keyword
https://read.qxmd.com/read/38626754/technology-characterization-through-diverse-evaluation-methodologies-application-to-thoracic-imaging-in-photon-counting-computed-tomography
#1
JOURNAL ARTICLE
Jayasai R Rajagopal, Fides R Schwartz, Cindy McCabe, Faraz Farhadi, Mojtaba Zarei, Francesco Ria, Ehsan Abadi, Paul Segars, Juan Carlos Ramirez-Giraldo, Elizabeth C Jones, Travis Henry, Daniele Marin, Ehsan Samei
OBJECTIVE: Different methods can be used to condition imaging systems for clinical use. The purpose of this study was to assess how these methods complement one another in evaluating a system for clinical integration of an emerging technology, photon-counting computed tomography (PCCT), for thoracic imaging. METHODS: Four methods were used to assess a clinical PCCT system (NAEOTOM Alpha; Siemens Healthineers, Forchheim, Germany) across 3 reconstruction kernels (Br40f, Br48f, and Br56f)...
April 15, 2024: Journal of Computer Assisted Tomography
https://read.qxmd.com/read/38480966/us-oil-and-gas-system-emissions-from-nearly-one-million-aerial-site-measurements
#2
JOURNAL ARTICLE
Evan D Sherwin, Jeffrey S Rutherford, Zhan Zhang, Yuanlei Chen, Erin B Wetherley, Petr V Yakovlev, Elena S F Berman, Brian B Jones, Daniel H Cusworth, Andrew K Thorpe, Alana K Ayasse, Riley M Duren, Adam R Brandt
As airborne methane surveys of oil and gas systems continue to discover large emissions that are missing from official estimates1-4 , the true scope of methane emissions from energy production has yet to be quantified. We integrate approximately one million aerial site measurements into regional emissions inventories for six regions in the USA, comprising 52% of onshore oil and 29% of gas production over 15 aerial campaigns. We construct complete emissions distributions for each, employing empirically grounded simulations to estimate small emissions...
March 2024: Nature
https://read.qxmd.com/read/38369976/compositae-paraloss-1272-a-complementary-sunflower-specific-probe-set-reduces-paralogs-in-phylogenomic-analyses-of-complex-systems
#3
COMMENT
Erika R Moore-Pollard, Daniel S Jones, Jennifer R Mandel
PREMISE: A family-specific probe set for sunflowers, Compositae-1061, enables family-wide phylogenomic studies and investigations at lower taxonomic levels, but may lack resolution at genus to species levels, especially in groups complicated by polyploidy and hybridization. METHODS: We developed a Hyb-Seq probe set, Compositae-ParaLoss-1272, that targets orthologous loci in Asteraceae. We tested its efficiency across the family by simulating target enrichment sequencing in silico...
2024: Applications in Plant Sciences
https://read.qxmd.com/read/38366536/multiscale-richtmyer-meshkov-instability-experiments-to-isolate-the-strain-rate-dependence-of-strength
#4
JOURNAL ARTICLE
Michael B Prime, Saryu J Fensin, David R Jones, Joshua W Dyer, Daniel T Martinez
Theoretical analysis of Richtmyer-Meshkov instability (RMI) experiments for solid strength shows that the strain rate for a given shock should be inversely proportional to the length scale of the sine wave perturbations when η_{0}k, the nondimensional amplitude to wavelength ratio, is held fixed. To isolate the effect of strain rate on strength, free-surface RMI specimens of annealed copper were prepared with three perturbation regions with the same η_{0}k but different length scales, characterized by the wavelength λ varying by a factor of 4...
January 2024: Physical Review. E
https://read.qxmd.com/read/38341694/polymeric-surfactants-at-liquid-liquid-interfaces-dependence-of-structural-and-thermodynamic-properties-on-copolymer-architecture
#5
JOURNAL ARTICLE
Jonathan G Coldstream, Philip J Camp, Daniel J Phillips, Peter J Dowding
Polymeric surfactants are amphiphilic molecules with two or more different types of monomers. If one type of monomer interacts favorably with a liquid, and another type of monomer interacts favorably with another, immiscible liquid, then polymeric surfactants adsorb at the interface between the two liquids and reduce the interfacial tension. The effects of polymer architecture on the structural and thermodynamic properties of the liquid-liquid interface are studied using molecular simulations. The interface is modeled with a non-additive binary Lennard-Jones fluid in the two-phase region of the phase diagram...
February 7, 2024: Journal of Chemical Physics
https://read.qxmd.com/read/38169482/water-electric-field-induced-modulation-of-the-wetting-of-hexagonal-boron-nitride-insights-from-multiscale-modeling-of-many-body-polarization
#6
JOURNAL ARTICLE
Shuang Luo, Rahul Prasanna Misra, Daniel Blankschtein
Understanding the behavior of water contacting two-dimensional materials, such as hexagonal boron nitride (hBN), is important in practical applications, including seawater desalination and energy harvesting. Water, being a polar solvent, can strongly polarize the hBN surface via the electric fields that it generates. However, there is a lack of molecular-level understanding about the role of polarization effects at the hBN/water interface, including its effect on the wetting properties of water. In this study, we develop a theoretical framework that introduces an all-atomistic polarizable force field to accurately model the interactions of water molecules with hBN surfaces...
January 3, 2024: ACS Nano
https://read.qxmd.com/read/38132003/an-exploration-of-nurses-experience-following-a-face-to-face-or-web-based-intervention-on-patient-deterioration
#7
JOURNAL ARTICLE
Jeong-Ah Kim, Linda K Jones, Daniel Terry, Cliff Connell
A web-based clinical simulation program, known as FIRST2 ACT (Feedback Incorporating Review and Simulation Techniques to Act on Clinical Trends), was designed to increase the efficacy of clinicians' actions in the recognition and immediate response to a patient's deterioration. This study, which was nested in a larger mixed method project, used ten focus groups ( n = 65) of graduate, enrolled, registered nurses, associate nurse unit managers, and general managers/educators/coordinators from four different institutions to investigate whether nurses felt their practice was influenced by participating in either a face-to-face or web-based simulation educational programme about patient deterioration...
December 7, 2023: Healthcare (Basel, Switzerland)
https://read.qxmd.com/read/38090470/the-application-of-advanced-bone-imaging-technologies-in-sports-medicine
#8
REVIEW
Samuel S Tadros, Scott Epsley, Sameer Mehta, Brandon C Jones, Hiran I Rajapakse, Rashad Madi, Austin Alecxih, Daniel Kargilis, Chamith S Rajapakse
Until recently, the evaluation of bone health and fracture risk through imaging has been limited to dual-energy X-ray absorptiometry (DXA) and plain radiographs, with a limited application in the athletic population. Several novel imaging technologies are now available for the clinical assessment of bone health, including bone injury risk and healing progression, with a potential for use in sports medicine. Among these imaging modalities is high-resolution peripheral quantitative computed tomography (HR-pQCT) which is a promising technology that has been developed to examine the bone microarchitecture in both cortical and trabecular bone at peripheral anatomical sites...
2023: Radiology Research and Practice
https://read.qxmd.com/read/38013814/a-transferable-double-exponential-potential-for-condensed-phase-simulations-of-small-molecules
#9
JOURNAL ARTICLE
Joshua T Horton, Simon Boothroyd, Pavan Kumar Behara, David L Mobley, Daniel J Cole
The Lennard-Jones potential is the most widely-used function for the description of non-bonded interactions in transferable force fields for the condensed phase. This is not because it has an optimal functional form, but rather it is a legacy resulting from when computational expense was a major consideration and this potential was particularly convenient numerically. At present, it persists because the effort that would be required to re-write molecular modelling software and train new force fields has, until now, been prohibitive...
August 8, 2023: Digit Discov
https://read.qxmd.com/read/37862377/modelling-how-plant-cell-cycle-progression-leads-to-cell-size-regulation
#10
JOURNAL ARTICLE
Daniel Williamson, William Tasker-Brown, James A H Murray, Angharad R Jones, Leah R Band
Populations of cells typically maintain a consistent size, despite cell division rarely being precisely symmetrical. Therefore, cells must possess a mechanism of "size control", whereby the cell volume at birth affects cell-cycle progression. While size control mechanisms have been elucidated in a number of other organisms, it is not yet clear how this mechanism functions in plants. Here, we present a mathematical model of the key interactions in the plant cell cycle. Model simulations reveal that the network of interactions exhibits limit-cycle solutions, with biological switches underpinning both the G1/S and G2/M cell-cycle transitions...
October 20, 2023: PLoS Computational Biology
https://read.qxmd.com/read/37699250/a-visual-vestibular-model-to-predict-motion-sickness-for-linear-and-angular-motion
#11
JOURNAL ARTICLE
Daniel Sousa Schulman, Nishant Jalgaonkar, Sneha Ojha, Ana Rivero Valles, Monica L H Jones, Shorya Awtar
OBJECTIVE: This study proposed a model to predict passenger motion sickness under the presence of a visual-vestibular conflict and assessed its performance with respect to previously recorded experimental data. BACKGROUND: While several models have been shown useful to predict motion sickness under repetitive motion, improvements are still desired in terms of predicting motion sickness in realistic driving conditions. There remains a need for a model that considers angular and linear visual-vestibular motion inputs in three dimensions to improve prediction of passenger motion sickness...
September 12, 2023: Human Factors
https://read.qxmd.com/read/37450808/noether-constrained-correlations-in-equilibrium-liquids
#12
JOURNAL ARTICLE
Florian Sammüller, Sophie Hermann, Daniel de Las Heras, Matthias Schmidt
Liquid structure carries deep imprints of an inherent thermal invariance against a spatial transformation of the underlying classical many-body Hamiltonian. At first order in the transformation field Noether's theorem yields the local force balance. Three distinct two-body correlation functions emerge at second order, namely the standard two-body density, the localized force-force correlation function, and the localized force gradient. An exact Noether sum rule interrelates these correlators. Simulations of Lennard-Jones, Yukawa, soft-sphere dipolar, Stockmayer, Gay-Berne and Weeks-Chandler-Andersen liquids, of monatomic water and of a colloidal gel former demonstrate the fundamental role in the characterization of spatial structure...
June 30, 2023: Physical Review Letters
https://read.qxmd.com/read/37426750/an-information-theoretic-approach-to-detecting-spatially-varying-genes
#13
JOURNAL ARTICLE
Daniel C Jones, Patrick Danaher, Youngmi Kim, Joseph M Beechem, Raphael Gottardo, Evan W Newell
A key step in spatial transcriptomics is identifying genes with spatially varying expression patterns. We adopt an information theoretic perspective to this problem by equating the degree of spatial coherence with the Jensen-Shannon divergence between pairs of nearby cells and pairs of distant cells. To avoid the notoriously difficult problem of estimating information theoretic divergences, we use modern approximation techniques to implement a computationally efficient algorithm designed to scale with in situ spatial transcriptomics technologies...
June 26, 2023: Cell Rep Methods
https://read.qxmd.com/read/37416979/factors-associated-with-improved-pediatric-resuscitative-care-in-general-emergency-departments
#14
JOURNAL ARTICLE
Marc A Auerbach, Travis Whitfill, Erin Montgomery, James Leung, David Kessler, Isabel T Gross, Barbara M Walsh, Melinda Fiedor Hamilton, Marcie Gawel, Shruti Kant, Stephen Janofsky, Linda L Brown, Theresa A Walls, Michelle Alletag, Anna Sessa, Grace M Arteaga, Ashley Keilman, Wendy Van Ittersum, Maia S Rutman, Pavan Zaveri, Grace Good, Jessica C Schoen, Meghan Lavoie, Mark Mannenbach, Ladonna Bigham, Robert A Dudas, Chrystal Rutledge, Pamela J Okada, Michelle Moegling, Ingrid Anderson, Khoon-Yen Tay, Daniel J Scherzer, Samreen Vora, Stacy Gaither, Daniel Fenster, Derick Jones, Michelle Aebersold, Jenny Chatfield, Lynda Knight, Marc Berg, Ana Makharashvili, Jessica Katznelson, Emily Mathias, Riad Lutfi, Samer Abu-Sultaneh, Brian Burns, Patricia Padlipsky, Jumie Lee, Lucas Butler, Sarah Alander, Anita Thomas, Ambika Bhatnagar, Farrukh N Jafri, Jason Crellin, Kamal Abulebda
OBJECTIVES: To describe the quality of pediatric resuscitative care in general emergency departments (GEDs) and to determine hospital-level factors associated with higher quality. METHODS: Prospective observational study of resuscitative care provided to 3 in situ simulated patients (infant seizure, infant sepsis, and child cardiac arrest) by interprofessional GED teams. A composite quality score (CQS) was measured and the association of this score with modifiable and nonmodifiable hospital-level factors was explored...
August 1, 2023: Pediatrics
https://read.qxmd.com/read/37369587/mouse-behavior-on-the-trial-unique-nonmatching-to-location-tunl-touchscreen-task-reflects-a-mixture-of-distinct-working-memory-codes-and-response-biases
#15
JOURNAL ARTICLE
Daniel Bennett, Jay Nakamura, Chitra Vinnakota, Elysia Sokolenko, Jess Nithianantharajah, Maarten van den Buuse, Nigel C Jones, Suresh Sundram, Rachel Hill
The trial-unique nonmatching to location (TUNL) touchscreen task shows promise as a translational assay of working memory (WM) deficits in rodent models of autism, ADHD, and schizophrenia. However, the low-level neurocognitive processes that drive behavior in the TUNL task have not been fully elucidated. In particular, it is commonly assumed that the TUNL task predominantly measures spatial WM dependent on hippocampal pattern separation, but this proposition has not previously been tested. In this project, we tested this question using computational modeling of behavior from male and female mice performing the TUNL task ( N = 163 across three datasets; 158,843 trials)...
August 2, 2023: Journal of Neuroscience
https://read.qxmd.com/read/37367367/investigating-photo-degradation-as-a-potential-pheromone-production-pathway-in-spotted-lanternfly-lycorma-delicatula
#16
JOURNAL ARTICLE
Hajar Faal, Isaiah J Canlas, Allard Cossé, Tappey H Jones, Daniel Carrillo, Miriam F Cooperband
Since its discovery in North America in 2014, the spotted lanternfly (SLF), Lycorma delicatula , has become an economic, ecological, and nuisance pest there. Developing early detection and monitoring tools is critical to their mitigation and control. Previous research found evidence that SLF may use pheromones to help locate each other for aggregation or mating. Pheromone production necessitates specific conditions by the insects, and these must be investigated and described. A chemical process called photo-degradation has been described as a final step in the production of pheromones in several diurnal insect species, in which cuticular hydrocarbons were broken down by sunlight into volatile pheromone components...
June 13, 2023: Insects
https://read.qxmd.com/read/37338031/role-of-the-single-particle-dynamics-in-the-transverse-current-autocorrelation-function-of-a-liquid-metal
#17
JOURNAL ARTICLE
Eleonora Guarini, Ubaldo Bafile, Daniele Colognesi, Alessandro Cunsolo, Alessio De Francesco, Ferdinando Formisano, Wouter Montfrooij, Martin Neumann, Fabrizio Barocchi
A recent simulation study of the transverse current autocorrelation of the Lennard-Jones fluid [Guarini et al., Phys. Rev. E 107, 014139 (2023)] revealed that this function can be perfectly described within the exponential expansion theory [Barocchi et al., Phys. Rev. E 85, 022102 (2012)]. However, above a certain wavevector Q, not only transverse collective excitations were found to propagate in the fluid, but a second oscillatory component of unclear origin (therefore called X) must be considered to fully account for the time dependence of the correlation function...
June 21, 2023: Journal of Chemical Physics
https://read.qxmd.com/read/37167319/development-and-benchmarking-of-open-force-field-2-0-0-the-sage-small-molecule-force-field
#18
JOURNAL ARTICLE
Simon Boothroyd, Pavan Kumar Behara, Owen C Madin, David F Hahn, Hyesu Jang, Vytautas Gapsys, Jeffrey R Wagner, Joshua T Horton, David L Dotson, Matthew W Thompson, Jessica Maat, Trevor Gokey, Lee-Ping Wang, Daniel J Cole, Michael K Gilson, John D Chodera, Christopher I Bayly, Michael R Shirts, David L Mobley
We introduce the Open Force Field (OpenFF) 2.0.0 small molecule force field for drug-like molecules, code-named Sage, which builds upon our previous iteration, Parsley. OpenFF force fields are based on direct chemical perception, which generalizes easily to highly diverse sets of chemistries based on substructure queries. Like the previous OpenFF iterations, the Sage generation of OpenFF force fields was validated in protein-ligand simulations to be compatible with AMBER biopolymer force fields. In this work, we detail the methodology used to develop this force field, as well as the innovations and improvements introduced since the release of Parsley 1...
May 11, 2023: Journal of Chemical Theory and Computation
https://read.qxmd.com/read/36976615/efficiency-comparison-of-single-and-multiple-macrostate-grand-canonical-ensemble-transition-matrix-monte-carlo-simulations
#19
JOURNAL ARTICLE
Harold W Hatch, Daniel W Siderius, Jeffrey R Errington, Vincent K Shen
Recent interest in parallelizing flat-histogram transition-matrix Monte Carlo simulations in the grand canonical ensemble, due to its demonstrated effectiveness in studying phase behavior, self-assembly and adsorption, has led to the most extreme case of single-macrostate simulations, where each macrostate is simulated independently with ghost particle insertions and deletions. Despite their use in several studies, no efficiency comparisons of these single-macrostate simulations have been made with multiple-macrostate simulations...
March 28, 2023: Journal of Physical Chemistry. B
https://read.qxmd.com/read/36797969/onset-of-collective-excitations-in-the-transverse-dynamics-of-simple-fluids
#20
JOURNAL ARTICLE
Eleonora Guarini, Martin Neumann, Alessio De Francesco, Ferdinando Formisano, Alessandro Cunsolo, Wouter Montfrooij, Daniele Colognesi, Ubaldo Bafile
A thorough analysis of the transverse current autocorrelation function obtained by molecular dynamics simulations of a dense Lennard-Jones fluid reveals that even such a simple system is characterized by a varied dynamical behavior with changing length scale. By using the exponential expansion theory, we provide a full account of the time correlation at wavevectors Q between the upper boundary of the hydrodynamic region and Q_{p}/2, with Q_{p} being the position of the main peak of the static structure factor...
January 2023: Physical Review. E
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