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https://www.readbyqxmd.com/read/28655198/glycosylation-of-igg-fc-a-molecular-perspective
#1
Masato Kiyoshi, Kouhei Tsumoto, Akiko Ishii-Watabe, Jose M M Caaveiro
Antibodies of the IgG class carry a pair of oligosaccharides (N-glycans) in the fragment crystallizable (Fc) region. The importance of the N-glycan is clearly demonstrated by the profound effect it has in the physicochemical and biological properties of antibodies. The term "glycoengineering" has been coined to describe contemporary strategies to improve the performance of therapeutic monoclonal antibodies on the basis of modifications in the structure and composition of the N-glycan. These methodologies have resulted in the approval and commercialization of a new generation of antibodies with improved therapeutic efficacy...
June 26, 2017: International Immunology
https://www.readbyqxmd.com/read/28655145/partitioned-learning-of-deep-boltzmann-machines-for-snp-data
#2
Moritz Hess, Stefan Lenz, Tamara J Blätte, Lars Bullinger, Harald Binder
Motivation: Learning the joint distributions of measurements, and in particular identification of an appropriate low-dimensional manifold, has been found to be a powerful ingredient of deep leaning approaches. Yet, such approaches have hardly been applied to single nucleotide polymorphism (SNP) data, probably due to the high number of features typically exceeding the number of studied individuals. Results: After a brief overview of how deep Boltzmann machines (DBMs), a deep learning approach, can be adapted to SNP data in principle, we specifically present a way to alleviate the dimensionality problem by partitioned learning...
June 26, 2017: Bioinformatics
https://www.readbyqxmd.com/read/28654938/numerical-study-of-bubble-area-evolution-during-acoustic-droplet-vaporization-enhanced-hifu-treatment
#3
Ying Xin, Aili Zhang, Lisa X Xu, J Brian Fowlkes
Acoustic Droplet Vaporization (ADV) has the potential to shorten treatment time of high intensity focused ultrasound (HIFU) while minimizing the possible effects of microbubbles along the propagation path. Distribution of the bubbles formed from the droplets during the treatment is the major factor shaping the therapeutic region. A numerical model was proposed to simulate the bubble area evolution during this treatment. Using a linear acoustic equation to describe the ultrasound field, a threshold range was defined that determines the amount of bubbles vaporized in the treated area...
June 25, 2017: Journal of Biomechanical Engineering
https://www.readbyqxmd.com/read/28654874/aquatic-toxicity-of-ivermectin-in-cattle-dung-assessed-using-microcosms
#4
Leticia M Mesa, I Lindt, L Negro, M F Gutierrez, G Mayora, L Montalto, M Ballent, A Lifschitz
Ivermectin (IVM) is a parasiticide widely used for livestock. It is a semisynthetic derivative of avermectin, a macrocyclic lactone produced by Streptomyces avermitilis. This drug is only partly metabolized by livestock; considerable amounts of parent drug are excreted mostly via feces. To simulate exposure of aquatic invertebrates and macrophytes to direct excretion of cattle dung into surface waters, a microcosm experiment with IVM spiked in cattle dung was conducted. The objectives of this study were to characterize accumulation of IVM in water, sediment+dung, roots of the floating fern Salvinia and the zooplankton Ceriodaphnia dubia, the amphipod Hyalella and the apple snail Pomacea; to determine the effect of this drug spiked in cattle dung on life-history traits of these invertebrates; and to evaluate the influence of IVM on aquatic nutrient cycling...
June 24, 2017: Ecotoxicology and Environmental Safety
https://www.readbyqxmd.com/read/28654844/exploring-the-mechanisms-of-vehicle-front-end-shape-on-pedestrian-head-injuries-caused-by-ground-impact
#5
Sha Yin, Jiani Li, Jun Xu
In pedestrian-vehicle accidents, pedestrians typically suffer from secondary impact with the ground after the primary contact with vehicles. However, information about the fundamental mechanism of pedestrian head injury from ground impact remains minimal, thereby hindering further improvement in pedestrian safety. This study addresses this issue by using multi-body modeling and computation to investigate the influence of vehicle front-end shape on pedestrian safety. Accordingly, a simulation matrix is constructed to vary bonnet leading-edge height, bonnet length, bonnet angle, and windshield angle...
June 24, 2017: Accident; Analysis and Prevention
https://www.readbyqxmd.com/read/28654752/in-silico-prediction-of-the-toxic-potential-of-lupeol
#6
Manuel Antonio Ruiz-Rodríguez, Angelo Vedani, Ana Lidia Flores-Mireles, Manuel Humberto Chairez-Ramirez, Jose Alberto Gallegos-Infante, Ruben F Gonzalez-Laredo
Lupeol is a natural triterpenoid found in many plant species such as mango. This compound is the principal active component of many traditional herbal medicines. In the past decade, a considerable number of publications dealt with lupeol and its analogues due to the interest in their pharmacological activities against cancer, inflammation, arthritis, diabetes, and heart disease. To identify further potential applications of lupeol and its analogues, it is necessary to investigate their mechanisms of action, particularly, their interaction with off-target proteins that may trigger adverse effects or toxicity...
June 27, 2017: Chemical Research in Toxicology
https://www.readbyqxmd.com/read/28654750/combining-static-and-dynamical-approaches-for-infrared-spectra-calculations-of-gas-phase-molecules-and-clusters
#7
Daria Ruth Galimberti, Alberto Milani, Matteo Tommasini, Chiara Castiglioni, Marie-Pierre Gaigeot
Four models for the calculation of the IR spectrum of gas phase molecules and clus- ters from molecular dynamics simulations are presented with the aim to reduce the computational cost of the usual Fourier transform (FT) of the time correlation function of the dipole moment. These models are based on the VDOS, FT of time correlation function of velocities, and Atomic Polar Tensors (APT). The models differ from each other by the number of APTs inserted into the velocities correlation function. Excellent accuracy is achieved by the model adopting a weighted linear combination of a few se- lected APTs adapted for the rotation of the molecule (model D)...
June 27, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28654732/age-based-differences-in-the-predictive-accuracy-of-a-one-size-fits-all-risk-cutoff-value-in-prenatal-integrated-screening-for-down-syndrome
#8
Jia Yan, Turgay Ayer, Pinar Keskinocak, Aaron Caughey
OBJECTIVE: To assess variation in detection and false positive rates and adverse pregnancy outcomes across different age groups when a one-size-fits-all risk-cutoff value, such as 1/270, is used in integrated screening for Down syndrome. METHOD: A Monte Carlo simulation was utilized to estimate the detection and false positive rates as well as adverse pregnancy outcomes. RESULTS: Using a one-size-fits-all risk-cutoff value, such as 1/270, can result in considerably high variations in detection and false positive rates across maternal ages, and lead to a higher than the minimum possible total number of adverse outcomes...
June 27, 2017: Prenatal Diagnosis
https://www.readbyqxmd.com/read/28654722/synthesis-of-ultra-small-pd-nanoparticles-deposited-on-cds-nanorods-by-pulsed-laser-ablation-in-liquid-role-of-metal-nanocrystal-size-in-the-photocatalytic-hydrogen-production
#9
Hanbit Park, D Amaranatha Reddy, Yujin Kim, Seunghee Lee, Rory Ma, Tae Kyu Kim
It is imperative to suppress the recombination rate of photogenerated carriers for the improvement of semiconductor-catalyzed solar-driven hydrogen production. To that end, photocatalysts comprising active sunlight-harvesting photoabsorbers and stable metal co-catalysts have attracted significant attention. However, the size, clean surface, and highly dispersed nature of the metal co-catalysts are crucial factors affecting the catalyst performance and reaction rate. Nevertheless, most of the available metal nanocrystals have been synthesized using complex procedures and harmful organic templates and stabilizers, affording high-purity compounds with difficulty and high cost...
June 27, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28654698/the-future-of-the-london-buy-to-let-property-market-simulation-with-temporal-bayesian-networks
#10
Anthony C Constantinou, Norman Fenton
In 2015 the British government announced a number of major tax reforms for individual landlords. To give landlords time to adjust, some of these tax measures are being introduced gradually from April 2017, with full effect in tax year 2020/21. The changes in taxation have received much media attention since there has been widespread belief that the new measures were sufficiently skewed against landlords that they could signal the end of the Buy-To-Let (BTL) investment era in the UK. This paper assesses the prospective performance of BTL investments in London from the investor's perspective, and examines the impact of incoming tax reforms using a novel Temporal Bayesian Network model...
2017: PloS One
https://www.readbyqxmd.com/read/28654688/modelled-health-benefits-of-a-sugar-sweetened-beverage-tax-across-different-socioeconomic-groups-in-australia-a-cost-effectiveness-and-equity-analysis
#11
Anita Lal, Ana Maria Mantilla-Herrera, Lennert Veerman, Kathryn Backholer, Gary Sacks, Marjory Moodie, Mohammad Siahpush, Rob Carter, Anna Peeters
BACKGROUND: A sugar-sweetened beverage (SSB) tax in Mexico has been effective in reducing consumption of SSBs, with larger decreases for low-income households. The health and financial effects across socioeconomic groups are important considerations for policy-makers. From a societal perspective, we assessed the potential cost-effectiveness, health gains, and financial impacts by socioeconomic position (SEP) of a 20% SSB tax for Australia. METHODS AND FINDINGS: Australia-specific price elasticities were used to predict decreases in SSB consumption for each Socio-Economic Indexes for Areas (SEIFA) quintile...
June 2017: PLoS Medicine
https://www.readbyqxmd.com/read/28654663/two-sides-of-a-coin-effects-of-climate-change-on-the-native-and-non-native-distribution-of-colossoma-macropomum-in-south-america
#12
Taise M Lopes, Dayani Bailly, Bia A Almeida, Natália C L Santos, Barbara C G Gimenez, Guilherme O Landgraf, Paulo C L Sales, Matheus S Lima-Ribeiro, Fernanda A S Cassemiro, Thiago F Rangel, José A F Diniz-Filho, Angelo A Agostinho, Luiz C Gomes
Climate change and species invasions interact in nature, disrupting biological communities. Based on this knowledge, we simultaneously assessed the effects of climate change on the native distribution of the Amazonian fish Colossoma macropomum as well as on its invasiveness across river basins of South America, using ecological niche modeling. We used six niche models within the ensemble forecast context to predict the geographical distribution of C. macropomum for the present time, 2050 and 2080. Given that this species has been continuously introduced into non-native South American basins by fish farming activities, we added the locations of C...
2017: PloS One
https://www.readbyqxmd.com/read/28654661/structure-dynamics-and-kinetics-of-two-component-lantibiotic-lichenicidin
#13
Alejandra de Miguel, Rafael Tapia-Rojo, Tillmann Utesch, Maria Andrea Mroginski
Two variants of the two-component Lantibiotic Lichenicidin, produced by the strains B. Licheniformis VK21 and I89 (Lchα/ Lchβ and Bliα/ Bliβ peptides, respectively) have been investigated by means of 2 μs-long all-atom molecular dynamics simulations combined with Markov State Models. This rigorous statistical analysis enabled to evaluate the dynamic and kinetic properties of the aforementioned systems which are not accessible via experimental techniques. The structural flexibility characteristic of these small peptides is understood by a delicate equilibrium between random coil, α-helices and β-sheet structures...
2017: PloS One
https://www.readbyqxmd.com/read/28654653/validity-of-using-multiple-imputation-for-unknown-stage-at-diagnosis-in-population-based-cancer-registry-data
#14
Qingwei Luo, Sam Egger, Xue Qin Yu, David P Smith, Dianne L O'Connell
BACKGROUND: The multiple imputation approach to missing data has been validated by a number of simulation studies by artificially inducing missingness on fully observed stage data under a pre-specified missing data mechanism. However, the validity of multiple imputation has not yet been assessed using real data. The objective of this study was to assess the validity of using multiple imputation for "unknown" prostate cancer stage recorded in the New South Wales Cancer Registry (NSWCR) in real-world conditions...
2017: PloS One
https://www.readbyqxmd.com/read/28654649/optimal-specific-wavelength-for-maximum-thrust-production-in-undulatory-propulsion
#15
Nishant Nangia, Rahul Bale, Nelson Chen, Yohanna Hanna, Neelesh A Patankar
What wavelengths do undulatory swimmers use during propulsion? In this work we find that a wide range of body/caudal fin (BCF) swimmers, from larval zebrafish and herring to fully-grown eels, use specific wavelength (ratio of wavelength to tail amplitude of undulation) values that fall within a relatively narrow range. The possible emergence of this constraint is interrogated using numerical simulations of fluid-structure interaction. Based on these, it was found that there is an optimal specific wavelength (OSW) that maximizes the swimming speed and thrust generated by an undulatory swimmer...
2017: PloS One
https://www.readbyqxmd.com/read/28654549/workload-of-team-leaders-and-team-members-during-a-simulated-sepsis-scenario
#16
Nancy M Tofil, Yiqun Lin, John Zhong, Dawn Taylor Peterson, Marjorie Lee White, Vincent Grant, David J Grant, Ronald Gottesman, Stephanie N Sudikoff, Mark Adler, Kimberly Marohn, Jennifer Davidson, Adam Cheng
OBJECTIVES: Crisis resource management principles dictate appropriate distribution of mental and/or physical workload so as not to overwhelm any one team member. Workload during pediatric emergencies is not well studied. The National Aeronautics and Space Administration-Task Load Index is a multidimensional tool designed to assess workload validated in multiple settings. Low workload is defined as less than 40, moderate 40-60, and greater than 60 signify high workloads. Our hypothesis is that workload among both team leaders and team members is moderate to high during a simulated pediatric sepsis scenario and that team leaders would have a higher workload than team members...
June 24, 2017: Pediatric Critical Care Medicine
https://www.readbyqxmd.com/read/28654538/our-first-simulator-a-fond-farewell
#17
Rami Ahmed
No abstract text is available yet for this article.
July 2017: Academic Medicine: Journal of the Association of American Medical Colleges
https://www.readbyqxmd.com/read/28654314/cross-validation-of-a-glucose-insulin-glucagon-pharmacodynamics-model-for-simulation-using-data-from-patients-with-type-1-diabetes
#18
Sabrina Lyngbye Wendt, Ajenthen Ranjan, Jan Kloppenborg Møller, Signe Schmidt, Carsten Boye Knudsen, Jens Juul Holst, Sten Madsbad, Henrik Madsen, Kirsten Nørgaard, John Bagterp Jørgensen
BACKGROUND: Currently, no consensus exists on a model describing endogenous glucose production (EGP) as a function of glucagon concentrations. Reliable simulations to determine the glucagon dose preventing or treating hypoglycemia or to tune a dual-hormone artificial pancreas control algorithm need a validated glucoregulatory model including the effect of glucagon. METHODS: Eight type 1 diabetes (T1D) patients each received a subcutaneous (SC) bolus of insulin on four study days to induce mild hypoglycemia followed by a SC bolus of saline or 100, 200, or 300 µg of glucagon...
February 1, 2017: Journal of Diabetes Science and Technology
https://www.readbyqxmd.com/read/28654241/heavy-metal-free-fluorescent-znte-znse-nano-dumbbells
#19
Botao Ji, Yossef E Panfil, Uri Banin
For visible range emitting particles which are relevant for display and additional applications, Cd-chalcogenide nanocrystals have reached the highest degree of control and performance. Considering potential toxicity and regulatory limitations, there is a challenge to successfully develop Cd-free emitting nanocrystals and in particular, heterostructures with desirable properties. Herein, we report a colloidal synthesis of fluorescent heavy-metal free Zn-chalcogenide semiconductor nanodumbbells (NDBs), in which ZnSe tips were selectively grown on the apexes of ZnTe rods as evidenced by a variety of methods...
June 27, 2017: ACS Nano
https://www.readbyqxmd.com/read/28654208/inferring-past-demographic-changes-from-contemporary-genetic-data-a-simulation-based-evaluation-of-the-abc-methods-implemented-in-diyabc
#20
Andrea A Cabrera, Per J Palsbøll
Inferring the demographic history of species and their populations is crucial to understand their contemporary distribution, abundance, and adaptations. The high computational overhead of likelihood-based inference approaches severely restricts their applicability to large data sets or complex models. In response to these restrictions, Approximate Bayesian Computation (ABC) methods have been developed to infer the demographic past of populations and species. Here we present the results of an evaluation of the ABC-based approach implemented in the popular software package DIYABC using simulated data sets (mitochondrial DNA sequences, microsatellite genotypes and single nucleotide polymorphisms)...
June 27, 2017: Molecular Ecology Resources
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