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https://www.readbyqxmd.com/read/29751986/delirium-after-cardiac-surgery-incidence-phenotypes-predisposing-and-precipitating-risk-factors-and-effects
#1
Gianfranco Sanson, Yuliya Khlopenyuk, Sara Milocco, Massimiliano Sartori, Lorella Dreas, Adam Fabiani
BACKGROUND: In cardiac surgical patients little is known about different phenotypes of delirium and how the symptoms fluctuate over time. OBJECTIVES: Evaluate risk factors, incidence, fluctuations, phenotypic characteristics and impact on patients' outcomes of delirium. METHODS: Prospective longitudinal study. In postoperative intensive care unit 199 patient were assessed three-times a day through an adapted versions of the Intensive Care Delirium Screening Checklist...
May 8, 2018: Heart & Lung: the Journal of Critical Care
https://www.readbyqxmd.com/read/29744489/using-1-h-and-13-c-nmr-chemical-shifts-to-determine-cyclic-peptide-conformations-a-combined-molecular-dynamics-and-quantum-mechanics-approach
#2
Q Nhu N Nguyen, Joshua Schwochert, Dean J Tantillo, R Scott Lokey
Solving conformations of cyclic peptides can provide insight into structure-activity and structure-property relationships, which can help in the design of compounds with improved bioactivity and/or ADME characteristics. The most common approaches for determining the structures of cyclic peptides are based on NMR-derived distance restraints obtained from NOESY or ROESY cross-peak intensities, and 3J-based dihedral restraints using the Karplus relationship. Unfortunately, these observables are often too weak, sparse, or degenerate to provide unequivocal, high-confidence solution structures, prompting us to investigate an alternative approach that relies only on 1H and 13C chemical shifts as experimental observables...
May 10, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29737196/changing-characteristics-of-a-psychiatric-emergency-care-centre-an-eight-year-follow-up-study
#3
Joanne Seymour, Tristan Chapman, Vladan Starcevic, Kirupamani Viswasam, Vlasios Brakoulias
OBJECTIVE: The objective of this study was to report changes in characteristics of admissions to an established Psychiatric Emergency Care Centre (PECC) eight years after its opening. METHOD: Key clinical characteristics of admissions to the PECC were documented for 327 patients in 2015 and compared with the 477 patients in 2007, which is when the centre first opened. The characteristics of admission were evaluated using an audit of medical records from June to December in both 2007 and 2015...
May 1, 2018: Australasian Psychiatry: Bulletin of Royal Australian and New Zealand College of Psychiatrists
https://www.readbyqxmd.com/read/29716229/free-energy-study-of-h-2-o-n-2-o-5-so-2-and-o-3-gas-sorption-by-water-droplets-slabs
#4
Wentao Li, Chi Yuen Pak, Ying-Lung Steve Tse
Understanding gas sorption by water in the atmosphere is an active research area because the gases can significantly alter the radiation and chemical properties of the atmosphere. We attempt to elucidate the molecular details of the gas sorption of water and three common atmospheric gases (N2 O5 , SO2 , and O3 ) by water droplets/slabs in molecular dynamics simulations. The system size effects are investigated, and we show that the calculated solvation free energy decreases linearly as a function of the reciprocal of the number of water molecules from 1/215 to 1/1000 in both the slab and the droplet systems...
April 28, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29698262/report-nursing-homes-are-overmedicating-people-with-dementia
#5
Serena Stockwell
Laws against such 'chemical restraints' aren't being enforced.
May 2018: American Journal of Nursing
https://www.readbyqxmd.com/read/29678776/comparison-of-the-3d-structures-of-mouse-and-human-%C3%AE-synuclein-fibrils-by-solid-state-nmr-and-stem
#6
Songhwan Hwang, Pascal Fricke, Maximilian Zinke, Karin Giller, Joseph S Wall, Dietmar Riedel, Stefan Becker, Adam Lange
Intra-neuronal aggregation of α-synuclein into fibrils is the molecular basis for α -synucleinopathies, such as Parkinson's disease. The atomic structure of human α -synuclein (hAS) fibrils was recently determined by Tuttle et al. using solid-state NMR (ssNMR). The previous study found that hAS fibrils are composed of a single protofilament. Here, we have investigated the structure of mouse α -synuclein (mAS) fibrils by STEM and isotope-dilution ssNMR experiments. We found that in contrast to hAS, mAS fibrils consist of two or even three protofilaments which are connected by rather weak interactions in between them...
April 17, 2018: Journal of Structural Biology
https://www.readbyqxmd.com/read/29655685/polygonum-aviculare-l-extract-reduces-fatigue-by-inhibiting-neuroinflammation-in-restraint-stressed-mice
#7
Sun Haeng Park, Seol Jang, Eunjung Son, Si Woo Lee, Sun Dong Park, Yoon-Young Sung, Ho Kyoung Kim
BACKGROUND: Chronic fatigue patients experience various neuropsychological symptoms, including fatigue behaviors, chronic pain, and depression. They also display immune system dysregulation. Polygonum aviculare L. extract (PAE) is a traditional herbal medicine used to treat inflammatory diseases by reportedly decreasing pro-inflammatory cytokine production. HYPOTHESIS/PURPOSE: We hypothesized that the anti-inflammatory properties of PAE would attenuate fatigue symptoms in a mouse model of restraint stress...
March 15, 2018: Phytomedicine: International Journal of Phytotherapy and Phytopharmacology
https://www.readbyqxmd.com/read/29608114/prolonged-toxicity-from-kambo-cleansing-ritual
#8
Kai Li, Howard Horng, Kara Lynch, Craig G Smollin
CONTEXT: Kambo cleanse is a purification, cleansing ritual traditionally performed by South American shaman to confer luck and health to hunters. CASE DETAILS: We report a patient who presented to the emergency department with prolonged symptoms of vomiting, flushing, facial swelling, altered mental status, and agitation requiring chemical restraints, 22 h after a Kambo cleanse. The patient was found with four small, circular, superficial burns to the ankle at the site where the resin was introduced...
April 2, 2018: Clinical Toxicology
https://www.readbyqxmd.com/read/29606621/chemical-tick-control-practices-in-southwestern-and-northwestern-uganda
#9
Patrick Vudriko, James Okwee-Acai, Joseph Byaruhanga, Dickson Stuart Tayebwa, Samuel George Okech, Robert Tweyongyere, Eddie M Wampande, Anna Rose Ademun Okurut, Kenneth Mugabi, Jeanne Bukeka Muhindo, Jesca Lukanga Nakavuma, Rika Umemiya-Shirafuji, Xuenan Xuan, Hiroshi Suzuki
Tick acaricide failure is one of the leading challenges to cattle production in Uganda. To gain an understanding into the possible drivers of acaricide failure, this study characterized the current chemical tick control practices in the southwestern (Mbarara, Mitooma and Rukungiri districts) and northwestern (Adjumani district) regions of Uganda. A total of 85 farms participated in a survey that utilized a semi-structured questionnaire. Moreover, ticks were collected to determine the most common species on the farms...
March 15, 2018: Ticks and Tick-borne Diseases
https://www.readbyqxmd.com/read/29570275/structural-characterization-of-a-heparan-sulfate-pentamer-interacting-with-lar-ig1-2
#10
Qi Gao, Jeong-Yeh Yang, Kelley W Moremen, John G Flanagan, James H Prestegard
Leukocyte common antigen-related (LAR) protein is one of the type IIa receptor protein tyrosine phosphatases (RPTPs), which are important for signal transduction in biological processes including axon growth and regeneration. Glycosaminoglycan chains, including heparan sulfate (HS) and chondroitin sulfate (CS), act as ligands that regulate LAR signaling. Here, we report the structural characterization of the first two immunoglobulin domains (Ig1-2) of LAR interacting with an HS pentasaccharide (GlcNS6S-GlcA-GlcNS3,6S-IdoA2S-GlcNS6S-OME, fondaparinux) using multiple solution-based NMR methods...
March 23, 2018: Biochemistry
https://www.readbyqxmd.com/read/29544287/quantum-mechanical-free-energy-profiles-with-post-quantization-restraints-binding-free-energy-of-the-water-dimer-over-a-broad-range-of-temperatures
#11
Kevin P Bishop, Pierre-Nicholas Roy
Free energy calculations are a crucial part of understanding chemical systems but are often computationally expensive for all but the simplest of systems. Various enhanced sampling techniques have been developed to improve the efficiency of these calculations in numerical simulations. However, the majority of these approaches have been applied using classical molecular dynamics. There are many situations where nuclear quantum effects impact the system of interest and a classical description fails to capture these details...
March 14, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29533229/overview-of-refinement-procedures-within-refmac5-utilizing-data-from-different-sources
#12
Oleg Kovalevskiy, Robert A Nicholls, Fei Long, Azzurra Carlon, Garib N Murshudov
Refinement is a process that involves bringing into agreement the structural model, available prior knowledge and experimental data. To achieve this, the refinement procedure optimizes a posterior conditional probability distribution of model parameters, including atomic coordinates, atomic displacement parameters (B factors), scale factors, parameters of the solvent model and twin fractions in the case of twinned crystals, given observed data such as observed amplitudes or intensities of structure factors...
March 1, 2018: Acta Crystallographica. Section D, Structural Biology
https://www.readbyqxmd.com/read/29488891/-restraints-in-greek-mental-health-services-ethics-practice-and-costs
#13
G Alevizopoulos, V Bozikas, C Touloumis
The use of physical and mechanical restraints in mental health services in Greece arise many ethical and practical issues. The justification of the use of such procedures is rather controversial and subjective to scientific debate. The practice of restraint puts both patients and staff at risk for injury and death. Moreover, restraints can be traumatic even when they do not result in any physical injury to the patient. The types of the physical adverse events include dehydration, suffocation, circulation disturbances, skin problems, loss of strength and mobility, incontinence, etc...
October 2017: Psychiatrikē, Psychiatriki
https://www.readbyqxmd.com/read/29454881/curcumin-treatment-leads-to-better-cognitive-and-mood-function-in-a-model-of-gulf-war-illness-with-enhanced-neurogenesis-and-alleviation-of-inflammation-and-mitochondrial-dysfunction-in-the-hippocampus
#14
M Kodali, B Hattiangady, G A Shetty, A Bates, B Shuai, A K Shetty
Diminished cognitive and mood function are among the most conspicuous symptoms of Gulf War Illness (GWI). Our previous studies in a rat model of GWI have demonstrated that persistent cognitive and mood impairments are associated with substantially declined neurogenesis, chronic low-grade inflammation, increased oxidative stress and mitochondrial dysfunction in the hippocampus. We tested the efficacy of curcumin (CUR) to maintain better cognitive and mood function in a rat model of GWI because of its neurogenic, antiinflammatory, antioxidant, and memory and mood enhancing properties...
March 2018: Brain, Behavior, and Immunity
https://www.readbyqxmd.com/read/29410279/structurefold2-bringing-chemical-probing-data-into-the-computational-fold-of-rna-structural-analysis
#15
David C Tack, Yin Tang, Laura E Ritchey, Sarah M Assmann, Philip C Bevilacqua
The secondary structure of an RNA is often implicit to its function. Recently, various high-throughput RNA structure probing techniques have been developed to elucidate important RNA structure-function relationships genome-wide. These techniques produce unwieldy experimental data sets that require evaluation with unique computational pipelines. Herein, we present StructureFold2, a user-friendly set of analysis tools that makes precise data processing and detailed downstream analyses of such data sets both available and practical...
February 2, 2018: Methods: a Companion to Methods in Enzymology
https://www.readbyqxmd.com/read/29386251/use-of-radiography-in-small-animal-practice-in-the-uk-and-republic-of-ireland-in-2013
#16
Naomi J Booth, Samuel J Morley, Richard S Ewers
Radiography is an essential diagnostic tool in small animal practice. A major transition is currently underway from film screen to digital systems. However, there is limited published research detailing the use of radiography in practices in the UK and Republic of Ireland (ROI). The study aimed to describe the uptake of digital radiographic systems, wider aspects of radiographic practice and use of other diagnostic imaging techniques in the UK and ROI. This is a cross-sectional study using paper and online questionnaires...
February 24, 2018: Veterinary Record
https://www.readbyqxmd.com/read/29383828/investigating-energy-based-pool-structure-selection-in-the-structure-ensemble-modeling-with-experimental-distance-constraints-the-example-from-a-multidomain-protein-pub1
#17
Guanhua Zhu, Wei Liu, Chenglong Bao, Dudu Tong, Hui Ji, Zuowei Shen, Daiwen Yang, Lanyuan Lu
The structural variations of multidomain proteins with flexible parts mediate many biological processes, and a structure ensemble can be determined by selecting a weighted combination of representative structures from a simulated structure pool, producing the best fit to experimental constraints such as interatomic distance. In this study, a hybrid structure-based and physics-based atomistic force field with an efficient sampling strategy is adopted to simulate a model di-domain protein against experimental paramagnetic relaxation enhancement (PRE) data that correspond to distance constraints...
May 2018: Proteins
https://www.readbyqxmd.com/read/29370096/accurate-estimation-of-the-standard-binding-free-energy-of-netropsin-with-dna
#18
Hong Zhang, Hugo Gattuso, Elise Dumont, Wensheng Cai, Antonio Monari, Christophe Chipot, François Dehez
DNA is the target of chemical compounds (drugs, pollutants, photosensitizers, etc.), which bind through non-covalent interactions. Depending on their structure and their chemical properties, DNA binders can associate to the minor or to the major groove of double-stranded DNA. They can also intercalate between two adjacent base pairs, or even replace one or two base pairs within the DNA double helix. The subsequent biological effects are strongly dependent on the architecture of the binding motif. Discriminating between the different binding patterns is of paramount importance to predict and rationalize the effect of a given compound on DNA...
January 25, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/29329403/host-tree-selection-by-the-invasive-argentine-ant-hymenoptera-formicidae-in-relation-to-honeydew-producing-insects
#19
Yugo Seko, Daisuke Hayasaka, Atsushi Nishino, Taizo Uchida, Francisco Sánchez-Bayo, Takuo Sawahata
The Argentine ant, Linepithema humile (Mayr; Hymenoptera: Formicidae), is one of the world's most hazardous invasive species, and thus its eradication from Japan is important. Physical and chemical controls can be expensive and cause strong adverse effects on local terrestrial ecosystems regardless of their high efficacy. Here, presence/absence of host-tree selection by Argentine ants was investigated to understand the ant-honeydew-producing insects interactions in order to develop new cultural controls compatible with biodiversity conservation...
February 9, 2018: Journal of Economic Entomology
https://www.readbyqxmd.com/read/29314245/accurate-geometries-for-mountain-pass-regions-of-the-ramachandran-plot-using-quantum-chemical-calculations
#20
Zhongming Jiang, Malgorzata Biczysko, Nigel W Moriarty
Unusual local arrangements of protein in Ramachandran space are not well represented by standard geometry tools used in either protein structure refinement using simple harmonic geometry restraints or in protein simulations using molecular mechanics force fields. In contrast, quantum chemical computations using small poly-peptide molecular models can predict accurate geometries for any well-defined backbone Ramachandran orientation. For conformations along transition regions-ϕ from -60 to 60°-a very good agreement with representative high-resolution experimental X-ray (≤1...
March 2018: Proteins
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