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Energy cost of running

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https://www.readbyqxmd.com/read/29096505/the-biofragment-database-bfdb-an-open-data-platform-for-computational-chemistry-analysis-of-noncovalent-interactions
#1
Lori A Burns, John C Faver, Zheng Zheng, Michael S Marshall, Daniel G A Smith, Kenno Vanommeslaeghe, Alexander D MacKerell, Kenneth M Merz, C David Sherrill
Accurate potential energy models are necessary for reliable atomistic simulations of chemical phenomena. In the realm of biomolecular modeling, large systems like proteins comprise very many noncovalent interactions (NCIs) that can contribute to the protein's stability and structure. This work presents two high-quality chemical databases of common fragment interactions in biomolecular systems as extracted from high-resolution Protein DataBank crystal structures: 3380 sidechain-sidechain interactions and 100 backbone-backbone interactions that inaugurate the BioFragment Database (BFDb)...
October 28, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29073470/comparative-assessment-of-ceramic-media-for-drinking-water-biofiltration
#2
Dikshant Sharma, Liz Taylor-Edmonds, Robert C Andrews
Media type is a critical design consideration when implementing biofiltration for drinking water treatment. Granular activated carbon (GAC) has been shown to provide superior performance when compared to a wide range of media types, largely due to its higher surface area. Engineered ceramic media is an attractive alternative to GAC as it has a similar surface area but at a lower cost. This pilot-scale biofiltration study compared the performance of GAC, anthracite and two different effective sizes of ceramic (CER) media (1...
October 13, 2017: Water Research
https://www.readbyqxmd.com/read/29040432/machine-learning-accelerates-md-based-binding-pose-prediction-between-ligands-and-proteins
#3
Kei Terayama, Hiroaki Iwata, Mitsugu Araki, Yasushi Okuno, Koji Tsuda
Motivation: Fast and accurate prediction of protein-ligand binding structures is indispensable for structure-based drug design (SBDD) and accurate estimation of binding free energy of drug candidate molecules in drug discovery. Recently, accurate pose prediction methods based on short-MD simulations such as MM-PBSA and MM-GBSA among generated docking poses have been used. Since molecular structures obtained from MD simulation depends on the initial condition, taking the average over different initial conditions leads to better accuracy...
October 11, 2017: Bioinformatics
https://www.readbyqxmd.com/read/29038746/influence-of-exercise-duration-on-cardiorespiratory-responses-energy-cost-and-tissue-oxygenation-within-a-6-hour-treadmill-run
#4
Hugo A Kerhervé, Scott McLean, Karen Birkenhead, David Parr, Colin Solomon
PURPOSE: The physiological mechanisms for alterations in oxygen utilization ([Formula: see text]) and the energy cost of running (Cr ) during prolonged running are not completely understood, and could be linked with alterations in muscle and cerebral tissue oxygenation. METHODS: Eight trained ultramarathon runners (three women; mean ± SD; age 37 ± 7 yr; maximum [Formula: see text] 60 ± 15 mL min(-1) kg(-1)) completed a 6 hr treadmill run (6TR), which consisted of four modules, including periods of moderate (3 min at 10 km h(-1), 10-CR) and heavy exercise intensities (6 min at 70% of maximum [Formula: see text], HILL), separated by three, 100 min periods of self-paced running (SP)...
2017: PeerJ
https://www.readbyqxmd.com/read/28980361/a-low-cost-neutral-zinc-iron-flow-battery-with-high-energy-density-for-stationary-energy-storage
#5
Congxin Xie, Yinqi Duan, Wenbin Xu, Huamin Zhang, Xianfeng Li
Flow batteries (FBs) are one of the most promising stationary energy-storage devices for storing renewable energy. However, commercial progress of FBs is limited by their high cost and low energy density. A neutral zinc-iron FB with very low cost and high energy density is presented. By using highly soluble FeCl2 /ZnBr2 species, a charge energy density of 56.30 Wh L(-1) can be achieved. DFT calculations demonstrated that glycine can combine with iron to suppress hydrolysis and crossover of Fe(3+) /Fe(2+) ...
October 5, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28966714/run-economy-on-a-normal-and-lower-body-positive-pressure-treadmill
#6
Corey Temple, Erik Lind, Deborah VAN Langen, Larissa True, Saige Hupman, James F Hokanson
Lower body positive pressure (LBPP) treadmill running is used more frequently in clinical and athletic settings. Accurate caloric expenditure is required for proper exercise prescription, especially for obese patients performing LBPP exercise. It is unclear if running on LBPP changes running economy (RE) in proportion to the changes in body weight. The purpose of the study was to measure the oxygen consumption (VO2) and running economy (RE) of treadmill running at normal body weight and on LBPP. Twenty-three active, non-obese participants (25...
2017: International Journal of Exercise Science
https://www.readbyqxmd.com/read/28950400/standardized-met-value-underestimates-the-energy-cost-of-treadmill-running-in-men
#7
Helouane M Ázara, Paulo T V Farinatti, Adrian W Midgley, Fabrício Vasconcellos, Patrícia Vigário, Felipe A Cunha
The main purpose of the present study was to compare the reference metabolic equivalent (MET) value and observed resting oxygen uptake (VO2) for defining cardiorespiratory fitness (VO2max) and characterizing the energy cost of treadmill running. A heterogeneous cohort of 114 healthy men volunteered to participate. In Part 1 of the study, 114 men [mean±SD, age: 24±5 years; height: 177.1±7.9 cm; body mass: 75.0±10.0 kg] visited the laboratory twice for assessment of resting and maximal VO2 values to compare the reference MET value vs...
November 2017: International Journal of Sports Medicine
https://www.readbyqxmd.com/read/28927538/advances-in-ligase-chain-reaction-and-ligation-based-amplifications-for-genotyping-assays-detection-and-applications
#8
REVIEW
Abdullah A Gibriel, Ola Adel
Genetic variants have been reported to cause several genetic diseases. Various genotyping assays have been developed for diagnostic and screening purposes but with certain limitations in sensitivity, specificity, cost effectiveness and/or time savings. Since the discovery of ligase chain reaction (LCR) in the late nineties, it became one of the most favored platforms for detecting these variants and also for genotyping low abundant contaminants. Recent and powerful modifications with the integration of various detection strategies such as electrochemical and magnetic biosensors, nanoparticles (NPs), quantum dots, quartz crystal and leaky surface acoustic surface biosensors, DNAzyme, rolling circle amplification (RCA), strand displacement amplification (SDA), surface enhanced raman scattering (SERS), chemiluminescence and fluorescence resonance energy transfer have been introduced to both LCR and ligation based amplifications to enable high-throughput and inexpensive multiplex genotyping with improved robustness, simplicity, sensitivity and specificity...
July 2017: Mutation Research
https://www.readbyqxmd.com/read/28922682/the-energy-cost-of-running-with-the-ball-in-soccer
#9
Alessandro Piras, Milena Raffi, Charalampos Atmatzidis, Franco Merni, Rocco Di Michele
Running with the ball is a soccer-specific activity frequently used by players during match play and training drills. Nevertheless, the energy cost (EC) of on-grass running with the ball has not yet been determined. The purpose of this study was therefore to assess the EC of constant-speed running with the ball, and to compare it with the EC of normal running. Eight amateur soccer players performed two 6- min runs at 10 km/h on artificial turf, respectively with and without the ball. EC was measured with indirect calorimetry and, furthermore, estimated with a method based on players' accelerations measured with a GPS receiver...
November 2017: International Journal of Sports Medicine
https://www.readbyqxmd.com/read/28895063/considerations-in-the-use-of-body-mass-change-to-estimate-change-in-hydration-status-during-a-161-kilometer-ultramarathon-running-competition
#10
Martin D Hoffman, Eric D B Goulet, Ronald J Maughan
Hydration guidelines found in the scientific and popular literature typically advise that body mass losses beyond 2% should be avoided during exercise. In this work, we demonstrate that these guidelines are not applicable to prolonged exercise of several hours where body mass loss does not reflect an equivalent loss of body water due to the effects of body mass change from substrate use, release of water bound with muscle and liver glycogen, and production of water during substrate metabolism. These effects on the body mass loss required to maintain body water balance are shown for a 161-km mountain ultramarathon running competition participant utilizing published data for the total energy cost, exogenous energy consumption and percentage from each fuel source, average participant body mass, and the extent of soft tissue fluid accumulation during an ultramarathon...
September 11, 2017: Sports Medicine
https://www.readbyqxmd.com/read/28886502/nature-based-solutions-in-the-eu-innovating-with-nature-to-address-social-economic-and-environmental-challenges
#11
Nicolas Faivre, Marco Fritz, Tiago Freitas, Birgit de Boissezon, Sofie Vandewoestijne
Contemporary societies are facing a broad range of challenges, from pressures on human health and well-being to natural capital depletion, and the security of food, water and energy. These challenges are deeply intertwined with global processes, such as climate change and with local events such as natural disasters. The EU's research & innovation (R&I) policy is now seeking to address these challenges from a new perspective, with Nature-Based Solutions, and turn them into innovation opportunities that optimise the synergies between nature, society and the economy...
November 2017: Environmental Research
https://www.readbyqxmd.com/read/28873069/fred-a-gpu-accelerated-fast-monte-carlo-code-for-rapid-treatment-plan-recalculation-in-ion-beam-therapy
#12
A Schiavi, M Senzacqua, S Pioli, A Mairani, G Magro, S Molinelli, M Ciocca, G Battistoni, V Patera
Ion beam therapy is a rapidly growing technique for tumor radiation therapy. Ions allow for a high dose deposition in the tumor region, while sparing the surrounding healthy tissue. For this reason, the highest possible accuracy in the calculation of dose and its spatial distribution is required in treatment planning. On one hand, commonly used treatment planning software solutions adopt a simplified beam-body interaction model by remapping pre-calculated dose distributions into a 3D water-equivalent representation of the patient morphology...
September 5, 2017: Physics in Medicine and Biology
https://www.readbyqxmd.com/read/28829688/test-retest-reliability-of-physiological-parameters-in-elite-junior-distance-runners-following-allometric-scaling
#13
Richard C Blagrove, Glyn Howatson, Philip R Hayes
This study aimed to quantify the intra-individual reliability of a number of physiological variables in a group of national and international young distance runners. Sixteen (8 male, 8 female) participants (16.7 ± 1.4 years) performed a submaximal incremental running assessment followed by a maximal running test, on two occasions separated by no more than seven days. Maximal oxygen uptake (V̇O2max), speed at V̇O2max (km h(-1)), running economy and speed and heart rate (HR) at fixed blood lactate concentrations were determined...
November 2017: European Journal of Sport Science
https://www.readbyqxmd.com/read/28828280/energetics-and-evasion-dynamics-of-large-predators-and-prey-pumas-vs-hounds
#14
Caleb M Bryce, Christopher C Wilmers, Terrie M Williams
Quantification of fine-scale movement, performance, and energetics of hunting by large carnivores is critical for understanding the physiological underpinnings of trophic interactions. This is particularly challenging for wide-ranging terrestrial canid and felid predators, which can each affect ecosystem structure through distinct hunting modes. To compare free-ranging pursuit and escape performance from group-hunting and solitary predators in unprecedented detail, we calibrated and deployed accelerometer-GPS collars during predator-prey chase sequences using packs of hound dogs (Canis lupus familiaris, 26 kg, n = 4-5 per chase) pursuing simultaneously instrumented solitary pumas (Puma concolor, 60 kg, n = 2)...
2017: PeerJ
https://www.readbyqxmd.com/read/28828094/variability-of-metabolic-power-data-in-elite-soccer-players-during-pre-season-matches
#15
Matthias Wilhelm Hoppe, Christian Baumgart, Mirko Slomka, Ted Polglaze, Jürgen Freiwald
This study aimed to determine the within-subject variability of GPS-derived metabolic power data in elite soccer players across several pre-season matches and compare the variability of high metabolic power, velocity, acceleration and deceleration running. Additionally, differences in metabolic power data among playing positions and relationships with various physical abilities were also investigated. Metabolic power data from 12 outfield starting players competing in the German Bundesliga were collected during five pre-season matches using GPS-technology (10 Hz)...
September 2017: Journal of Human Kinetics
https://www.readbyqxmd.com/read/28799161/performance-factors-in-a-mountain-ultramarathon
#16
Pascal Balducci, Michel Clémençon, Robin Trama, Yoann Blache, Christophe Hautier
This study aimed to determine mountain ultra-marathon (MUM) performance factors in a large group of endurance mountain runners. Maximal aerobic speed (MAS) was assessed one week prior to the MUM. The level and graded (10%) energy cost of running, stiffness, knee extensors force (KEf), and jump height on a counter movement jump (CMJ) were measured in 24 male ultra runners before (pre) and immediately after (post) the Interlacs Trail (75 km and 3 930/3 700 m d+/d-). Performance time was correlated with MAS (r=- 0...
October 2017: International Journal of Sports Medicine
https://www.readbyqxmd.com/read/28798502/reducing-the-environmental-impact-of-clinical-laboratories
#17
Joseph B Lopez, David Jackson, Alistair Gammie, Tony Badrick
Healthcare is a significant contributor to environmental impact but this has received little attention. The typical laboratory uses far more energy and water per unit area than the typical office building. There is a need to sensitise laboratories to the importance of adopting good environmental practices. Since this comes at an initial cost, it is vital to obtain senior management support. Convincing management of the various tangible and intangible benefits that can accrue in the long run should help achieve this support...
February 2017: Clinical Biochemist. Reviews
https://www.readbyqxmd.com/read/28796524/porous-al-current-collector-for-dendrite-free-na-metal-anodes
#18
Shan Liu, Shan Tang, Xinyue Zhang, Aoxuan Wang, Quan-Hong Yang, Jiayan Luo
Na-based batteries are proposed as promising energy storage candidates for beyond Li-ion technology due to the higher natural earth of Na metal. For its high capacity and low potential, Na metal may carve itself a niche when directly used as anodes. Similar to or even more problematic than Li, however, uneven plating/stripping of Na leads to dendrite formation. As the plating substrates, current collectors have a paramount influence on the Na plating/stripping behaviors. Here we propose porous Al current collectors as the plating substrate to suppress Na dendrites...
September 13, 2017: Nano Letters
https://www.readbyqxmd.com/read/28776996/molecular-dynamics-simulations-on-gas-phase-proteins-with-mobile-protons-inclusion-of-all-atom-charge-solvation
#19
Lars Konermann
Molecular dynamics (MD) simulations have become a key tool for examining the properties of electrosprayed protein ions. Traditional force fields employ static charges on titratable sites, whereas in reality, protons are highly mobile in gas-phase proteins. Earlier studies tackled this problem by adjusting charge patterns during MD runs. Within those algorithms, proton redistribution was subject to energy minimization, taking into account electrostatic and proton affinity contributions. However, those earlier approaches described (de)protonated moieties as point charges, neglecting charge solvation, which is highly prevalent in the gas phase...
August 16, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28751372/energy-cost-of-running-instability-evaluated-with-wearable-trunk-accelerometry
#20
Kurt Heinrich Schütte, Saint Sackey, Rachel Venter, Benedicte Vanwanseele
Maintaining stability under dynamic conditions is an inherent challenge to bipedal running. This challenge may impose an energetic cost (Ec) thus hampering endurance running performance, yet the underlying mechanisms are not clear. Wireless tri-axial trunk accelerometry is a simple tool that could be used to unobtrusively evaluate these mechanisms. Here, we test a cost of instability hypothesis by examining the contribution of trunk accelerometry-based measures (tri-axial root mean square, step and stride regularity, and sample entropy) to inter-individual variance in Ec (kcal...
July 27, 2017: Journal of Applied Physiology
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