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https://www.readbyqxmd.com/read/29342355/convergence-of-kirkwood-buff-integrals-of-ideal-and-non-ideal-aqueous-solutions-using-molecular-dynamics-simulations
#1
Jasmin Milzetti, Divya Nayar, Nico F A van der Vegt
The computation of Kirkwood-Buff integrals (KBIs) using molecular simulations of closed systems is challenging due to finite system-size effects. One of the problems involves the incorrect asymptotic behavior of the radial distribution function. Corrections to rectify such effects have been proposed in the literature. This study reports a systematic comparison of the proposed corrections (as given by Ganguly et al. J. Chem. Theory Comput. 2013, 9, 1347-1355 and Krueger et al. J. Phys. Chem. Lett. 2013, 4, 4-7) to assess the asymptotic behavior of the RDFs, the KBIs as well as the estimation of thermodynamic quantities for ideal urea--water and non-ideal modified-urea--water mixtures using molecular dynamics simulations...
January 17, 2018: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29341465/p2y12-deficiency-in-mouse-impairs-noradrenergic-system-in-brain-and-alters-anxiety-like-neurobehavior-and-memory
#2
Fang Zheng, Qiang Zhou, Yin Cao, Hailian Shi, Hui Wu, Beibei Zhang, Fei Huang, Xiaojun Wu
Purinergic receptor P2Y12 (P2Y12 ), a G protein-coupled (GPCR) purinergic receptor, is widely distributed in nervous system and involved in the progression of neurological diseases such as multiple sclerosis and neuropathic pain. The central noradrenergic system actively participates in a number of neurophysiological processes. Nevertheless, whether there is any direct relevance between P2Y12 and noradrenergic signal transduction remains unknown. In the present study, we tested the hypothesis that lack of P2Y12 impaired noradrenergic signal transduction in mouse brain...
January 17, 2018: Genes, Brain, and Behavior
https://www.readbyqxmd.com/read/29341213/detection-of-subclinical-left-ventricular-dysfunction-by-tissue-doppler-imaging-in-horses-with-aortic-regurgitation
#3
S Ven, A Decloedt, D De Clercq, L Vera, F Rademakers, G van Loon
BACKGROUND: Aortic regurgitation (AR) can have an important clinical impact and in some cases leads to left ventricular (LV) failure. Tissue Doppler imaging (TDI) is an echocardiographic technique that has been used in horses to detect LV dysfunction. OBJECTIVES: To examine whether TDI detects changes in radial myocardial wall motion in horses with AR compared to control horses. STUDY DESIGN: Case-control study. METHODS: Echocardiography was performed in 30 healthy Warmblood horses and 34 Warmblood horses with AR, subdivided in groups with mild, moderate or severe AR...
January 17, 2018: Equine Veterinary Journal
https://www.readbyqxmd.com/read/29341175/investigation-of-the-axial-gap-clearance-in-a-hydrodynamic-passive-magnetically-levitated-rotary-blood-pump-using-x-ray-radiography
#4
Bente Thamsen, Mathieu Plamondon, Marcus Granegger, Marianne Schmid Daners, Rolf Kaufmann, Antonia Neels, Mirko Meboldt
The HeartWare HVAD is a radial rotary blood pump with a combination of passive magnetic and hydrodynamic bearings to levitate the impeller. The axial gap size between impeller and housing in this bearing and its sensitivity to speed, flow, and pressure difference is difficult to assess. Shear stresses are exceptionally high in this tiny gap making it important for blood damage and related adverse events. Therefore, the aim of this study was to measure the axial gap clearance in the HVAD at different operating conditions employing radiography...
January 17, 2018: Artificial Organs
https://www.readbyqxmd.com/read/29341107/anthropogenic-nitrogen-deposition-ameliorates-the-decline-in-tree-growth-caused-by-a-drier-climate
#5
Inés Ibáñez, Donald R Zak, Andrew J Burton, Kurt S Pregitzer
Most forest ecosystems are simultaneously affected by concurrent global change drivers. However, when assessing these effects, studies have mainly focused on the responses to single factors and have rarely evaluated the joined effects of the multiple aspects of environmental change. Here, we analyzed the combined effects of anthropogenic nitrogen (N) deposition and climatic conditions on the radial growth of Acer saccharum, a dominant tree species in eastern North American forests. We capitalized on a long-term N deposition study, replicated along a latitudinal gradient, that has been taking place for more than 20 yr...
January 17, 2018: Ecology
https://www.readbyqxmd.com/read/29340363/central-metal-effect-on-intramolecular-vibrational-energy-transfer-of-m-co-5br-m-mn-re-probed-by-two-dimensional-infrared-spectroscopy
#6
Fan Yang, Xueqian Dong, Minjun Feng, Juan Zhao, Jianping Wang
Vibrational energy transfer in transition metal complexes with flexible structures in condensed phases is of central importance to catalytical chemistry processes. In this work, two molecules with different metal atoms, M(CO)5Br (where M = Mn, Re), were used as model systems, and their axial and radial carbonyl stretching modes as infrared probes. The central-metal effect on intramolecular vibrational energy redistribution (IVR) in M(CO)5Br was investigated in polar and nonpolar solvents. The linear infrared (IR) peak splitting between carbonyl vibrations increases as the metal atom changes from Mn to Re...
January 17, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29340223/yabby3-orthologous-genes-in-wild-tomato-species-structure-variability-and-expression
#7
M A Filyushin, M A Slugina, A V Shchennikova, E Z Kochieva
Evolution of the genes encoding YABBY transcription factors is believed to be one of the key reasons for flat leaf emergence from the radially symmetrical stem and gynoecium diversity. YABBY genes determine the identity of the abaxial surface of all aboveground lateral organs in seed plants. In the present study, complete sequences of YABBY3-orthologous genes were identified and characterized in 13 accessions of cultivated and wild tomato species with diverse morphophysiology of leaves, flowers, and fruits...
October 2017: Acta Naturae
https://www.readbyqxmd.com/read/29339998/planning-training-loads-for-the-400-m-hurdles-in-three-month-mesocycles-using-artificial-neural-networks
#8
Krzysztof Przednowek, Janusz Iskra, Krzysztof Wiktorowicz, Tomasz Krzeszowski, Adam Maszczyk
This paper presents a novel approach to planning training loads in hurdling using artificial neural networks. The neural models performed the task of generating loads for athletes' training for the 400 meters hurdles. All the models were calculated based on the training data of 21 Polish National Team hurdlers, aged 22.25 ± 1.96, competing between 1989 and 2012. The analysis included 144 training plans that represented different stages in the annual training cycle. The main contribution of this paper is to develop neural models for planning training loads for the entire career of a typical hurdler...
December 2017: Journal of Human Kinetics
https://www.readbyqxmd.com/read/29339841/role-of-autologous-non-vascularised-intramedullary-fibular-strut-graft-in-humeral-shaft-nonunions-following-failed-plating
#9
Sreekanth Kashayi-Chowdojirao, Aashish Vallurupalli, Vijay Krishna Chilakamarri, Chandrasekhar Patnala, Lalith Mohan Chodavarapu, Nageswara Rao Kancherla, Asif Hussain Khazi Syed
Background: Non-union humeral shaft fractures are seen frequently in clinical practice at about 2-10% in conservative management and 30% in surgically operated patients. Osteosynthesis using dynamic compression plate (DCP), intramedullary nailing, locking compression plate (LCP), Ilizarov technique along with bone grafting have been reported previously. In cases of prior failed plate-screw osteosynthesis the resultant osteopenia, cortical defect, bone loss, scalloping around screws and metallosis, make the management of non-union more complicated...
November 2017: Journal of Clinical Orthopaedics and Trauma
https://www.readbyqxmd.com/read/29339701/subclinical-reduction-in-left-ventricular-function-using-triplane-and-2d-speckle-tracking-echocardiography-after-anthracycline-exposure-in-children
#10
Erman Çilsal, Ayşe Deniz Oğuz, Fatma Sedef Tunaoğlu, Serdar Kula, Ayhan Pektaş
OBJECTIVE: Speckle tracking echocardiography (STE) enables global and regional evaluation of the left ventricle (LV); therefore, it is the most useful method for detecting subclinical dysfunction in patients exposed to cardiotoxic agents. A novel technique triplane (3P) echocardiography also allows single beat assessment of LV global longitudinal strain values. We firstly aimed to demonstrate both two-dimensional (2D)- and 3PSTE-derived LV global longitudinal strain measurements in children after anthracycline exposure...
January 2018: Anatolian Journal of Cardiology
https://www.readbyqxmd.com/read/29339166/anticoagulation-in-acute-coronary-syndrome-state-of-the-art
#11
REVIEW
Michel Zeitouni, Mathieu Kerneis, Tarek Nafee, Jean-Philippe Collet, Johanne Silvain, Gilles Montalescot
Early intravenous anticoagulation is the corner stone treatment of patients admitted with an acute coronary syndrome: it antagonizes the ongoing coronary thrombosis and facilitates the percutaneous coronary intervention, hence a reduction of mortality and acute stent thrombosis. Unfractionated heparin, enoxaparin, bivalirudin and fondaparinux have been extensively studied in large randomized control trials and meta-analyses with the same objective: reducing the ischemic burden without hiking hemorrhagic events...
January 12, 2018: Progress in Cardiovascular Diseases
https://www.readbyqxmd.com/read/29337716/management-of-biceps-tendon-pathology-from-the-glenoid-to-the-radial-tuberosity
#12
Rachel M Frank, Eric J Cotter, Eric J Strauss, Laith M Jazrawi, Anthony A Romeo
Management of proximal and distal biceps tendon pathology is evolving. The long head of the biceps tendon, if inflamed, may be a pain-producing structure. In appropriately indicated patients, a symptomatic long head of the biceps tendon can be surgically managed via tenotomy, tenodesis, and/or superior labrum anterior to posterior repair. In some patients, primary superior labrum anterior to posterior pathology can be managed via biceps tenodesis. Determining which procedure is most appropriate and which technique and implant are preferred for a given patient with biceps tendon pathology is controversial...
January 15, 2018: Journal of the American Academy of Orthopaedic Surgeons
https://www.readbyqxmd.com/read/29337088/cross-regulatory-network-in-pseudomonas-aeruginosa-biofilm-genes-and-tio2-anatase-induced-molecular-perturbations-in-key-proteins-unraveled-by-a-systems-biology-approach
#13
Rani Anupama, S Sajitha Lulu, Amitava Mukherjee, Subramanian Babu
A systems biology approach was used to study all the biofilm related genes of P. aeruginosa PAO1, and the interaction of titanium dioxide (TiO2) anatase with biofilm related proteins. Among the 71 genes, the interactions of all the nodal pairs were extracted by STRING 10.5 database. The inter-relationship among these genes was predicted by constructing complete PPI network and visualized in Cytoscape v 3.4.0. Total number of nodes of the network was found to be 335 and edges were 795. The network was further investigated for its clusters and the best cluster was further analyzed for the hub proteins which significantly contribute in cross-regulation of the biofilm related process...
January 11, 2018: Gene
https://www.readbyqxmd.com/read/29336992/schwann-cell-lamellipodia-regulate-cell-cell-interactions-and-phagocytosis
#14
Johana Tello Velasquez, James A St John, Lynn Nazareth, Jenny A K Ekberg
Lamellipodia in Schwann cells (SCs) are crucial for myelination, but their other biological functions remain largely uncharacterised. Two types of lamellipodia exist in SCs: axial lamellipodia at the outermost edge of the cell processes, and radial lamellipodia appearing peripherally along the entire cell. We have previously shown that radial lamellipodia on olfactory glia (olfactory ensheathing cells; OECs) promote cell-cell adhesion, contact-mediated migration and phagocytosis. Here we have investigated whether lamellipodia in SCs have similar roles...
January 11, 2018: Molecular and Cellular Neurosciences
https://www.readbyqxmd.com/read/29336906/progression-of-white-matter-damage-in-progressive-supranuclear-palsy-with-predominant-parkinsonism
#15
Francesca Caso, Federica Agosta, Milica Ječmenica-Lukić, Igor Petrović, Alessandro Meani, Vladimir S Kostic, Massimo Filippi
INTRODUCTION: Progressive supranuclear palsy with predominant parkinsonism (PSP-P) accounts for 14-35% of all PSP cases. A few cross-sectional MRI studies in PSP-P showed a remarkable white matter (WM) damage. Progression of brain structural damage in these patients remains unknown. METHODS: Longitudinal clinical, cognitive and diffusion tensor (DT) MRI data were obtained over a mean 1.6 year follow up in 10 PSP-P patients. At study entry, patients were compared with 36 healthy controls...
January 4, 2018: Parkinsonism & related Disorders
https://www.readbyqxmd.com/read/29336813/recurrence-after-curative-intent-resection-of-perihilar-cholangiocarcinoma-analysis-of-a-large-cohort-with-a-close-postoperative-follow-up-approach
#16
Kenichi Komaya, Tomoki Ebata, Yukihiro Yokoyama, Tsuyoshi Igami, Gen Sugawara, Takashi Mizuno, Junpei Yamaguchi, Masato Nagino
BACKGROUND: Although several studies have been conducted on the patterns of recurrence in resected perihilar cholangiocarcinoma, they have many limitations. The aim of this study was to investigate recurrence after resection and to evaluate prognostic factors on the time to recurrence and recurrence-free survival. METHODS: Consecutive patients who underwent curative-intent resection of perihilar cholangiocarcinoma between 2001 and 2012 were reviewed retrospectively...
January 11, 2018: Surgery
https://www.readbyqxmd.com/read/29336780/advances-in-non-contrast-quiescent-interval-slice-selective-qiss-magnetic-resonance-angiography
#17
REVIEW
R R Edelman, M Carr, I Koktzoglou
There is a pressing clinical need to develop accurate, efficient non-contrast magnetic resonance angiography (NC-MRA) techniques. Our efforts in the field have focused on a novel non-subtractive technique called quiescent-interval slice-selective (QISS) MRA. Compared with other NC-MRA techniques, QISS has the advantage of being more accurate while enabling a simpler and more efficient workflow. The original implementation, which uses electrocardiogram (ECG) gating and a Cartesian k-space trajectory, is a reliable technique for the evaluation of peripheral arterial disease (PAD)...
January 11, 2018: Clinical Radiology
https://www.readbyqxmd.com/read/29336757/radiofrequency-thermal-ablation-heat-energy-transfer-in-an-ex-vivo-model
#18
Shivani Thakur, Sandi Lavito, Elizabeth Grobner, Mark Grobner
Little work has been done to consider the temperature changes and energy transfer that occur in the tissue outside the vein with ultrasound-guided vein ablation therapy. In this experiment, a Ex-Vivo model of the human calf was used to analyze heat transfer and energy degradation in tissue surrounding the vein during endovascular radiofrequency ablation (RFA). A clinical vein ablation protocol was used to determine the tissue temperature distribution in 10 per cent agar gel. Heat energy from the radiofrequency catheter was measured for 140 seconds at fixed points by four thermometer probes placed equidistant radially at 0...
December 1, 2017: American Surgeon
https://www.readbyqxmd.com/read/29336725/adaptability-of-mitosporic-stage-in-sphaerodes-mycoparasitica-towards-its-mycoparasitic-polyphagous-lifestyle
#19
Vladimir Vujanovic, Seon Hwa Kim
Sphaerodes mycoparasitica Vuj. is a Fusarium-specific mycoparasite. Some recent discoveries recognize its biotrophic polyphagous lifestyle as an interesting biocontrol property against a broad spectrum of mycotoxigenic Fusarium hosts. Secondary metabolites such as mycotoxins produced by Fusarium spp. may play an important role in the signaling process, allowing an early mycoparasite-host recognition. A multiple-paper-disc assay has been conducted to test S. mycoparasitica hyphal adaptability to filtrates of 12 Fusarium spp...
November 17, 2017: Mycologia
https://www.readbyqxmd.com/read/29336398/concomitant-neurogenic-and-vascular-thoracic-outlet-syndrome-due-to-multiple-exostoses
#20
Hosseinali Abdolrazaghi, Azade Riyahi, Morteza Taghavi, Pezhman Farshidmehr, Abolfazl Mohammadbeigi
We report a rare case of multiple hereditary exostosis where patient presented with bilateral base of neck exostoses with concurrent compression of brachial plexus and subclavian artery and vein. The patient was a young 26-year-old woman with chief complaints of pain in the left upper extremity, paresthesia in the left ring and little finger, and weakness in hand movement and grip. On referral, history, physical examination, radiological imaging, and electrodiagnostic tests evaluated the patient. Due to severe pain and disability in performing routine activities, surgical intervention was necessary...
January 2018: Annals of Cardiac Anaesthesia
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