA also reduces the depth-of-field (DOF), scaling with 1/NA2. Interferometric synthetic aperture microscopy (ISAM) is a computed imaging technique providing a solution to this trade-off between resolution and DOF...
November 27, 2017: Optics Express
https://www.readbyqxmd.com/read/29220979/selecting-the-optimal-synthesis-parameters-of-inp-cdxzn1-xse-quantum-dots-for-a-hybrid-remote-phosphor-white-led-for-general-lighting-applications
#7
Jana Ryckaert, António Correia, Mickael D Tessier, Dorian Dupont, Zeger Hens, Peter Hanselaer, Youri Meuret
Quantum dots can be used in white LEDs for lighting applications to fill the spectral gaps in the combined emission spectrum of the blue pumping LED and a broad band phosphor, in order to improve the source color rendering properties. Because quantum dots are low scattering materials, their use can also reduce the amount of backscattered light which can increase the overall efficiency of the white LED. The absorption spectrum and narrow emission spectrum of quantum dots can be easily tuned by altering their synthesis parameters...
November 27, 2017: Optics Express
https://www.readbyqxmd.com/read/29220481/blended-refuge-and-insect-resistance-management-for-insecticidal-corn
#8
David W Onstad, Andre L B Crespo, Zaiqi Pan, Philip R Crain, Stephen D Thompson, Clinton D Pilcher, Amit Sethi
In this review, we evaluate the intentional mixing or blending of insecticidal seed with refuge seed for managing resistance by insects to insecticidal corn (Zea mays). We first describe the pest biology and farming practices that will contribute to weighing trade-offs between using block refuges and blended refuges. Case studies are presented to demonstrate how the trade-offs will differ in different systems. We compare biological aspects of several abstract models to guide the reader through the history of modeling, which has played a key role in the promotion or denigration of blending in various scientific debates about insect resistance management for insecticidal crops...
December 4, 2017: Environmental Entomology
https://www.readbyqxmd.com/read/29220457/multi-field-query-expansion-is-effective-for-biomedical-dataset-retrieval
#9
Mohamed Reda Bouadjenek, Karin Verspoor
In the context of the bioCADDIE challenge addressing information retrieval of biomedical datasets, we propose a method for retrieval of biomedical data sets with heterogenous schemas through query reformulation. In particular, the method proposed transforms the initial query into a multi-field query that is then enriched with terms that are likely to occur in the relevant datasets. We compare and evaluate two query expansion strategies, one based on the Rocchio method and another based on a biomedical lexicon...
January 1, 2017: Database: the Journal of Biological Databases and Curation
https://www.readbyqxmd.com/read/29220369/can-mother-to-child-transmission-of-hiv-be-eliminated-without-addressing-the-issue-of-stigma-modeling-the-case-for-a-setting-in-south-africa
#10
Holly J Prudden, Matthew Hamilton, Anna M Foss, Nicole Dzialowy Adams, Melissa Stockton, Vivian Black, Laura Nyblade
BACKGROUND: Stigma and discrimination ontinue to undermine the effectiveness of the HIV response. Despite a growing body of evidence of the negative relationship between stigma and HIV outcomes, there is a paucity of data available on the prevalence of stigma and its impact. We present a probabilistic cascade model to estimate the magnitude of impact stigma has on mother-to-child-transmission (MTCT). METHODS: The model was parameterized using 2010 data from Johannesburg, South Africa, from which loss-to-care at each stage of the antenatal cascade were available...
2017: PloS One
https://www.readbyqxmd.com/read/29220051/improving-extraction-and-post-purification-concentration-of-membrane-proteins
#11
Hasin Feroz, HyeYoung Kwon, Jing Peng, Hyeonji Oh, Bryan Ferlez, Carol S Baker, John H Golbeck, Guillermo C Bazan, Andrew L Zydney, Manish Kumar
Membrane proteins (MPs), despite being critically important drug targets for the pharmaceutical industry, are difficult to study due to challenges in obtaining high yields of functional protein. Most current extraction efforts use specialized non-ionic detergents to solubilize and stabilize MPs, with MPs being concentrated by ultrafiltration (UF). However, many detergents are retained during the UF step, which can destabilize MPs and/or interfere with their characterization. Here, we studied the influence of detergent selection on the extraction and UF-based concentration of biomedically-relevant MPs, the light-driven sodium and chloride transporters, KR2 and halorhodopsin (pHR) which are also model proteins for more complex mammalian rhodopsins...
December 8, 2017: Analyst
https://www.readbyqxmd.com/read/29219507/closed-loop-control-of-complex-networks-a-trade-off-between-time-and-energy
#12
Yong-Zheng Sun, Si-Yang Leng, Ying-Cheng Lai, Celso Grebogi, Wei Lin
Controlling complex nonlinear networks is largely an unsolved problem at the present. Existing works focus either on open-loop control strategies and their energy consumptions or on closed-loop control schemes with an infinite-time duration. We articulate a finite-time, closed-loop controller with an eye toward the physical and mathematical underpinnings of the trade-off between the control time and energy as well as their dependence on the network parameters and structure. The closed-loop controller is tested on a large number of real systems including stem cell differentiation, food webs, random ecosystems, and spiking neuronal networks...
November 10, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/29218915/improving-precision-in-concept-normalization
#13
Mayla Boguslav, K Bretonnel Cohen, William A Baumgartner, Lawrence E Hunter
Most natural language processing applications exhibit a trade-off between precision and recall. In some use cases for natural language processing, there are reasons to prefer to tilt that trade-off toward high precision. Relying on the Zipfian distribution of false positive results, we describe a strategy for increasing precision, using a variety of both pre-processing and post-processing methods. They draw on both knowledge-based and frequentist approaches to modeling language. Based on an existing high-performance biomedical concept recognition pipeline and a previously published manually annotated corpus, we apply this hybrid rationalist/empiricist strategy to concept normalization for eight different ontologies...
2018: Pacific Symposium on Biocomputing
https://www.readbyqxmd.com/read/29218375/genetic-analysis-of-multi-environmental-spring-wheat-trials-identifies-genomic-regions-for-locus-specific-trade-offs-for-grain-weight-and-grain-number
#14
Sivakumar Sukumaran, Marta Lopes, Susanne Dreisigacker, Matthew Reynolds
GWAS on multi-environment data identified genomic regions associated with trade-offs for grain weight and grain number. Grain yield (GY) can be dissected into its components thousand grain weight (TGW) and grain number (GN), but little has been achieved in assessing the trade-off between them in spring wheat. In the present study, the Wheat Association Mapping Initiative (WAMI) panel of 287 elite spring bread wheat lines was phenotyped for GY, GN, and TGW in ten environments across different wheat growing regions in Mexico, South Asia, and North Africa...
December 7, 2017: TAG. Theoretical and Applied Genetics. Theoretische und Angewandte Genetik
https://www.readbyqxmd.com/read/29218235/experimental-validation-of-the-pseudo-rigid-body-model-of-the-mri-actuated-catheter
#15
Tipakorn Greigarn, Russell Jackson, Taoming Liu, M Cenk Çavuşoğlu
An MRI-actuated catheter is a novel robotic catheter system that utilizes the MRI for both remote steering and visualization for catheter ablation of atrial fibrillation. Planning and control of the catheter requires a sufficiently fast yet accurate model of the catheter. The pseudo-rigid-body (PRB) model offers a reasonable trade-off between speed and accuracy by approximating the continuum catheter as rigid links connected by flexible joints, thus reducing the infinite degrees of freedom of the continuum mechanism to a finite one...
May 2017: IEEE International Conference on Robotics and Automation: ICRA: [proceedings]
https://www.readbyqxmd.com/read/29216595/optimizing-prescribed-fire-allocation-for-managing-fire-risk-in-central-catalonia
#16
Fermín J Alcasena, Alan A Ager, Michele Salis, Michelle A Day, Cristina Vega-Garcia
We used spatial optimization to allocate and prioritize prescribed fire treatments in the fire-prone Bages County, central Catalonia (northeastern Spain). The goal of this study was to identify suitable strategic locations on forest lands for fuel treatments in order to: 1) disrupt major fire movements, 2) reduce ember emissions, and 3) reduce the likelihood of large fires burning into residential communities. We first modeled fire spread, hazard and exposure metrics under historical extreme fire weather conditions, including node influence grid for surface fire pathways, crown fraction burned and fire transmission to residential structures...
December 4, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/29216275/co-existence-of-multiple-trade-off-currencies-shapes-evolutionary-outcomes
#17
Alan A Cohen, Caroline Isaksson, Roberto Salguero-Gómez
Evolutionary studies often assume that energy is the primary resource (i.e. "currency") at the heart of the survival-reproduction trade-off, despite recent evidence to the contrary. The evolutionary consequences of having a single trade-off currency versus multiple competing currencies are unknown. Using simulations, we modeled the evolution of either a single physiological currency between reproduction and survival, or of multiple such currencies. For a wide array of model specifications varying functional forms and strengths of the trade-offs, we show that the presence of multiple currencies (e...
2017: PloS One
https://www.readbyqxmd.com/read/29215173/when-do-trade-offs-occur-the-roles-of-energy-constraints-and-trait-flexibility-in-a-bushcricket
#18
Flavia Barbosa, Darren Rebar, Michael D Greenfield
In many animal species, the expression of sexually-selected traits is negatively correlated with survival traits such as immune function, a relationship termed a 'trade-off'. But an alternative in which sexually-selected traits are positively correlated with survival traits is also widespread. The nature of inter-trait relationships may be largely determined by overall energy expenditure, energy availability, and trait flexibility, with trade-offs expected when individuals are subject to energy constraints...
December 7, 2017: Journal of Evolutionary Biology
https://www.readbyqxmd.com/read/29213181/physiology-limits-commercially-viable-photoautotrophic-production-of-microalgal-biofuels
#19
Philip Kenny, Kevin J Flynn
Algal biofuels have been offered as an alternative to fossil fuels, based on claims that microalgae can provide a highly productive source of compounds as feedstocks for sustainable transport fuels. Life cycle analyses identify algal productivity as a critical factor affecting commercial and environmental viability. Here, we use mechanistic modelling of the biological processes driving microalgal growth to explore optimal production scenarios in an industrial setting, enabling us to quantify limits to algal biofuels potential...
2017: Journal of Applied Phycology
https://www.readbyqxmd.com/read/29212487/recognizing-difficult-trade-offs-values-and-treatment-preferences-for-end-of-life-care-in-a-multi-site-survey-of-adult-patients-in-family-practices
#20
Michelle Howard, Nick Bansback, Amy Tan, Doug Klein, Carrie Bernard, Doris Barwich, Peter Dodek, Aman Nijjar, Daren K Heyland
BACKGROUND: Decisions about care options and the use of life-sustaining treatments should be informed by a person's values and treatment preferences. The objective of this study was to examine the consistency of ratings of the importance of the values statements and the association between values statement ratings and the patient's expressed treatment preference. METHODS: We conducted a multi-site survey in 20 family practices. Patients aged 50 and older self-completed a questionnaire assessing the importance of eight values (rated 1 to 10), and indicated their preference for use of life-sustaining treatment (5 options)...
December 6, 2017: BMC Medical Informatics and Decision Making
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