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https://www.readbyqxmd.com/read/28104277/microcirculatory-monitoring-in-septic-patients-where-do-we-stand
#1
G Gruartmoner, J Mesquida, C Ince
Microcirculatory alterations play a pivotal role in sepsis-related morbidity and mortality. However, since the microcirculation has been a "black box", current hemodynamic management of septic patients is still guided by macrocirculatory parameters. In the last decades, the development of several technologies has shed some light on microcirculatory evaluation and monitoring, and the possibility of incorporating microcirculatory variables to clinical practice no longer seems to be beyond reach. The present review provides a brief summary of the current technologies for microcirculatory evaluation, and attempts to explore the potential role and benefits of their integration to the resuscitation process in critically ill septic patients...
January 16, 2017: Medicina Intensiva
https://www.readbyqxmd.com/read/28095475/the-influence-of-community-health-resources-on-effectiveness-and-sustainability-of-community-and-lay-health-worker-programs-in-lower-income-countries-a-systematic-review
#2
Daniel H de Vries, Robert Pool
BACKGROUND: Despite the availability of practical knowledge and effective interventions required to reduce priority health problems in low-income countries, poor and vulnerable populations are often not reached. One possible solution to this problem is the use of Community or Lay Health Workers (CLHWs). So far, however, the development of sustainability in CLHW programs has failed and high attrition rates continue to pose a challenge. We propose that the roles and interests which support community health work should emerge directly from the way in which health is organized at community level...
2017: PloS One
https://www.readbyqxmd.com/read/28093058/off-label-prescribing-of-psychotropic-medication-2005-2013-an-examination-of-potential-influences
#3
Peggy L O'Brien, Nicholas Cummings, Tami L Mark
OBJECTIVE: This study examined rates of psychotropic prescriptions for various on- and off-label uses in 2005 and 2013 in the context of changes in labeled indications. METHODS: The National Disease and Therapeutic Index, a survey of nationally representative office-based physicians that identifies the diagnosis attached to each prescription, was used to capture the number of psychiatric medications prescribed for a particular diagnosis in 2005 (N=4,120) and 2013 (N=4,140)...
January 17, 2017: Psychiatric Services: a Journal of the American Psychiatric Association
https://www.readbyqxmd.com/read/28068773/truncated-conjugate-gradient-an-optimal-strategy-for-the-analytical-evaluation-of-the-many-body-polarization-energy-and-forces-in-molecular-simulations
#4
Félix Aviat, Antoine Levitt, Benjamin Stamm, Yvon Maday, Pengyu Ren, Jay W Ponder, Louis Lagardère, Jean-Philip Piquemal
We introduce a new class of methods, denoted as Truncated Conjugate Gradient(TCG), to solve the many-body polarization energy and its associated forces in molecular simulations (i.e. molecular dynamics (MD) and Monte Carlo). The method consists in a fixed number of Conjugate Gradient (CG) iterations. TCG approaches provide a scalable solution to the polarization problem at a user-chosen cost and a corresponding optimal accuracy. The optimality of the CG-method guarantees that the number of the required matrix-vector products are reduced to a minimum compared to other iterative methods...
January 10, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28060499/correlating-reactivity-and-selectivity-to-cyclopentadienyl-ligand-properties-in-rh-iii-catalyzed-c-h-activation-reactions-an-experimental-and-computational-study
#5
Tiffany Piou, Fedor Romanov-Michailidis, Maria Romanova-Michaelides, Kelvin E Jackson, Natthawat Semakul, Trevor D Taggart, Brian S Newell, Christopher D Rithner, Robert S Paton, Tomislav Rovis
Cp(X)Rh(III)-catalyzed C-H functionalization reactions are a proven method for the efficient assembly of small molecules. However, rationalization of the effects of cyclopentadienyl (Cp(X)) ligand structure on reaction rate and selectivity has been viewed as a black box, and a truly systematic study is lacking. Consequently, predicting the outcomes of these reactions is challenging because subtle variations in ligand structure can cause notable changes in reaction behavior. A predictive tool is, nonetheless, of considerable value to the community as it would greatly accelerate reaction development...
January 6, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28060221/valproic-acid-special-considerations-and-targeted-monitoring
#6
Angela Collins-Yoder, Jordan Lowell
Valproic acid (VPA) is a medication used to treat multiple neuroscience conditions. It is an inexpensive and useful medication, with a low incidence of adverse drug events. Nonetheless, optimal clinical outcomes require that a series of screening and laboratory steps be followed before the initiation of VPA therapy. An additional aspect of pharmacovigilance is to recognize clinical patterns signaling genetic traits that preclude VPA, background of the black box warnings, targeted assessments, and laboratory monitoring indicated while on VPA...
February 2017: Journal of Neuroscience Nursing: Journal of the American Association of Neuroscience Nurses
https://www.readbyqxmd.com/read/28048428/su-f-t-540-comprehensive-fluence-delivery-optimization-with-multileaf-collimation
#7
S Weppler, P McGeachy, J Villarreal-Barajas, R Khan
PURPOSE: Multileaf collimator (MLC) leaf sequencing is performed via commercial black-box implementations, on which a user has limited to no access. We have developed an explicit, generic MLC sequencing model to serve as a tool for future investigations of fluence map optimization, fluence delivery optimization, and rotational collimator delivery methods. METHODS: We have developed a novel, comprehensive model to effectively account for a variety of transmission and penumbra effects previously treated on an ad hoc basis in the literature...
June 2016: Medical Physics
https://www.readbyqxmd.com/read/28048340/su-f-j-190-time-resolved-range-measurement-system-using-scintillator-and-ccd-camera-for-the-slow-beam-extraction
#8
N Saotome, T Furukawa, K Mizushima, E Takeshita, Y Hara, Y Saraya, R Tansho, T Shirai, K Noda
PURPOSE: To investigate the time structure of the range, we have verified the rang shift due to the betatron tune shift with several synchrotron parameters. METHODS: A cylindrical plastic scintillator block and a CCD camera were installed on the black box. Using image processing, the range was determined the 80 percent of distal dose of the depth light distribution. The root mean square error of the range measurement using the scintillator and CCD system is about 0...
June 2016: Medical Physics
https://www.readbyqxmd.com/read/28044423/shedding-light-on-the-black-box-models-of-the-cell
#9
Jose Ignacio Jiménez
No abstract text is available yet for this article.
January 3, 2017: Microbial Biotechnology
https://www.readbyqxmd.com/read/28039012/personalized-glucose-insulin-model-based-on-signal-analysis
#10
Simon L Goede, Bastiaan E de Galan, Melvin Khee Shing Leow
Glucose plasma measurements for diabetes patients are generally presented as a glucose concentration-time profile with 15-60min time scale intervals. This limited resolution obscures detailed dynamic events of glucose appearance and metabolism. Measurement intervals of 15minutes or more could contribute to imperfections in present diabetes treatment. High resolution data from mixed meal tolerance tests (MMTT) for 24 type 1 and type 2 diabetes patients were used in our present modelling. We introduce a model based on the physiological properties of transport, storage and utilization...
December 27, 2016: Journal of Theoretical Biology
https://www.readbyqxmd.com/read/28032955/modeling-tanimoto-similarity-value-distributions-and-predicting-search-results
#11
Martin Vogt, Jürgen Bajorath
Similarity searching using molecular fingerprints has a long history in chemoinformatics and continues to be a popular approach for virtual screening. Typically, known active reference molecules are used to search databases for new active compounds. However, this search has black box character because similarity value distributions are dependent on fingerprints and compound classes. Consequently, no generally applicable similarity threshold values are available as reliable indicators of activity relationships between reference and database compounds...
December 29, 2016: Molecular Informatics
https://www.readbyqxmd.com/read/28032146/effects-of-31-fda-approved-small-molecule-kinase-inhibitors-on-isolated-rat-liver-mitochondria
#12
Jun Zhang, Alec Salminen, Xi Yang, Yong Luo, Qiangen Wu, Matthew White, James Greenhaw, Lijun Ren, Matthew Bryant, William Salminen, Thomas Papoian, William Mattes, Qiang Shi
The FDA has approved 31 small-molecule kinase inhibitors (KIs) for human use as of November 2016, with six having black box warnings for hepatotoxicity (BBW-H) in product labeling. The precise mechanisms and risk factors for KI-induced hepatotoxicity are poorly understood. Here, the 31 KIs were tested in isolated rat liver mitochondria, an in vitro system recently proposed to be a useful tool to predict drug-induced hepatotoxicity in humans. The KIs were incubated with mitochondria or submitochondrial particles at concentrations ranging from therapeutic maximal blood concentrations (Cmax) levels to 100-fold Cmax levels...
December 28, 2016: Archives of Toxicology
https://www.readbyqxmd.com/read/28026846/vascular-anatomy-of-the-thenar-eminence-its-relevance-to-a-pedicled-or-free-thenar-flap
#13
Ana Zekavica, Milan Milisavljević, Dražan Erić, Branislava Ćurčić, Sunčica Popović, Biljana Vitošević, Aleksandra Dožić, Bojan Štimec, Radovan Manojlović
BACKGROUND: The aim of this study was to clarify the arterial supply of the skin covering the prominent part of the thenar eminence in order to describe the possibility and potential for harvesting a pedicled or a free flap from the thenar eminence. MATERIALS AND METHODS: The arteries were studied in 30 post-mortem specimens of human hands; 3 previously perfused with 4% formaldehyde solution, and injected with black India ink, and 27 injected with methyl-methacrylate and afterwards corroded in 40% potassium hydroxide solution...
December 27, 2016: Folia Morphologica (Warsz)
https://www.readbyqxmd.com/read/28025004/mitigation-of-reactive-metabolite-formation-for-a-series-of-3-amino-2-pyridone-inhibitors-of-bruton-s-tyrosine-kinase-btk
#14
Yan Lou, Francisco Lopez, Yongying Jiang, Xiaochun Han, Chris Brotherton, Roland Billedeau, Steve Gabriel, Shelly Gleason, David M Goldstein, Ramona Hilgenkamp, Buelent Kocer, Lucja Orzechowski, Jenny Tan, Peter Wovkulich, Bo Wen, David Fry, Paola Di Lello, Lucy Chen, Fang-Jie Zhang, Jennifer Fretland, Anjali Nangia, Tian Yang, Timothy D Owens
Reactive metabolites have been putatively linked to many adverse drug reactions including idiosyncratic toxicities for a number of drugs with black box warnings or withdrawn from the market. Therefore, it is desirable to minimize the risk of reactive metabolite formation for lead molecules in optimization, in particular for non-life threatening chronic disease, to maximize benefit to risk ratio. This article describes our effort in addressing reactive metabolite issues for a series of 3-amino-2-pyridone inhibitors of BTK, e...
December 2, 2016: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28024401/beyond-rotatable-bond-counts-capturing-3d-conformational-flexibility-in-a-single-descriptor
#15
Jerome G P Wicker, Richard I Cooper
A new molecular descriptor, nConf20, based on chemical connectivity, is presented which captures the accessible conformational space of a molecule. Currently the best available two-dimensional descriptors for quantifying the flexibility of a particular molecule are the rotatable bond count (RBC) and the Kier flexibility index. We present a descriptor which captures this information by sampling the conformational space of a molecule using the RDKit conformer generator. Flexibility has previously been identified as a key feature in determining whether a molecule is likely to crystallize or not...
December 27, 2016: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28010093/perturbative-triples-correction-for-local-pair-natural-orbital-based-explicitly-correlated-ccsd-f12-using-laplace-transformation-techniques
#16
Gunnar Schmitz, Christof Hättig
We present an implementation of pair natural orbital coupled cluster singles and doubles with perturbative triples, PNO-CCSD(T), which avoids the quasi-canonical triples approximation (T0) where couplings due to off-diagonal Fock matrix elements are neglected. A numerical Laplace transformation of the canonical expression for the perturbative (T) triples correction is used to avoid an I/O and storage bottleneck for the triples amplitudes. Results for a test set of reaction energies show that only very few Laplace grid points are needed to obtain converged energy differences and that PNO-CCSD(T) is a more robust approximation than PNO-CCSD(T0) with a reduced mean absolute deviation from canonical CCSD(T) results...
December 21, 2016: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28007085/deciphering-the-black-box-of-food-allergy-mechanisms
#17
REVIEW
Vanitha Sampath, Dana Tupa, Michelle Toft Graham, Talal A Chatila, Jonathan M Spergel, Kari C Nadeau
OBJECTIVE: To review our current understanding of immunotherapy, the immune mechanisms underlying food allergy, and the methodological advances that are furthering our understanding of the role of immune cells and other molecules in mediating food allergies. DATA SOURCES: Literature searches were performed using the following combination of terms: allergy, immunotherapy, food, and mechanisms. Data from randomized clinical studies using state-of-the-art mechanistic tools were prioritized...
January 2017: Annals of Allergy, Asthma & Immunology
https://www.readbyqxmd.com/read/28000131/transcranial-doppler-monitoring-of-intracranial-pressure-plateau-waves
#18
Danilo Cardim, Bernhard Schmidt, Chiara Robba, Joseph Donnelly, Corina Puppo, Marek Czosnyka, Peter Smielewski
BACKGROUND: Transcranial Doppler (TCD) has been used to estimate ICP noninvasively (nICP); however, its accuracy varies depending on different types of intracranial hypertension. Given the high specificity of TCD to detect cerebrovascular events, this study aimed to compare four TCD-based nICP methods during plateau waves of ICP. METHODS: A total of 36 plateau waves were identified in 27 patients (traumatic brain injury) with TCD, ICP, and ABP simultaneous recordings...
December 20, 2016: Neurocritical Care
https://www.readbyqxmd.com/read/27997407/a-black-box-model-for-generation-of-site-specific-wwtp-influent-quality-data-based-on-plant-routine-data
#19
Markus Ahnert, Conrad Marx, Peter Krebs, Volker Kuehn
This paper presents a simple method for the generation of continuous influent quality datasets for wastewater treatment plants (WWTPs) that is based on incomplete available routine data, only, without referring to any further measurement. In the approach, Weibull-distributed random data are fitted to the available routine data, such that the resulting distribution of influent quality data shows the identical statistical characteristics. Beside the description of the method, this paper contains a comprehensive analysis of robustness and universality of the approach...
December 2016: Water Science and Technology: a Journal of the International Association on Water Pollution Research
https://www.readbyqxmd.com/read/27992117/like-or-dislike-response-of-rodents-to-the-odor-of-plant-secondary-metabolites
#20
Sabine C Hansen, Caroline Stolter, Christian Imholt, Jens Jacob
Rodents, including common voles (Microtus arvalis Pallas, 1778) and house mice (Mus musculus Linnaeus, 1758) cause immense pre- and post-harvest losses. Therefore, developing methods that mitigate these losses while maintaining their role in ecosystems is a priority. Several plant secondary metabolites (PSMs) which significantly reduce food intake of both species under laboratory conditions have been identified. However before these can be used in rodent pest management, they must be tested under more natural conditions where other food sources are available...
December 19, 2016: Integrative Zoology
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