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inverse dynamics

Guofeng Liu, Xin Li, Jianhui Sheng, Pei-Zhou Li, Wee Kong Ong, Soo Zeng Fiona Phua, Hans Ågren, Liangliang Zhu, Yanli Zhao
Probing the supramolecular chirality of assemblies and controlling their handedness are closely related to the origin of chirality at supramolecular level and the development of smart materials with desired handedness. However, it remains unclear how achiral residues covalently bonded to chiral amino acids can function in the chirality inversion of supramolecular assemblies. Herein, we report macroscopic chirality and dynamic manipulation of chiroptical activity of hydrogels self-assembled from phenylalanine derivatives, together with the inversion of their handedness achieved solely by exchanging achiral substituents between oligo(ethylene glycol) and carboxylic acid groups...
November 15, 2017: ACS Nano
William E Sponsel, Susan L Johnson, Rick Trevino, Alberto Gonzalez, Sylvia L Groth, Carolyn Majcher, Diane C Fulton, Matthew A Reilly
Purpose: Both pattern electroretinography (PERG) and visual evoked potentials (VEP) can be performed using low- (15%; Lc) and high- (85%; Hc) contrast gratings that may preferentially stimulate the magno- and parvocellular pathways. We observed that among glaucomatous patients showing only one VEP latency deficit per eye, there appeared to be a very strong tendency for an Hc delay in one eye and an Lc delay in the other. Methods: Diopsys NOVA-LX system was used to measure VEP Hc and Lc latency among a clinical glaucoma population to find all individuals with either a single Hc or Lc latency abnormality in each eye (group 1), or with greater than 0 and less than 4 Hc or Lc VEP latency abnormalities in the two eyes (group 2) to determine whether a significant inverse correlation existed for these values in either group...
2017: Translational Vision Science & Technology
Stephen A LoBue, Norihiro Yamada, Moon Jeong Choi, Timothy W Olsen
Purpose: We hypothesized that the elastic nature of the choroid leads to tissue contraction following a full-thickness, sharp incision. Furthermore, we sought to quantify, measure, and compare tissue contraction in ex vivo porcine globes and human globes of various ages using predetermined variables. Method: A full-thickness, ex vivo choroidal incision was performed in either pig (n = 97) or human (n = 30) specimens. Variables included trephine diameter (1.5, 2...
November 2017: Translational Vision Science & Technology
Mel W Khaw, Paul W Glimcher, Kenway Louie
The notion of subjective value is central to choice theories in ecology, economics, and psychology, serving as an integrated decision variable by which options are compared. Subjective value is often assumed to be an absolute quantity, determined in a static manner by the properties of an individual option. Recent neurobiological studies, however, have shown that neural value coding dynamically adapts to the statistics of the recent reward environment, introducing an intrinsic temporal context dependence into the neural representation of value...
November 13, 2017: Proceedings of the National Academy of Sciences of the United States of America
Jenny Fagerland, Daniela Pappalardo, Björn Schmidt, Per-Olof Syrén, Anna Finne Wistrand
Peptides are often attached to polymer materials, as bioactive components, for the control of interactions between the material and its surrounding proteins and cells. However, synthesizing peptides and attaching them to polymers can be challenging and laborious. Herein, we describe the grafting of oligopeptides to an aliphatic polyester, using a one-step chemo-enzymatic synthesis with papain as the biocatalyst. To enable enzyme-mediated functionalization of the polyester, ethyl hept-6-enoylalaninate (grafter) was synthesized and attached to polylactide chains using thiol-ene click reactions...
November 13, 2017: Biomacromolecules
Assil Bouzid, Alfredo Pasquarello
We employ constant-Fermi-level ab initio molecular dynamics to investigate defects at the InGaAs/oxide interface upon inversion. We adopt a substoichiometric amorphous model for modelling the structure at the interface and investigate the formation of defect structures upon setting the Fermi-level above the conduction band minimum. The defect formation is detected through both an analysis of the atomic structure and a Wannier decomposition of the electronic structure. This computer driven approach is able to retrieve In and Ga lone-pair defects and As-As dimer/dangling bond defects, in agreement with previous studies based on physical intuition...
November 13, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Mohsen Abbaspour, Hamed Akbarzadeh, Sirous Salemi, Khodanazar Pirfalak
We have determined a new two-body interaction potential of water by the inversion of viscosity collision integrals of water vapor and fitted to achieve the Hartree-fock dispersion-like (HFD-like) potential function. The calculated two-body potential generates the thermal conductivity, viscosity, and self-diffusion coefficient of water vapor in an excellent accordance with experimental data at wide temperature ranges. We have also used a new many-body potential as a function of temperature and density with the HFD-like pair-potential of water to improve the two-body properties better than the SPC, SPC/E, TIP3P, and TIP4P models...
November 10, 2017: Journal of Computational Chemistry
Can Zheng, Meihua Li, Toru Kawada, Masashi Inagaki, Kazunori Uemura, Masaru Sugimachi
Fluid retention is the main reason for the high hospitalization rate among patients with chronic heart failure (CHF). Given the lack of knowledge about fluid intake regulation and its consequences in patients with CHF, current guidelines do not provide clear direction for fluid management. Using a rat model of CHF, we investigated altering drinking behaviors and explored fluid management strategies. CHF was induced by ligating the left anterior descending coronary arteries in 8-week-old, male, Sprague-Dawley rats...
November 2017: Physiological Reports
Kanji Matsukawa, Kana Endo, Ryota Asahara, Miho Yoshikawa, Shinya Kusunoki, Tomoko Ishida
Our laboratory reported that facial skin blood flow may serve as a sensitive tool to assess an emotional status. Cerebral neural correlates during emotional interventions should be sought in relation to the changes in facial skin blood flow. To test the hypothesis that prefrontal activity has positive relation to the changes in facial skin blood flow during emotionally charged stimulation, we examined the dynamic changes in prefrontal oxygenation (with near-infrared spectroscopy) and facial skin blood flows (with two-dimensional laser speckle and Doppler flowmetry) during emotionally charged audiovisual challenges for 2 min (by viewing comedy, landscape, and horror movie) in 14 subjects...
November 2017: Physiological Reports
Ursula Trinler, Richard Baker
Inverse kinematics is emerging as the optimal method in movement analysis to fit a multi-segment biomechanical model to experimental marker positions. A key part of this process is calibrating the model to the dimensions of the individual being analysed which requires scaling of the model, pose estimation and localisation of tracking markers within the relevant segment coordinate systems. The aim of this study is to propose a generic technique for this process and test a specific application to the OpenSim model Gait2392...
November 6, 2017: Medical Engineering & Physics
Francisco M Nadal-Nicolás, Manuel Jiménez-López, Manuel Salinas-Navarro, Paloma Sobrado-Calvo, Manuel Vidal-Sanz, Marta Agudo-Barriuso
BACKGROUND: Microglial cells (MCs) are the sentries of the central nervous system. In health, they are known as surveying MCs because they examine the tissue to maintain the homeostasis. In disease, they activate and, among other functions, become phagocytic to clean the cellular debris. In this work, we have studied the behavior of rat retinal MCs in two models of unilateral complete intraorbital optic nerve axotomy which elicit a different time course of retinal ganglion cell (RGC) loss...
November 9, 2017: Journal of Neuroinflammation
Loren Z F Chiu
Muscle hypertrophy and strength adaptations elicited by resistance training dependent on the force exerted by active muscles. As an exercise may use many muscles, determining force for individual muscles or muscle groupings is important to understand the relation between an exercise and these adaptations. Muscle effort - the amount of force or a surrogate measure related to the amount of force exerted during a task - can be quantified using biomechanical methods. The purpose of this review was to summarize the biomechanical methods used to estimate muscle effort in movements, particularly resistance training exercises...
November 6, 2017: Journal of Strength and Conditioning Research
Dhivya Manogaran, Yashonath Subramanian
A molecular dynamics study of liquid water and models of water has been carried out to understand the effect of changes in the mass distribution on molecular translation and rotation. Calculations on the motion of (m)H2O and H2(n)O where m and n vary over a range of values by varying the mass at the hydrogen and oxygen positions show that these form two distinct series. The two series exhibit different translational and rotational properties. Although, a decrease in diffusivity when compared to H2O is observed in both the series, in the case of (m)H2O series, an enhancement in the ratio of diffusivities {D[H2O]/D[ (m)H2O]} is found as compared to the square root of the inverse mass ratios while the effect of mass distribution for H2(n)O is seen to lead to a reduction in the ratio of diffusivities {D[H2O]/D[ H2(n)O]}with respect to the square root of the inverse mass ratios...
November 9, 2017: Journal of Physical Chemistry. B
Rodolfo Guzzi, Teresa Colombo, Paola Paci
Systems Biology may be assimilated to a symbiotic cyclic interplaying between the forward and inverse problems. Computational models need to be continuously refined through experiments and in turn they help us to make limited experimental resources more efficient. Every time one does an experiment we know that there will be some noise that can disrupt our measurements. Despite the noise certainly is a problem, the inverse problems already involve the inference of missing information, even if the data is entirely reliable...
2018: Methods in Molecular Biology
Ingrid F Guha, Sushant Anand, Kripa K Varanasi
Nanoscale emulsions are essential components in numerous products, ranging from processed foods to novel drug delivery systems. Existing emulsification methods rely either on the breakup of larger droplets or solvent exchange/inversion. Here we report a simple, scalable method of creating nanoscale water-in-oil emulsions by condensing water vapor onto a subcooled oil-surfactant solution. Our technique enables a bottom-up approach to forming small-scale emulsions. Nanoscale water droplets nucleate at the oil/air interface and spontaneously disperse within the oil, due to the spreading dynamics of oil on water...
November 8, 2017: Nature Communications
Chao Li, Yaqin Tao, Yi Yang, Chang Feng, Yang Xiang, Genxi Li
The study of protein-protein interactions (PPIs) plays an important role in the understanding of biological systems; however, the established methods for PPI analysis often involve cumbersome sample preparation, multiple detecting steps, and costly instruments. Here we report a versatile and sensitive electrochemical method based on PPI-induced distinctive migration behavior of DNA deoxyribozyme (DNAzyme) on an electrode surface. In this method, the cleavage activity of DNAzyme toward the substrate DNA modified on the electrode surface is inversely correlated with the hydrodynamic diameter of the macromolecule attached to it...
November 8, 2017: Analyst
Tawfiqur Rakib, Sourav Saha, Mohammad Motalab, Satyajit Mojumder, Md Mahbubul Islam
Silicene, a 2D analogue of graphene, has spurred a tremendous research interest in the scientific community for its unique properties essential for next-generation electronic devices. In this work, for the first time, we present a molecular dynamics (MD) investigation to determine the fracture strength and toughness of nanocrystalline silicene (nc-silicene) sheet of varying grain sizes and pre-existing cracks at room temperature. Our results suggest a transition from an inverse pseudo Hall-Petch to a pseudo Hall-Petch behaviour in nc-silicene at a critical grain size of 17...
November 7, 2017: Scientific Reports
Emmanuel E Egom, Haaris A Shiwani, Rebabonye B Pharithi, Rebecca Canning, Barkat Khan, Yassine El Hiani, Vincent Maher
Several epidemiological studies reported an inverse relationship between plasma high-density lipoprotein (HDL) cholesterol levels and atherosclerotic cardiovascular disease (ASCVD). However, therapeutic interventions targeted at raising HDL-cholesterol failed to improve cardiovascular outcomes, suggesting that HDL components distinct from cholesterol may account for the anti-atherothrombotic effects attributed to this lipoprotein. Sphingosine-1-phosphate (S1P) and the acute phase protein serum amyloid A (SAA) have been identified as integral constituents of HDL particles...
November 7, 2017: Clinical and Experimental Pharmacology & Physiology
Sonal Kumar, Prasad Rama, Ajay Singh Panwar
The effect of curvature and relative orientation between two curved graphene sheets in aqueous media is quantified by calculating the potential of mean force using molecular dynamics simulations and thermodynamic perturbation. The potential of mean force between two curved graphene sheets is found to scale as UCG ∼ R(0.5)d(-4.5), where R is the sheet radius of curvature and d is the inter-sheet distance. Further, a simple analytical calculation based on classical Hamaker theory and the Derjaguin approximation also arrives at the same scaling of interaction energy with respect to R and d...
November 7, 2017: Physical Chemistry Chemical Physics: PCCP
Damien Kiernan, Rory O'Sullivan, Ailish Malone, Timothy O'Brien, Ciaran K Simms
Background: Increased loading at the lumbar spine, particularly in the coronal plane, has been reported in children with cerebral palsy (CP). As pelvic and trunk movements associated with Trendelenburg and Duchenne type gait are most significant in the coronal plane, the potential exists for lower lumbar spinal loading to be negatively affected in children with CP and these types of movement patterns. Objective: The objective of this study was to assess trunk and pelvic kinematics and lower lumbar spinal loading patterns in children with CP and Trendelenburg and Duchenne type gait...
November 2, 2017: Physical Therapy
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