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https://www.readbyqxmd.com/read/28441481/best-practices-of-computer-aided-drug-discovery-cadd-lessons-learned-from-the-development-of-a-preclinical-candidate-for-prostate-cancer-with-a-new-mechanism-of-action
#1
Fuqiang Ban, Kush Dalal, Huifang Li, Eric LeBlanc, Paul S Rennie, Artem Cherkasov
Small-molecule drug design is a complex and iterative decision-making process relying on pre-existing knowledge and driven by experimental data. Low molecular weight chemicals represent an attractive therapeutic option as they are readily accessible to organic synthesis and can easily be characterized.1 Their potency, as well as pharmacokinetic and pharmacodynamic properties can be systematically and rationally investigated, and ultimately optimized via expert science behind medicinal chemistry and methods of computer-aided drug design (CADD)...
April 25, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28440570/mass-spectrometric-characterization-of-the-selective-androgen-receptor-modulator-sarm-yk-11-for-doping-control-purposes
#2
Mario Thevis, Thomas Piper, Josef Dib, Andreas Lagojda, Dirk Kuehne, Lars Packschies, Hans Geyer, Wilhelm Schaenzer
RATIONALE: Selective androgen receptor modulators (SARMs) represent an emerging class of therapeutics targeting inter alia conditions referred to as cachexia and sarcopenia. Due to their anabolic properties, the use of SARMs is prohibited in sports as regulated by the World Anti-Doping Agency (WADA), and doping control laboratories test for these anabolic agents in blood and urine. In order to accomplish and maintain comprehensive test methods, the characterization of new drug candidates is critical for efficient sports drug testing...
April 25, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28439728/is-color-an-integral-part-of-a-rich-mental-simulation
#3
Lara N Hoeben Mannaert, Katinka Dijkstra, Rolf A Zwaan
Research suggests that language comprehenders simulate visual features such as shape during language comprehension. In sentence-picture verification tasks, whenever pictures match the shape or orientation implied by the previous sentence, responses are faster than when the pictures mismatch implied visual aspects. However, mixed results have been demonstrated when the sentence-picture paradigm was applied to color (Connell, Cognition, 102(3), 476-485, 2007; Zwaan & Pecher, PLOS ONE, 7(12), e51382, 2012). One of the aims of the current investigation was to resolve this issue...
April 24, 2017: Memory & Cognition
https://www.readbyqxmd.com/read/28439397/transcriptomic-analysis-of-maternally-provisioned-cues-for-phenotypic-plasticity-in-the-annual-killifish-austrofundulus-limnaeus
#4
Amie L Romney, Jason E Podrabsky
BACKGROUND: Genotype and environment can interact during development to produce novel adaptive traits that support life in extreme conditions. The development of the annual killifish Austrofundulus limnaeus is unique among vertebrates because the embryos have distinct cell movements that separate epiboly from axis formation during early development, can enter into a state of metabolic dormancy known as diapause and can survive extreme environmental conditions. The ability to enter into diapause can be maternally programmed, with young females producing embryos that do not enter into diapause...
2017: EvoDevo
https://www.readbyqxmd.com/read/28438482/manufacture-and-preparation-of-human-placenta-derived-mesenchymal-stromal-cells-for-local-tissue-delivery
#5
Lee Lankford, Y Julia Chen, Zoe Saenz, Priyadarsini Kumar, Connor Long, Diana Farmer, Aijun Wang
BACKGROUND: In this study we describe the development of a Current Good Manufacturing Practice (CGMP)-compliant process to isolate, expand and bank placenta-derived mesenchymal stromal cells (PMSCs) for use as stem cell therapy. We characterize the viability, proliferation and neuroprotective secretory profile of PMSCs seeded on clinical-grade porcine small intestine submucosa extracellular matrix (SIS-ECM; Cook Biotech). METHODS: PMSCs were isolated from early gestation placenta chorionic villus tissue via explant culture...
April 21, 2017: Cytotherapy
https://www.readbyqxmd.com/read/28438169/ivermectin-and-malaria-control
#6
Satoshi Ōmura, Andy Crump
As the world begins to realize the very real prospect of eliminating malaria as a public health problem globally, the scientific community is acutely aware that novel and innovative new tools will be required if that lofty goal is to be accomplished. Moreover, the need for comprehensive, integrated products and interventions is being recognized in order for the critical 'final steps' toward elimination to be taken successfully. Failure to take these crucial last steps have dogged all past global disease elimination programmes, except for smallpox...
April 24, 2017: Malaria Journal
https://www.readbyqxmd.com/read/28437869/risk-modeling-of-interdependent-complex-systems-of-systems-theory-and-practice
#7
Yacov Y Haimes
The emergence of the complexity characterizing our systems of systems (SoS) requires a reevaluation of the way we model, assess, manage, communicate, and analyze the risk thereto. Current models for risk analysis of emergent complex SoS are insufficient because too often they rely on the same risk functions and models used for single systems. These models commonly fail to incorporate the complexity derived from the networks of interdependencies and interconnectedness (I-I) characterizing SoS. There is a need to reevaluate currently practiced risk analysis to respond to this reality by examining, and thus comprehending, what makes emergent SoS complex...
April 24, 2017: Risk Analysis: An Official Publication of the Society for Risk Analysis
https://www.readbyqxmd.com/read/28437684/fibrillar-disruption-by-ac-electric-field-induced-oscillation-a-case-study-with-human-serum-albumin
#8
Shubhatam Sen, Monojit Chakraborty, Snigdha Goley, Swagata Dasgupta, Sunando DasGupta
The effect of oscillation induced by a frequency-dependent alternating current (AC) electric field to dissociate preformed amyloid fibrils has been investigated. An electrowetting-on-dielectric type setup has been used to apply the AC field of varying frequencies on preformed fibrils of human serum albumin (HSA). The disintegration potency has been monitored by a combination of spectroscopic and microscopic techniques. The experimental results suggest that the frequency of the applied AC field plays a crucial role in the disruption of preformed HSA fibrils...
April 13, 2017: Biophysical Chemistry
https://www.readbyqxmd.com/read/28437339/a-multicenter-evaluation-of-clinical-and-radiographic-outcomes-following-high-grade-spondylolisthesis-reduction-and-fusion
#9
Gurpreet S Gandhoke, Manish K Kasliwal, Justin S Smith, JoAnne Nieto, David Ibrahimi, Paul Park, Frank Lamarca, Christopher Shaffrey, David O Okonkwo, Adam S Kanter
OBJECTIVE: A retrospective review of the clinical and radiographic outcomes from a multicenter study of surgical treatment for high-grade spondylolisthesis (HGS) in adults. The objective was to assess the safety of surgical reduction, its ability to correct regional deformity, and its clinical effectiveness. METHODS: Retrospective, multicenter review of adults (age above 18 y) with lumbosacral HGS (Meyerding grade 3-5) treated surgically with open decompression, attempted reduction, posterior instrumentation, and interbody fusion...
May 2017: Clinical Spine Surgery
https://www.readbyqxmd.com/read/28437266/gelfoam-interposition-minimizes-risk-of-fistula-and-postoperative-bleeding-in-modified-furlow-palatoplasty
#10
Jing Li, Patrick A Gerety, James Johnston, Jesse A Taylor
Failure to accomplish a tension-free, watertight closure predisposes the palatoplasty patient to fistula formation. Perioperative bleeding also places the patient at risk for adverse airway events (AAE). This study introduces the incorporation of a hemostatic gelatin sponge (Gelfoam) into layered palatoplasty to minimize adverse postoperative bleeding and fistula formation. A retrospective chart review was performed to identify subjects who underwent Furlow palatoplasty with insertion of Gelfoam from 2010 to 2015...
April 21, 2017: Journal of Craniofacial Surgery
https://www.readbyqxmd.com/read/28437209/conversations-about-goals-and-values-are-feasible-and-acceptable-in-long-term-acute-care-hospitals-a-pilot-study
#11
Daniela J Lamas, Robert L Owens, R Nicholas Nace, Anthony F Massaro, Nathan J Pertsch, Susan T Moore, Rachelle E Bernacki, Susan D Block
RATIONALE: The chronically critically ill have survived acute critical illness but require prolonged mechanical ventilation. These patients are frequently transferred from acute care to long-term acute care hospitals (LTACHs) for prolonged recovery, yet many suffer setbacks requiring readmission to acute care. The patient's relatively improved condition while at the LTACH might be an opportunity for communication regarding care goals; however, there have been no prior studies of the feasibility of such conversations in the LTACH...
February 24, 2017: Journal of Palliative Medicine
https://www.readbyqxmd.com/read/28436907/reliability-of-lagged-poincar%C3%A3-plot-parameters-in-ultra-short-heart-rate-variability-series-application-on-affective-sounds
#12
Mimma Nardelli, Alberto Greco, Juan Bolea, Gaetano Valenza, Enzo Pasquale Scilingo, Raquel Bailon
The number of studies about ultra-short cardiovascular time series is increasing because of the demand for mobile applications in telemedicine and e-health monitoring. However, the current literature still needs a proper validation of heartbeat nonlinear dynamics assessment from ultra-short time series. This paper reports on the reliability of the Lagged Poincaré Plot (LPP) parameters - calculated from ultra-short cardiovascular time series. Reliability is studied on simulated as well as on real RR series...
April 18, 2017: IEEE Journal of Biomedical and Health Informatics
https://www.readbyqxmd.com/read/28435770/thermally-activated-delayed-fluorescence-organic-dots-tadf-odots-for-time-resolved-and-confocal-fluorescence-imaging-in-living-cells-and-in-vivo
#13
Tingting Li, Dongliang Yang, Liuqing Zhai, Suiliang Wang, Baomin Zhao, Nina Fu, Lianhui Wang, Youtian Tao, Wei Huang
The fluorophores with long-lived fluorescent emission are highly desirable for time-resolved fluorescence imaging (TRFI) in monitoring target fluorescence. By embedding the aggregates of a thermally activated delayed fluorescence (TADF) dye, 2,3,5,6-tetracarbazole-4-cyano-pyridine (CPy), in distearoyl-sn-glycero-3-phosphoethanolamine-poly(ethylene glycol) (DSPE-PEG2000) matrix, CPy-based organic dots (CPy-Odots) with a long fluorescence lifetime of 9.3 μs (in water at ambient condition) and high brightness (with an absolute fluorescence quantum efficiency of 38...
April 2017: Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
https://www.readbyqxmd.com/read/28435754/establishing-successful-patient-centered-medical-homes-in-rural-hawai-i-three-strategies-to-consider
#14
Melissa Nelson Scribner, Kasey Kehoe
The challenges to healthcare delivery posed by Hawai'i's unique geography, physician shortages, and dispersed population are of particular importance in light of implementing the Affordable Care Act (ACA). This study draws on central goals laid out in the ACA - to decrease costs, increase access, and improve patient outcomes. The use of the Patient-Centered Medical Homes (PCMHs) is a care model that has the potential to meet all three goals. How to identify the most effective way to develop PCMHs in the specific context of Hawai'i is the focus of this study...
March 2017: Hawai'i Journal of Medicine & Public Health: a Journal of Asia Pacific Medicine & Public Health
https://www.readbyqxmd.com/read/28435743/effects-of-overground-locomotor-training-on-the-ventilatory-response-to-volitional-treadmill-walking-in-individuals-with-incomplete-spinal-cord-injury-a-pilot-study
#15
Gino S Panza, Andrew A Guccione, Lisa M Chin, Jared M Gollie, Jeffery E Herrick, John P Collins
INTRODUCTION: Although there has been substantial emphasis on the neuromuscular and cardiovascular adaptations following rehabilitation, pulmonary adaptations in individuals with incomplete SCI (iSCI) in response to locomotor training have been less frequently studied. In healthy individuals, effective transition from rest to work is accomplished by a hyperpneic response, which exhibits an exponential curve with three phases. However, the degree to which our current understanding of exercise hyperpnea can be applied to individuals with iSCI is unknown...
2017: Spinal Cord Series and Cases
https://www.readbyqxmd.com/read/28435254/daphnia-magna-and-xenopus-laevis-as-in-vivo-models-to-probe-toxicity-and-uptake-of-quantum-dots-functionalized-with-gh625
#16
Emilia Galdiero, Annarita Falanga, Antonietta Siciliano, Valeria Maselli, Marco Guida, Rosa Carotenuto, Margherita Tussellino, Lucia Lombardi, Giovanna Benvenuto, Stefania Galdiero
The use of quantum dots (QDs) for nanomedicine is hampered by their potential toxicologic effects and difficulties with delivery into the cell interior. We accomplished an in vivo study exploiting Daphnia magna and Xenopus laevis to evaluate both toxicity and uptake of QDs coated with the membranotropic peptide gH625 derived from the glycoprotein H of herpes simplex virus and widely used for drug delivery studies. We evaluated and compared the effects of QDs and gH625-QDs on the survival, uptake, induction of several responsive pathways and genotoxicity in D...
2017: International Journal of Nanomedicine
https://www.readbyqxmd.com/read/28434715/separation-of-janus-droplets-and-oil-droplets-in-microchannels-by-wall-induced-dielectrophoresis
#17
Mengqi Li, Dongqing Li
The continuous separation of different types of droplets from a mixture is important in industrial and research applications. Currently researches for droplet separation focus on homogeneous emulsion droplets, and there is no study on the separation of heterogeneous droplets. The wall-induced dielectrophoresis, which originates from the non-uniform electrical field around a sphere nearby a planar wall, can be applied to separate dielectric particle and cells. In this work, the continuous separations of oil droplets and the electrically induced Janus droplets (EIJDs) in a microchannel by using the wall-induced dielectrophoresis method were presented...
April 14, 2017: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28434712/evidence-for-an-imidazoline-by-product-from-glycans-using-tandem-mass-spectrometry
#18
Robert J Duff, Elaine Smith, Wenzhou Li, Szilan Fodor
Herein is reported the separation and identification of a previously unknown imidazoline by-product originating from the fluorescent labeling procedure when applied to enzymatically released N-linked glycans of a human IgG1. The imidazoline by-product was generated via the reductive amination procedure with either sodium cyanoborohydride or 2-picoline borane. Using ultra performance liquid chromatography (UPLC) in conjunction with hydrophilic interaction-based chromatography (HILIC), the 2-aminobenzoic acid (2-AA)-labeled glycans were well-resolved from imidazoline by-products to facilitate direct identification utilizing electrospray ionization mass spectrometry (ESI-MS) with fragmentation...
April 18, 2017: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28434045/slow-drilling-speeds-for-single-drill-implant-bed-preparation-experimental-in-vitro-study
#19
R A Delgado-Ruiz, E Velasco Ortega, G E Romanos, S Gerhke, I Newen, J L Calvo-Guirado
AIMS: To evaluate the real-time bone temperature changes during the preparation of the implant bed with a single-drill protocol with different drill designs and different slow drilling speeds in artificial type IV bone. MATERIALS AND METHODS: For this experimental in vitro study, 600 implant bed preparations were performed in 10 bovine bone disks using three test slow drilling speeds (50/150/300 rpm) and a control drilling speed (1200 rpm). The temperature at crestal and apical areas and time variations produced during drilling with three different drill designs with similar diameter and length but different geometry were recorded with real-life thermographic analysis...
April 22, 2017: Clinical Oral Investigations
https://www.readbyqxmd.com/read/28433871/automatic-cumulative-sums-contour-detection-of-fbp-reconstructed-multi-object-nuclear-medicine-images
#20
Nicholas E Protonotarios, George M Spyrou, George A Kastis
The problem of determining the contours of objects in nuclear medicine images has been studied extensively in the past, however most of the analysis has focused on a single object as opposed to multiple objects. The aim of this work is to develop an automated method for determining the contour of multiple objects in positron emission tomography (PET) and single photon emission computed tomography (SPECT) filtered backprojection (FBP) reconstructed images. These contours can be used for computing body edges for attenuation correction in PET and SPECT, as well as for eliminating streak artifacts outside the objects, which could be useful in compressive sensing reconstruction...
April 14, 2017: Computers in Biology and Medicine
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