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inverse dynamics

Jennifer Hochheim, Angela Kranz, Karin Krumbach, Sascha Sokolowsky, Lothar Eggeling, Stephan Noack, Marco Bocola, Michael Bott, Jan Marienhagen
OBJECTIVES: To explore systemic effects of mutations in the UDP-N-acetylmuramoylalanyl-D-glutamate 2,6-diaminopimelate ligase (MurE) of Corynebacterium glutamicum, that leads to extracellular L-lysine accumulation by this bacterium. RESULTS: The analysis of a mutant cohort of C. glutamicum strains carrying all possible 20 amino acids at position 81 of MurE revealed unexpected effects on cellular properties. With increasing L-lysine accumulation the growth rate of the producing strain is reduced...
October 25, 2016: Biotechnology Letters
Marcus Böckmann, Nikos L Doltsinis
The light-induced surface modification of a thin film of poly-(disperse orange-3-methylmethacrylate) is investigated computationally using atomistic molecular dynamics simulations specifically tailored to include photoisomerization dynamics. For a model surface consisting of a periodic pattern of alternating irradiated and dark spots, it is shown that repeated photoisomerization in the irradiated areas initially leads to a local temperature increase and a raised surface profile accompanied by a migration of molecules away from the bright spots...
October 21, 2016: Journal of Chemical Physics
Sutapa Roy, S Dietrich, Felix Höfling
The dynamic and static critical behavior of a family of binary Lennard-Jones liquid mixtures, close to their continuous demixing points (belonging to the so-called model H' dynamic universality class), are studied computationally by combining semi-grand canonical Monte Carlo simulations and large-scale molecular dynamics (MD) simulations, accelerated by graphic processing units (GPU). The symmetric binary liquid mixtures considered cover a variety of densities, a wide range of compressibilities, and various interactions between the unlike particles...
October 7, 2016: Journal of Chemical Physics
T L Rodgers, J E Magee, T Amure, F R Siperstein
The dynamics of co-polymer systems play an important role in the preparation and stability of formulations, as well as on their capability to function in drug delivery systems. Micelle inversion can occur as a result of a change in concentration when a solvent is very volatile and evaporates, or as a result of a change in solvent quality upon addition of another solvent to the original solution, or upon changes in pH. In this work, dissipative particle dynamics (DPD) is used to examine the dynamics of micelle inversion in concentrated systems of diblock and triblock amphiphiles, where interactions between neighboring aggregates are observed...
October 26, 2016: Soft Matter
Joohyun Kim, Tae Kim, Kwan Soo Hong, Hyeyoung Moon, In-Kyung Oh, Sang Mok Lee, Mark D Hohenwalter, Michael A Zimmerman, David C Cronin, Johnny C Hong
BACKGROUND: Gadoxetic acid is a liver-specific intravenous T1 magnetic resonance (MR) contrast agent that is excreted via the hepatobiliary system. We hypothesize that hepatocyte expressions of bile transporters (OATP1 and MRP2) correlate with dynamic profile of Gadoxetic acid enhanced (GE)-MR imaging (MRI). METHODS: Two groups of rats, control (n = 6) and cirrhosis (n = 12), received gadoxetic acid enhanced MRI followed by 70% hepatectomy. The change in MR signal intensity from the baseline before the contrast injection (ΔSI) was analyzed every minute for 30 min...
October 26, 2016: Journal of Investigative Surgery: the Official Journal of the Academy of Surgical Research
Malachi W Gillick-Healy, Elizabeth V Jennings, Helge Muller-Bunz, Yannick Ortin, Kirill Nikitin, Declan G Gilheany
The energy barriers in our recently discovered Walden inversion of chlorophosphonium salts are similar to those in Cope rearrangements of caged cyclic hydrocarbons. We have therefore designed a molecular system integrating the two processes, thereby producing the first embodiment in a chemical species of two entirely different and independent stereomutation mechanisms at the same nominal asymmetric centre. Thus, the energy barrier to the rearrangement of 9-phenyl-9-phosphabarbaralane oxide, easily prepared by a new high-yielding synthesis, was found to be ca...
October 25, 2016: Chemistry: a European Journal
Sarah L Richardson, Pawel Swietach
During capillary transit, red blood cells (RBCs) must exchange large quantities of CO2 and O2 in typically less than one second, but the degree to which this is rate-limited by diffusion through cytoplasm is not known. Gas diffusivity is intuitively assumed to be fast and this would imply that the intracellular path-length, defined by RBC shape, is not a factor that could meaningfully compromise physiology. Here, we evaluated CO2 diffusivity (DCO2) in RBCs and related our results to cell shape. DCO2 inside RBCs was determined by fluorescence imaging of [H(+)] dynamics in cells under superfusion...
October 25, 2016: Scientific Reports
Huanhuan Yang, Xiangyu Cao, Fan Yang, Jun Gao, Shenheng Xu, Maokun Li, Xibi Chen, Yi Zhao, Yuejun Zheng, Sijia Li
Diverse electromagnetic (EM) responses of a programmable metasurface with a relatively large scale have been investigated, where multiple functionalities are obtained on the same surface. The unit cell in the metasurface is integrated with one PIN diode, and thus a binary coded phase is realized for a single polarization. Exploiting this anisotropic characteristic, reconfigurable polarization conversion is presented first. Then the dynamic scattering performance for two kinds of sources, i.e. a plane wave and a point source, is carefully elaborated...
October 24, 2016: Scientific Reports
Juliana Mt Bezerra, Raphaela Gp Araújo, Fabrício F Melo, Caroline M Gonçalves, Bárbara A Chaves, Breno M Silva, Luciana D Silva, Silvana T Brandão, Nágila Fc Secundino, Douglas E Norris, Paulo Fp Pimenta
Brazil reported the majority of the dengue cases in Americas during the last two decades, where the occurrence of human dengue cases is exclusively attributed to the Aedes (Stegomyia) aegypti (Linnaeus). Nowadays, other recognized Dengue virus (DENV) vector in Asian countries, Aedes (Stegomyia) albopictus (Skuse), has been detected in more than half of the 5,565 Brazilian municipalities. Therefore, the aim of the present study was to investigate the presence of, and determine the Ae. albopictus' dynamics influenced by spatiotemporal characteristics in a dengue-endemic risk city of Belo Horizonte, Minas Gerais State's capital...
October 19, 2016: Acta Tropica
Bertram J Wilm, Christoph Barmet, Simon Gross, Lars Kasper, S Johanna Vannesjo, Max Haeberlin, Benjamin E Dietrich, David O Brunner, Thomas Schmid, Klaas P Pruessmann
PURPOSE: The purpose of this work was to improve the quality of single-shot spiral MRI and demonstrate its application for diffusion-weighted imaging. METHODS: Image formation is based on an expanded encoding model that accounts for dynamic magnetic fields up to third order in space, nonuniform static B0 , and coil sensitivity encoding. The encoding model is determined by B0 mapping, sensitivity mapping, and concurrent field monitoring. Reconstruction is performed by iterative inversion of the expanded signal equations...
October 21, 2016: Magnetic Resonance in Medicine: Official Journal of the Society of Magnetic Resonance in Medicine
Tao Peng, Howard C Hang
Over the past years, fluorescent proteins (e.g., green fluorescent proteins) have been widely utilized to visualize recombinant protein expression and localization in live cells. Although powerful, fluorescent protein tags are limited by their relatively large sizes and potential perturbation to protein function. Alternatively, site-specific labeling of proteins with small-molecule organic fluorophores using bioorthogonal chemistry may provide a more precise and less perturbing method. This approach involves site-specific incorporation of unnatural amino acids (UAAs) into proteins via genetic code expansion, followed by bioorthogonal chemical labeling with small organic fluorophores in living cells...
October 21, 2016: Journal of the American Chemical Society
Zhimin Xie, Dongliang Chai, Youshan Wang, Huifeng Tan
The effective potentials are of great importance for the coarse-grained (CG) simulations, which can be obtained by the structure-based iterative Boltzmann inversion (IBI) method. However, the standard IBI method is incapable of keeping the mechanical and thermodynamic properties of the CG model in consistence with those of the all-atom model. Unlike the existed techniques, such as introducing the friction force as the dissipative force to drop the superatom motion while the conservative force arising from the CG potential was kept intact, we directly modified the standard IBI nonbonded potential by adding an empirical function...
October 21, 2016: Journal of Physical Chemistry. B
Rachel Grossman, Nir Shimony, Dror Shir, Tal Gonen, Razi Sitt, Tali Jonas Kimchi, Carmit Ben Harosh, Zvi Ram
BACKGROUND: The extent of tumor resection (EOTR) calculated by enhanced T1 changes in glioblastomas has been previously reported to predict survival. However, fluid-attenuated inversion recovery (FLAIR) volume may better represent tumor burden. In this study, we report the first assessment of the dynamics of FLAIR volume changes over time as a predictive variable for post-resection overall survival (OS). METHODS: Contemporary data from 103 consecutive patients with complete imaging and clinical data who underwent resection of newly diagnosed glioblastoma followed by the Stupp protocol between 2010 and 2013 were analyzed...
October 20, 2016: Annals of Surgical Oncology
Zhi-Yong Xu, Ming-Xue Zheng, Yan Zhang, Xiao-Zhen Cui, Sha-Sha Yang, Rui-Li Liu, Shan Li, Rou Xi, Xin Gong, Rui Bai
The purpose of the present study was to investigate the dynamic changes in the main regulatory genes of the mitochondrial permeability transition pore in E. tenella host cells. Primary chick embryo cecum epithelial cell culture techniques, spectrophotometer technology, Hoechst-Annexin V-PI apoptosis staining and ELISA were used to detect the apoptosis rate and dynamic changes of Bcl-2, Bcl-xl, Bax, Bak, Bid, Bad, HK-II, and ATP content in E. tenella host cells at 4, 24, 48, 72, 96, and 120 h. The rates of early apoptosis, late apoptosis, and necrosis of group T0 were significantly lower (P < 0...
October 17, 2016: Experimental Parasitology
G H Hou, R Q Wang, S Yang, Y Zhang, X L Xu, P Y Zhuang
Objective: To compare the acoustic signal, mucosal wave and aerodynamic parameter (phonation threshold pressure, PTP) under different sub-glottal pressure (SGP) on the excised canine models with different extent of glottal incompetence. Methods: Perturbation measures and nonlinear dynamic measures were applied to analyze the acoustic signal (jitter, shimmer), mucosal wave [frequency(F), amplitude(A), phase(P)] and PTP from our study including 11 excised canine larynges with different extent of glottal incompetence (0 mm, 1 mm, 2 mm, 3 mm, n=11, respectively) under 1-4 kPa sub-glottal pressure...
October 7, 2016: Zhonghua Er Bi Yan Hou Tou Jing Wai Ke za Zhi, Chinese Journal of Otorhinolaryngology Head and Neck Surgery
Eric C Honert, Karl E Zelik
INTRODUCTION: Inverse dynamics joint kinetics are often used to infer contributions from underlying groups of muscle-tendon units (MTUs). However, such interpretations are confounded by multiarticular (multi-joint) musculature, which can cause inverse dynamics to over- or under-estimate net MTU power. Misestimation of MTU power could lead to incorrect scientific conclusions, or to empirical estimates that misguide musculoskeletal simulations, assistive device designs, or clinical interventions...
2016: PloS One
Peter Kokkinos
A plethora of evidence exists supporting that structured aerobic exercise or activities that increase cardiorespiratory fitness (CRF) lower resting blood pressure (BP) in patients with hypertension (HTN). Relatively few studies have assessed the effects of anaerobic or resistance exercise on BP. Thus, its role in managing HTN is not defined. Also, possible risks related with exercise in hypertensive patients have not been adequately addressed.In addition to lowering BP, CRF attenuates the incidence of HTN. A substantial part of the age-related progression to HTN is not an inevitable outcome of aging as once thought, but a consequence of lifestyle characterized by high-fat/salt diets and physical inactivity...
September 2016: Journal of Hypertension
Margarita G Skalnaya, Anatoly V Skalny, Vasily V Yurasov, Vasily A Demidov, Andrei R Grabeklis, Ivan V Radysh, Alexey A Tinkov
The primary aim of the research was to assess the level of trace elements and electrolytes in serum of postmenopausal diabetic women. Sixty-four postmenopausal women with type 2 diabetes mellitus (DM2) and 64 age- and body mass index-matched controls were examined. Serum trace elements were assessed using inductively coupled plasma dynamic reaction cell mass spectrometry (ICP-DRC-MS). Fasting plasma glucose (FPG) and glycated hemoglobin (HbA1c) levels were evaluated using Randox kits. The obtained data demonstrate that DM2 patients were characterized by 42 and 34 % higher FPG and HbA1c levels, respectively (p < 0...
October 18, 2016: Biological Trace Element Research
Julie Latimer, Stephen Ling, Ian Flaherty, Marianne Jauncey, Allison M Salmon
BACKGROUND: Fentanyl is a powerful analgesic, the prescription of which has increased markedly in recent years. The emergence of the drug at the Sydney Medically Supervised Injecting Centre (MSIC) warranted a retrospective clinical audit to assess the risk of fentanyl overdose in comparison with other opioids, in the context of a drug consumption room. METHOD: Heroin, fentanyl or other prescription opioids (PO) injections resulting in overdose were audited (September 1, 2012 and August 31, 2015)...
October 14, 2016: International Journal on Drug Policy
Ross A Bogey, Lee A Barnes
The force of a single muscle is not directly measurable without invasive methods. Yet invasive techniques are not appropriate for clinical use, thus a non-invasive technique that combined the electromyographic (EMG) signal and a neuromuscular model was developed to determine in vivo active muscle forces at the hip. The EMG-to-force processing (EFP) model included active and passive moment components, and the net EFP moment was compared with the hip moment obtained with standard inverse dynamics techniques ("gold standard")...
October 12, 2016: IEEE Transactions on Neural Systems and Rehabilitation Engineering
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