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https://www.readbyqxmd.com/read/27914354/3d-qsar-predictions-for-%C3%AE-cyclodextrin-binding-constants-using-quantum-mechanically-based-descriptors
#1
Lukas Linden, Kai-Uwe Goss, Satoshi Endo
Binding of organic chemicals to α-cyclodextrin (αCD) is a typical example for host-guest complexation that is influenced by the 3D-structure of both the binding site (host) and the solute (guest). Prediction of the binding constant is challenging and requires a successful representation of the binding site-solute interactions in the 3D-space. In this study, we tested if a 3D quantitative structure activity relationship (3D-QSAR) model with quantum mechanically based local sigma profiles (LSPs) derived from the COSMOsar3D method is capable of predicting αCD binding constants from the most recent literature and how the model performs in comparison to a standard comparative molecular field analysis and to a reference 2D-QSAR...
November 30, 2016: Chemosphere
https://www.readbyqxmd.com/read/27914278/fdstools-a-software-package-for-analysis-of-massively-parallel-sequencing-data-with-the-ability-to-recognise-and-correct-str-stutter-and-other-pcr-or-sequencing-noise
#2
Jerry Hoogenboom, Kristiaan J van der Gaag, Rick H de Leeuw, Titia Sijen, Peter de Knijff, Jeroen F J Laros
Massively parallel sequencing (MPS) is on the advent of a broad scale application in forensic research and casework. The improved capabilities to analyse evidentiary traces representing unbalanced mixtures is often mentioned as one of the major advantages of this technique. However, most of the available software packages that analyse forensic short tandem repeat (STR) sequencing data are not well suited for high throughput analysis of such mixed traces. The largest challenge is the presence of stutter artefacts in STR amplifications, which are not readily discerned from minor contributions...
November 27, 2016: Forensic Science International. Genetics
https://www.readbyqxmd.com/read/27914243/efficacy-and-safety-of-bevacizumab-containing-neoadjuvant-therapy-followed-by-interval-debulking-surgery-in-advanced-ovarian-cancer-results-from-the-anthalya-trial
#3
Roman Rouzier, Sébastien Gouy, Frédéric Selle, Eric Lambaudie, Anne Floquet, Virginie Fourchotte, Christophe Pomel, Pierre-Emmanuel Colombo, Elsa Kalbacher, Sandrine Martin-Francoise, Raffaele Fauvet, Philippe Follana, Anne Lesoin, Fabrice Lecuru, Youssef Ghazi, Julien Dupin, Elisabeth Chereau, Sarah Zohar, Paul Cottu, Florence Joly
AIM: To investigate whether adding bevacizumab to neoadjuvant carboplatin-paclitaxel (CP) helps achieve optimal debulking, measured by complete resection rate (CRR) at interval debulking surgery (IDS), in patients with initially unresectable International Federation of Gynecology and Obstetrics stage IIIC/IV ovarian, tubal or peritoneal adenocarcinoma. METHODS: Multicentre, open-label, non-comparative phase II study. Ninety-five patients randomised (2:1) to receive four cycles of neoadjuvant CP ±3 concomitant cycles of bevacizumab 15 mg/kg (BCP) followed by IDS...
November 30, 2016: European Journal of Cancer
https://www.readbyqxmd.com/read/27914192/accuracy-and-consequences-of-same-day-invasive-lung-cancer-workup-a-retrospective-study-in-patients-treated-with-surgical-resection
#4
Kirsten Riis Madsen, Asbjørn Høegholm, Uffe Bodtger
BACKGROUND: Though widely used, little is known about accuracy and efficacy of same-day, invasive workup of suspected lung cancer. OBJECTIVE: To evaluate the accuracy and efficacy of same-day, invasive lung cancer workup (diagnosis and mediastinal staging), and to identify differences between patients without (Group A) or with (Group B) need for resampling. METHODS: A retrospective study was performed on all consecutive patients referred for surgical treatment for localised lung cancer after invasive diagnostic and staging workup at our unit...
2016: European Clinical Respiratory Journal
https://www.readbyqxmd.com/read/27914172/cryotherapy-of-renal-lesions-enhancement-on-contrast-enhanced-sonography-on-postoperative-day-1-does-not-imply-viable-tissue-persistence
#5
Michele Bertolotto, Salvatore Siracusano, Calogero Cicero, Mariano Iannelli, Tommaso Silvestri, Antonio Celia, Alessandro Guarise, Fulvio Stacul
OBJECTIVES: To investigate whether persistent enhancement detected on contrast-enhanced sonography at postoperative day 1 (early contrast-enhanced sonography) after cryoablation of renal tumors implies the presence of residual viable tumor tissue, defined as residual enhancing tissue on reference imaging (computed tomography or magnetic resonance imaging) performed 6 months after the procedure. METHODS: Seventy-four patients with percutaneous cryoablation of renal tumors had early contrast-enhanced sonography from November 2011 to August 2015...
December 3, 2016: Journal of Ultrasound in Medicine: Official Journal of the American Institute of Ultrasound in Medicine
https://www.readbyqxmd.com/read/27914155/-main-causes-of-occupational-allergic-contact-dermatitis-a-three-year-study-in-the-center-of-portugal
#6
Catarina Pestana, Raquel Gomes, Vítor Pinheiro, Miguel Gouveia, Isabel Antunes, Margarida Gonçalo
INTRODUCTION: Allergic contact dermatitis, along with irritant contact dermatitis and immediate contact reactions, contact urticarial, are the most frequent dermatological occupational disease, but seldom reported to the National authorities. MATERIAL AND METHODS: We performed a 3-year retrospective study at the allergology section in the Dermatology Clinic of the University Hospital of Coimbra to evaluate the main occupations diagnosed as occupational allergic contact dermatitis, most common allergens and the effect of the modification of the work station in the evolution of the disease...
August 2016: Acta Médica Portuguesa
https://www.readbyqxmd.com/read/27914031/a-simple-spectrofluorimetric-method-for-iron-determination-with-a-chalcone-based-schiff-base
#7
Nurhayat Özbek, Hakan Alp, Gonca Çelik, Tuğba Ak, Osman Can Çağılcı, Nurettin Yaylı, Ümmühan Ocak, Miraç Ocak
A chalcone-based Schiff base (5), capable of detecting iron (III) in partially aqueous media, has been designed, then synthesized by the condensation of 3-formyl-2-hydroxyquinoline and acetophenone. To determine iron (III) ion, a simple spectrofluorimetric method was developed by using the synthesized Schiff base. The developed method was validated by analyzing the certified reference material (CRM-SA-C Sandy Soil C). During the process of the determination of iron in food samples, satisfactory accuracy was obtained for spinach and rocket...
December 2, 2016: Journal of Fluorescence
https://www.readbyqxmd.com/read/27914015/electron-transfer-dissociation-of-all-ions-at-all-times-ms-etd-in-a-quadrupole-time-of-flight-q-tof-mass-spectrometer
#8
Christian N Cramer, Jeffery M Brown, Nick Tomczyk, Peter Kresten Nielsen, Kim F Haselmann
Data-independent mass spectral acquisition is particularly powerful when combined with ultra-performance liquid chromatography (LC) that provides excellent separation of most components present in a given sample. Data-independent analysis (DIA) consists of alternating full MS scans and scans with fragmentation of all ions within a selected m/z range, providing precursor masses and structure information, respectively. Fragmentation spectra are acquired either by sequential isolation and fragmentation of sliding m/z ranges or fragmenting all ions entering the MS instrument with no ion isolation, termed broadband DIA...
December 2, 2016: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/27913979/genetic-diversity-of-the-genotype-vii-newcastle-disease-virus-identification-of-a-novel-viij-sub-genotype
#9
Cong Xue, Yanlong Cong, Renfu Yin, Yixue Sun, Chan Ding, Shengqing Yu, Xiufan Liu, Shunlin Hu, Jing Qian, Qianliang Yuan, Mingxi Yang, Chunfeng Wang, Zhuang Ding
Newcastle disease (ND) is a highly contagious disease of poultry caused by Newcastle disease virus (NDV). Multiple genotypes of NDV have been circulating worldwide and NDV is continuously evolving, resulting into more diversity. Of multiple viral genotypes, VII is particularly important given that it had been associated with most recent ND outbreaks worldwide. In this study, an epidemiological investigation performed in northeastern China during 2014-2015 showed that 11 genotype VII isolates amounted to 55 percent in a total number of NDV isolates...
December 2, 2016: Virus Genes
https://www.readbyqxmd.com/read/27913901/3d-active-passive-response-of-human-knee-joint-in-gait-is-markedly-altered-when-simulated-as-a-planar-2d-joint
#10
H Marouane, A Shirazi-Adl, M Adouni
Musculoskeletal models of the lower extremity make a number of important assumptions when attempting to estimate muscle forces and tibiofemoral compartmental loads in activities such as gait. The knee is commonly idealized as a planar 2D joint in the sagittal plane with no consideration of motions and equilibrium in remaining planes. With muscle forces predicted, the static equilibrium in the frontal plane is then used to estimate compartmental loads neglecting also joint passive resistance and assuming condylar contact centers...
December 2, 2016: Biomechanics and Modeling in Mechanobiology
https://www.readbyqxmd.com/read/27913836/association-between-waist-to-height-ratio-and-postpartum-urinary-incontinence
#11
Yan Li, Zhenyu Zhang
INTRODUCTION AND HYPOTHESIS: Obesity is an established and variable risk factor for postpartum urinary incontinence. However, the available anthropometric measurements are not comprehensive. We hypothesized that waist-to-height ratio (WHTR), which is a good indicator of abdominal adiposity, would be associated with postpartum urinary incontinence. METHODS: For this cross-sectional study, we recruited 1,137 women who were invited to visit our hospital outpatient service for a pelvic floor examination...
December 2, 2016: International Urogynecology Journal
https://www.readbyqxmd.com/read/27913825/hypolipidemic-effect-of-%C3%AE-caryophyllene-to-treat-hyperlipidemic-rats
#12
Matheus D Baldissera, Carine F Souza, Thirssa H Grando, Pedro H Doleski, Aline A Boligon, Lenita M Stefani, Silvia G Monteiro
The aim of this study was to evaluate the effect of β-caryophyllene on hypercholesterolemia using a model of hyperlipidemia induced by Triton WR-1339 in rats, as well as its possible effect on hepatic antioxidant enzymes. Thus, total cholesterol, triglycerides, low-density lipoprotein (LDL) cholesterol, and high-density lipoprotein (HDL) cholesterol were measured in serum, while reactive oxygen species (ROS), thiobarbituric acid reactive substances (TBARS), hepatic 3-hydroxy-3-methylglutayl coenzyme A (HMG-CoA) reductase, superoxide dismutase (SOD), and catalase (CAT) activities were measured in the hepatic tissue...
December 2, 2016: Naunyn-Schmiedeberg's Archives of Pharmacology
https://www.readbyqxmd.com/read/27913599/the-effect-of-food-quality-during-growth-on-spatial-memory-consolidation-in-adult-pigeons
#13
M F Scriba, J Gasparini, L Jacquin, C Mettke-Hofmann, N C Rattenborg, A Roulin
Poor environmental conditions experienced during early development can have negative long-term consequences on fitness. Animals can compensate negative developmental effects through phenotypic plasticity by diverting resources from non-vital to vital traits such as spatial memory to enhance foraging efficiency. We tested in young feral pigeons (Columba livia) how diets of different nutritional value during development affect the capacity to retrieve food hidden in a spatially complex environment, a process we refer to as "spatial memory"...
December 2, 2016: Journal of Experimental Biology
https://www.readbyqxmd.com/read/27913577/metabolite-profiling-of-lada-challenges-the-view-of-a-metabolically-distinct-subtype
#14
Mahmoud Al-Majdoub, Arslan Ali, Petter Storm, Anders Rosengren, Leif Groop, Peter Spégel
Latent autoimmune diabetes in adults (LADA) usually refers to GADAb positive diabetes with onset after 35 years of age and no insulin treatment within the first 6 months after diagnosis. However, it is not always easy to distinguish LADA from type 1 or type 2 diabetes.In this study we examined whether metabolite profiling could help to distinguish LADA (N=50) from type 1 (N=50) and type 2 diabetes (N=50).Out of 123 identified metabolites, 99 differed between the diabetes types. However, no unique metabolite profile could be identified for any of the types...
December 2, 2016: Diabetes
https://www.readbyqxmd.com/read/27913561/hospitals-and-patients-working-in-unity-how-r-u-protocol-for-a-prospective-feasibility-study-of-telephone-peer-support-to-improve-older-patients-quality-of-life-after-emergency-department-discharge
#15
Judy A Lowthian, Alyse Lennox, Andrea Curtis, Jeremy Dale, Colette Browning, De Villiers Smit, Gillian Wilson, Debra O'Brien, Cate Rosewarne, Lee Boyd, Cath Garner, Peter Cameron
INTRODUCTION: Older people presenting to an emergency department (ED) have a higher likelihood of social isolation, loneliness and depression; which are all associated with negative health outcomes and increased health service use, including higher rates of ED attendance. The HOW R U? study aims to ascertain the feasibility and acceptability of a postdischarge telephone support programme for older ED patients following discharge. The intervention, which aims to improve quality of life, will be delivered by hospital-based volunteers...
December 2, 2016: BMJ Open
https://www.readbyqxmd.com/read/27913408/neurophysiological-mechanisms-of-cortical-plasticity-impairments-in-schizophrenia-and-modulation-by-the-nmda-receptor-agonist-d-serine
#16
Joshua T Kantrowitz, Michael L Epstein, Odeta Beggel, Stephanie Rohrig, Jonathan M Lehrfeld, Nadine Revheim, Nayla P Lehrfeld, Jacob Reep, Emily Parker, Gail Silipo, Merav Ahissar, Daniel C Javitt
Schizophrenia is associated with deficits in cortical plasticity that affect sensory brain regions and lead to impaired cognitive performance. Here we examined underlying neural mechanisms of auditory plasticity deficits using combined behavioural and neurophysiological assessment, along with neuropharmacological manipulation targeted at the N-methyl-D-aspartate type glutamate receptor (NMDAR). Cortical plasticity was assessed in a cohort of 40 schizophrenia/schizoaffective patients relative to 42 healthy control subjects using a fixed reference tone auditory plasticity task...
December 2016: Brain: a Journal of Neurology
https://www.readbyqxmd.com/read/27913369/adaptive-optimal-control-using-frequency-selective-information-of-the-system-uncertainty-with-application-to-unmanned-aircraft
#17
Arnab Maity, Leonhard Hocht, Christian Heise, Florian Holzapfel
A new efficient adaptive optimal control approach is presented in this paper based on the indirect model reference adaptive control (MRAC) architecture for improvement of adaptation and tracking performance of the uncertain system. The system accounts here for both matched and unmatched unknown uncertainties that can act as plant as well as input effectiveness failures or damages. For adaptation of the unknown parameters of these uncertainties, the frequency selective learning approach is used. Its idea is to compute a filtered expression of the system uncertainty using multiple filters based on online instantaneous information, which is used for augmentation of the update law...
November 28, 2016: IEEE Transactions on Cybernetics
https://www.readbyqxmd.com/read/27913361/constrained-null-space-component-analysis-for-semiblind-source-separation-problem
#18
Wen-Liang Hwang, Keng-Shih Lu, Jinn Ho
The blind source separation (BSS) problem extracts unknown sources from observations of their unknown mixtures. A current trend in BSS is the semiblind approach, which incorporates prior information on sources or how the sources are mixed. The constrained independent component analysis (ICA) approach has been studied to impose constraints on the famous ICA framework. We introduced an alternative approach based on the null space component (NCA) framework and referred to the approach as the c-NCA approach. We also presented the c-NCA algorithm that uses signal-dependent semidefinite operators, which is a bilinear mapping, as signatures for operator design in the c-NCA approach...
November 29, 2016: IEEE Transactions on Neural Networks and Learning Systems
https://www.readbyqxmd.com/read/27913343/a-frequency-shift-method-to-measure-shear-wave-attenuation-in-soft-tissues
#19
Simon Bernard, Siavash Kazemirad, Guy Cloutier
In vivo quantification of shear wave attenuation in soft tissues may help to better understand human tissue rheology and lead to new diagnostic strategies. Attenuation is difficult to measure in acoustic radiation force elastography because the shear wave amplitude decreases due to a combination of diffraction and viscous attenuation. Diffraction correction requires assuming a cylindrical wavefront and an isotropic propagation medium, which may not be the case in some applications. In this study, the frequency shift method, used in ultrasound imaging and seismology, was adapted for shear wave attenuation measurement in elastography...
December 1, 2016: IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control
https://www.readbyqxmd.com/read/27913341/quantification-of-shear-wave-scattering-from-far-surface-defects-via-ultrasonic-wavefield-measurements
#20
Alexander J Dawson, Jennifer E Michaels, Joseph W Kummer, Thomas E Michaels
Nondestructive evaluation methods rely on prior knowledge of the expected interaction of ultrasonic waves with defects to inform detection and characterization decisions. Wavefield imaging, which refers to the measurement of signals originating from a spatially fixed source on a two-dimensional rectilinear grid, can be applied to visualize the effect of a subsurface scatterer on surface-measured wave motion. Here, obliquely-incident shear waves are directed at the far surface of a plate containing a through-hole using the well-known angle-beam ultrasonic inspection method...
December 1, 2016: IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control
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