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https://www.readbyqxmd.com/read/28929240/a-casscf-caspt2-investigation-on-electron-detachments-from-scsi-n-n%C3%A2-%C3%A2-4-6-clusters
#1
Minh Thao Nguyen, Quoc Tri Tran, Van Tan Tran
In this work, the low-lying states of several isomers of ScSi n(-/0) (n = 4-6) were investigated with the B3LYP functional and CASPT2 method. The ground states of the anionic clusters were predicted to be the singlet states of the trigonal bipyramid ScSi4(-) (A-ScSi4(-)), the face-capped trigonal bipyramid ScSi5(-) (A-ScSi5(-)), and the pentagonal bipyramid ScSi6(-) (A-ScSi6(-)) isomer. Based on the anionic ground states, all the relevant electron detachment processes were identified. The corresponding adiabatic and vertical detachment energies (ADEs and VDEs) of the anionic clusters were computed at the CASPT2 level...
September 20, 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28924029/circuitry-linking-the-global-csr-and-%C3%AF-e-dependent-cell-envelope-stress-response-systems
#2
Helen Yakhnin, Robert Aichele, Sarah E Ades, Tony Romeo, Paul Babitzke
CsrA of Escherichia coli is an RNA-binding protein that globally regulates a wide variety of cellular processes and behaviors including carbon metabolism, motility, biofilm formation, and the stringent response. CsrB and CsrC are sRNAs that sequester CsrA, thereby preventing CsrA-mRNA interaction. RpoE (σ(E)) is the extracytoplasmic stress response sigma factor of E. coli Previous RNA-seq studies identified rpoE mRNA as a CsrA target. Here we explored the regulation of rpoE by CsrA and found that CsrA represses rpoE translation...
September 18, 2017: Journal of Bacteriology
https://www.readbyqxmd.com/read/28916391/zika-virus-structural-biology-and-progress-in-vaccine-development
#3
REVIEW
Hsiao-Han Lin, Bak-Sau Yip, Li-Min Huang, Suh-Chin Wu
The growing number of zika virus (ZIKV) infections plus a 20-fold increase in neonatal microcephaly in newborns in Brazil have raised alarms in many countries regarding the threat to pregnant women. Instances of microcephaly and central nervous system malformations continue to increase in ZIKV outbreak regions. ZIKV is a small enveloped positive-strand RNA virus belonging to the Flavivirus genus of the Flaviviridae family. High-resolution ZIKV structures recently identified by cryo-electron microscopy indicate that the overall ZIKV structure is similar to those of other flaviviruses...
September 12, 2017: Biotechnology Advances
https://www.readbyqxmd.com/read/28912359/left-ventricular-strain-rate-is-reduced-during-voluntary-apnea-in-healthy-humans
#4
Joshua R Smith, Shelbi L Sutterfield, Dryden R Baumfalk, Kaylin D Didier, Shane M Hammer, Jacob Troy Caldwell, Carl J Ade
During an apneic event, sympathetic nerve activity increases resulting in subsequent increases in left ventricular afterload and myocardial work. It is unknown how cardiac mechanics are acutely impacted by the increased myocardial work during an apneic event. 10 healthy individuals (23 ± 3 yrs) performed multiple voluntary end-expiratory apnea (VEEA) maneuvers exposed to room air, while a subset (n=7) completed multiple VEEA exposed to hyperoxic air (100% FiO2). Beat-by-beat blood pressure, heart rate and stroke volume were measured continuously...
September 14, 2017: Journal of Applied Physiology
https://www.readbyqxmd.com/read/28900719/the-effects-of-exercise-induced-muscle-damage-on-critical-torque
#5
Marcin K Szczyglowski, Carl J Ade, Jason A Campbell, Christopher D Black
OBJECTIVE: Exercise-induced muscle damage (EIMD) has been shown to reduce endurance exercise performance. This study examined the effects of EIMD on critical torque (CT) and the sum of the torque integral above CT during (∫ T total) during a 5-min all-out, intermittent isometric knee extension exercise. METHODS: CT was determined in eight participants prior to and 48-h following EIMD. EIMD was induced using electrically stimulated eccentric knee extensions until maximal voluntary strength (MVC) was reduced by 40%...
September 12, 2017: European Journal of Applied Physiology
https://www.readbyqxmd.com/read/28884630/fetal-and-placental-dna-stimulation-of-tlr9-a-mechanism-possibly-contributing-to-the-pro-inflammatory-events-during-parturition
#6
Ilona Telefus Goldfarb, Sharareh Adeli, Tucker Berk, Mark Phillippe
INTRODUCTION: While there is evidence for a relationship between cell-free fetal DNA (cffDNA) and parturition, questions remain regarding whether cffDNA could trigger a pro-inflammatory response on the pathway to parturition. We hypothesized that placental and/or fetal DNA stimulates toll-like receptor 9 (TLR9) leading to secretion of pro-inflammatory cytokines by macrophage cells. METHODS: Four in vitro DNA stimulation studies were performed using RAW 264.7 mouse peritoneal macrophage cells incubated in media containing the following DNA particles: an oligodeoxynucleotide (ODN2395), intact genomic DNA (from mouse placentas, fetuses and adult liver), mouse DNA complexed with DOTAP (a cationic liposome forming compound), and telomere-depleted mouse DNA...
January 1, 2017: Reproductive Sciences
https://www.readbyqxmd.com/read/28881485/indices-of-anti-dengue-immunoglobulin-g-subclasses-in-adult-mexican-patients-with-febrile-and-hemorrhagic-dengue-in-the-acute-phase
#7
Araceli Posadas-Mondragón, José Leopoldo Aguilar-Faisal, Adolfo Chávez-Negrete, Edith Guillén-Salomón, Verónica Alcántara-Farfán, Lucero Luna-Rojas, Amanda Marineth Ávila-Trejo, Judith Del Carmen Pacheco-Yépez
Heterologous secondary infections are at increased risk of developing dengue hemorrhagic fever (DHF) due to antibody-dependent enhancement (ADE). The immunoglobulin G (IgG) subclasses can fix and activate complement and bind to Fcɣ receptors. These factors may also play an important role in the development of ADE and thus in the pathogenesis of DHF. The aim of this study was to analyze the indices of anti-dengue IgG subclasses in adult patients with febrile and hemorrhagic dengue in the acute phase. In 2013, we recruited129 patients with dengue fever (DF) and 57 with DHF in Veracruz, Mexico...
September 7, 2017: Microbiology and Immunology
https://www.readbyqxmd.com/read/28873308/monitoring-charge-separation-processes-in-quasi-one-dimensional-organic-crystalline-structures
#8
Adrian Popescu, Robert Younts, Benjamin C Hoffman, Terry McAfee, Daniel B Dougherty, Prof Harald Ade, Kenan Gundogdu, Igor V Bondarev
We perform the transient absorption spectroscopy experiments to investigate the dynamics of the low-energy collective electron-hole excitations inα-copper phthalocyanine thin films. The results are interpreted in terms of the third order nonlinear polarization response function. It is found that initially excited in the molecular plane, the intramolecular Frenkel exciton polarization reorients with time to align along the molecular chain direction to form coupled Frenkel-charge-transfer exciton states, the eigen states of the one-dimensional periodic molecular lattice...
September 5, 2017: Nano Letters
https://www.readbyqxmd.com/read/28873271/association-of-preventable-adverse-drug-events-with-inpatients-length-of-stay-a-propensity-matched-cohort-study
#9
Stefanie Amelung, Andreas D Meid, Michael Nafe, Markus Thalheimer, Torsten Hoppe-Tichy, Walter E Haefeli, Hanna M Seidling
PURPOSE: Using clinical administrative data (CAD) of inpatients, we aimed to identify ICD-10 codes coding for potentially preventable inhospital adverse drug events (ADE) that affect the length of hospital stay (LOS) and thus patient well-being and cost. METHODS: We retrospectively assessed CAD of all inpatient stays in 2012 of a German university hospital. Predefined ICD-10 codes indicating ADE (ADE codes) were further specified based on expert ratings of the ADE mechanism and ADE preventability in clinical routine to particularly identify preventable inhospital ADE...
September 5, 2017: International Journal of Clinical Practice
https://www.readbyqxmd.com/read/28871960/striatal-fast-spiking-interneurons-selectively-modulate-circuit-output-and-are-required-for-habitual-behavior
#10
Justin K O'Hare, Haofang Li, Namsoo Kim, Erin Gaidis, Kristen Ade, Jeff Beck, Henry Yin, Nicole Calakos
Habit formation is a behavioral adaptation that automates routine actions. Habitual behavior correlates with broad reconfigurations of dorsolateral striatal (DLS) circuit properties that increase gain and shift pathway timing. The mechanism(s) for these circuit adaptations are unknown and could be responsible for habitual behavior. Here we find that a single class of interneuron, fast-spiking interneurons (FSIs), modulates all of these habit-predictive properties. Consistent with a role in habits, FSIs are more excitable in habitual mice compared to goal-directed and acute chemogenetic inhibition of FSIs in DLS prevents the expression of habitual lever pressing...
September 5, 2017: ELife
https://www.readbyqxmd.com/read/28871436/the-prevalence-of-medication-related-adverse-events-in-inpatients-a-systematic-review-and-meta-analysis
#11
REVIEW
Outi Laatikainen, J Miettunen, S Sneck, H Lehtiniemi, O Tenhunen, M Turpeinen
PURPOSE: Adverse drug events (ADEs) have been internationally recognized as a major threat to patient safety. The purpose of this study was to conduct a meta-analysis focusing on inpatient ADEs in the Western World to provide better estimate of the current state of medication safety in these countries. METHODS: The studies for meta-analysis were identified through electronic search in Cochrane, Scopus, Medline, and Web of science databases. Included articles focused on adult inpatient ADEs, had commonly accepted definition for ADE, and were conducted between 2000 and 2016...
September 5, 2017: European Journal of Clinical Pharmacology
https://www.readbyqxmd.com/read/28870166/injurious-falls-and-subsequent-adverse-drug-events-among-elderly-a-swedish-population-based-matched-case-control-study
#12
C Rausch, L Laflamme, S E de Rooij, U Bültmann, J Möller
BACKGROUND: Fall injuries are stressful and painful and they have a range of serious consequences for older people. While there is some clinical evidence of unintentional poisoning by medication following a severe fall injuries, population-based studies on that association are lacking. This is investigated in the current study, in which attention is also paid to different clinical conditions of the injured patients. METHODS: We conducted a matched case-control study of Swedish residents 60 years and older from various Swedish population-based registers...
September 4, 2017: BMC Geriatrics
https://www.readbyqxmd.com/read/28845200/nature-inspired-chemical-reaction-optimisation-algorithms
#13
REVIEW
Nazmul Siddique, Hojjat Adeli
Nature-inspired meta-heuristic algorithms have dominated the scientific literature in the areas of machine learning and cognitive computing paradigm in the last three decades. Chemical reaction optimisation (CRO) is a population-based meta-heuristic algorithm based on the principles of chemical reaction. A chemical reaction is seen as a process of transforming the reactants (or molecules) through a sequence of reactions into products. This process of transformation is implemented in the CRO algorithm to solve optimisation problems...
2017: Cognitive Computation
https://www.readbyqxmd.com/read/28836363/improving-pharmacotherapy-outcomes-in-patients-with-hepatitis-c-virus-infection-treated-with-direct-acting-antivirals-the-gruvic-project
#14
Esther Chamorro-de-Vega, Carmen Guadalupe Rodriguez-Gonzalez, Alvaro Gimenez-Manzorro, Ana de Lorenzo-Pinto, Irene Iglesias-Peinado, Ana Herranz, Maria Sanjurjo
BACKGROUND/OBJECTIVE: Pharmaceutical care is needed in hepatitis C virus (HCV)-infected patients treated with direct-acting antivirals (DAA). We describe the implementation of a comprehensive pharmaceutical care programme (CPCP) for HCV-infected patients treated with DAA in a tertiary-care hospital and provide data about health outcomes and costs. METHODS: Quasi-experimental study between 1 April 2015 and 30 June 2016. A group of hospital pharmacists collaborating on HCV infection implemented interventional measures for validation of drug prescriptions, detection of clinically relevant drug-drug interactions and adverse drug events (ADEs), and patient education...
August 2017: International Journal of Clinical Practice
https://www.readbyqxmd.com/read/28835931/t-cell-responses-in-individuals-infected-with-zika-virus-and-in-those-vaccinated-against-dengue-virus
#15
Dominic Paquin-Proulx, Fabio E Leal, Cassia G Terrassani Silveira, Alvino Maestri, Claudia Brockmeyer, Shannon M Kitchen, Vinicius D Cabido, Esper G Kallas, Douglas F Nixon
BACKGROUND: The outbreak of Zika virus (ZIKV) infection in Brazil has raised concerns that infection during pregnancy could cause microcephaly and other severe neurodevelopmental malformations in the fetus. The mechanisms by which ZIKV causes fetal abnormalities are largely unknown. The importance of pre-infection with dengue virus (DENV), or other flaviviruses endemic to Brazil, remains to be investigated. It has been reported that antibodies directed against DENV can increase ZIKV infectivity by antibody dependent enhancement (ADE), suggesting that a history of prior DENV infection might worsen the outcome of ZIKV infection...
2017: Pathogens & Immunity
https://www.readbyqxmd.com/read/28834903/the-cost-saving-effect-and-prevention-of-medication-errors-by-clinical-pharmacist-intervention-in-a-nephrology-unit
#16
Chia-Chi Chen, Fei-Yuan Hsiao, Li-Jiuan Shen, Chien-Chih Wu
Medication errors may lead to adverse drug events (ADEs), which endangers patient safety and increases healthcare-related costs. The on-ward deployment of clinical pharmacists has been shown to reduce preventable ADEs, and save costs. The purpose of this study was to evaluate the ADEs prevention and cost-saving effects by clinical pharmacist deployment in a nephrology ward.This was a retrospective study, which compared the number of pharmacist interventions 1 year before and after a clinical pharmacist was deployed in a nephrology ward...
August 2017: Medicine (Baltimore)
https://www.readbyqxmd.com/read/28832067/comparison-of-overridden-medication-related-clinical-decision-support-in-the-intensive-care-unit-between-a-commercial-system-and-a-legacy-system
#17
Adrian Wong, Adam Wright, Diane L Seger, Mary G Amato, Julie M Fiskio, David Bates
BACKGROUND: Electronic health records (EHRs) with clinical decision support (CDS) have shown to be effective at improving patient safety. Despite this, alerts delivered as part of CDS are overridden frequently, which is of concern in the critical care population as this group may have an increased risk of harm. Our organization recently transitioned from an internally-developed EHR to a commercial system. Data comparing various EHR systems, especially after transitions between EHRs, are needed to identify areas for improvement...
August 23, 2017: Applied Clinical Informatics
https://www.readbyqxmd.com/read/28830518/discovering-associations-between-adverse-drug-events-using-pattern-structures-and-ontologies
#18
Gabin Personeni, Emmanuel Bresso, Marie-Dominique Devignes, Michel Dumontier, Malika Smaïl-Tabbone, Adrien Coulet
BACKGROUND: Patient data, such as electronic health records or adverse event reporting systems, constitute an essential resource for studying Adverse Drug Events (ADEs). We explore an original approach to identify frequently associated ADEs in subgroups of patients. RESULTS: Because ADEs have complex manifestations, we use formal concept analysis and its pattern structures, a mathematical framework that allows generalization using domain knowledge formalized in medical ontologies...
August 22, 2017: Journal of Biomedical Semantics
https://www.readbyqxmd.com/read/28830415/anti-cancer-effects-of-ajwa-dates-phoenix-dactylifera-l-in-diethylnitrosamine-induced-hepatocellular-carcinoma-in-wistar-rats
#19
Fazal Khan, Tariq Jamal Khan, Gauthaman Kalamegam, Peter Natesan Pushparaj, Adeel Chaudhary, Adel Abuzenadah, Taha Kumosani, Elie Barbour, Mohammed Al-Qahtani
BACKGROUND: Hepatocellular carcinoma (HCC) accounts for major cancer-related deaths despite current advanced therapies. Treatment and prognosis of HCC is better in patients with preserved liver function. Many natural products including ajwa dates (Phoenix dactylifera L.), are claimed to have hepatoprotective and HCC inhibitory effects, but most lack scientific validation. To prove our hypothesis, we attempted to evaluate the HCC inhibitory effects, and other beneficial properties of the aqueous extract of ajwa dates (ADE) in a rat model of diethylnitrosamine (DEN) induced liver cancer...
August 22, 2017: BMC Complementary and Alternative Medicine
https://www.readbyqxmd.com/read/28823018/prevalence-and-nature-of-potential-drug-drug-interactions-among-kidney-transplant-patients-in-a-german-intensive-care-unit
#20
Julia Amkreutz, Alexander Koch, Lukas Buendgens, Anja Muehlfeld, Christian Trautwein, Albrecht Eisert
Background Complex polypharmacotherapy makes kidney transplant patients vulnerable to drug-drug interactions (DDIs). Objective To study prevalence and nature of potential DDIs (pDDIs) in kidney transplant patients. Setting Internal medicine ICU, University Hospital RWTH Aachen. Method In this retrospective observational study, pDDIs were identified in the first week after transplant from 1999 to 2010. Patients aged at least 18 years with prescription of at least two drugs were included. Patients with incomplete data were excluded...
August 19, 2017: International Journal of Clinical Pharmacy
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