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Arman Boromand, Safa Jamali, João M Maia
Core-Modified Dissipative Particle Dynamics (CM-DPD) with a modified depletion potential and full hydrodynamics description is used to study non-equilibrium properties of colloidal gels with short range attraction potentials at an intermediate volume fraction (ϕ = 0.2) under start-up shear deformation. Full structural and rheological analysis using the stress fabric tensor complemented by bond number and bond distribution evolution under flow reveals that similarly to dilute colloidal gels, flow-induced anisotropy and strain-induced stretching of bonds are present during the first yielding transition...
December 2, 2016: Soft Matter
Mahdokht Masaeli, Dewal Gupta, Sean O'Byrne, Henry T K Tse, Daniel R Gossett, Peter Tseng, Andrew S Utada, Hea-Jin Jung, Stephen Young, Amander T Clark, Dino Di Carlo
We introduce a label-free method to rapidly phenotype and classify cells purely based on physical properties. We extract 15 biophysical parameters from cells as they deform in a microfluidic stretching flow field via high-speed microscopy and apply machine-learning approaches to discriminate different cell types and states. When employing the full 15 dimensional dataset, the technique robustly classifies individual cells based on their pluripotency, with accuracy above 95%. Rheological and morphological properties of cells while deforming were critical for this classification...
December 2, 2016: Scientific Reports
Jeong Chul Kim, Li Wang, Dinggang Shen, Weili Lin
The first year of life is the most critical time period for structural and functional development of the human brain. Combining longitudinal MR imaging and finite strain theory, this study aimed to provide new insights into normal brain development through a biomechanical framework. Thirty-three normal infants were longitudinally imaged using MRI from 2 weeks to 1 year of age. Voxel-wise Jacobian determinant was estimated to elucidate volumetric changes while Lagrange strains (both normal and shear strains) were measured to reveal directional growth information every 3 months during the first year of life...
December 2, 2016: Scientific Reports
T J Hilsabeck, J A Frenje, J D Hares, C W Wink
A time-resolved detector concept for the magnetic recoil spectrometer for time-resolved measurements of the NIF neutron spectrum is presented. The measurement is challenging due to the time spreading of the recoil protons (or deuterons) as they transit an energy dispersing magnet system. Ions arrive at the focal plane of the magnetic spectrometer over an interval of tens of nanoseconds. We seek to measure the time-resolved neutron spectrum with 20 ps precision by manipulating an electron signal derived from the ions...
November 2016: Review of Scientific Instruments
Tina Junne, Martin Spiess
The Sec61 translocon catalyzes translocation of proteins into the endoplasmic reticulum and the lateral integration of transmembrane segments into the lipid bilayer. Integration is mediated by the hydrophobicity of a polypeptide segment consistent with thermodynamic equilibration between the translocon and the lipid membrane. Integration efficiency of a generic series of increasingly hydrophobic sequences (H-segments) was found to diverge significantly in different reporter constructs as a function of the ∼100 residues carboxyterminal of the H-segments...
December 1, 2016: Journal of Cell Science
Riddhi Shah, Tomoo Ohashi, Harold P Erickson, Terrence G Oas
Globular proteins are not permanently folded, but spontaneously unfold and refold on time scales that can span orders of magnitudes for different proteins. A long-standing debate in the protein-folding field is whether unfolding rates or folding rates correlate to the stability of a protein. In the present study we have determined the unfolding and folding kinetics of ten FNIII domains. FNIII domains are one of the most common protein folds, and are present in 2% of animal proteins. FNIII domains are ideal for this study because they have an identical 7-strand beta sandwich structure, but they vary widely in sequence and thermodynamic stability...
November 30, 2016: Journal of Biological Chemistry
Aishani Ghosal, Binny J Cherayil
In an extension of earlier studies from this group on the application of the Jarzynski equality to the determination of the elastic properties of a finitely extensible Rouse model of polymers under flow [A. Ghosal and B. J. Cherayil, J. Chem. Phys. 144, 214902 (2016)], we derive several new theoretical results in this paper on the nature of the distribution function P(w) that governs the long-time limit t>1 of the fluctuations in the work w performed by the polymer during flow-induced stretching. In particular, we show that an expression for the average of the nth power of the work, ⟨w(n)(t)⟩, can be obtained in closed form in this limit, making it possible to exactly calculate three important statistical measures of P(w): the mean μ, the skewness γ1, and the kurtosis γ2 (apart from the variance σ(2))...
November 28, 2016: Journal of Chemical Physics
Daniel Leicht, Matin Kaufmann, Raffael Schwan, Jan Schäfer, Gerhard Schwaab, Martina Havenith
The IR spectrum of benzyl radical:water clusters was recorded. Benzyl radicals were produced by vacuum flash pyrolysis and trapped in superfluid helium nanodroplets. The infrared spectrum of benzyl radical water aggregates in the range 2585-2820 cm(-1) was recorded by subsequent addition of deuterated water. A total of seven peaks are observed at 2766, 2750, 2656, 2638, 2633, 2598, and 2593 cm(-1). Based on pressure dependent measurements and comparison to accompanying ab initio calculations, five of these bands are assigned to distinct O-D stretch vibrations of benzyl:water clusters with one and two water molecules...
November 28, 2016: Journal of Chemical Physics
Ryan C Fortenberry
The HNNS radical has been promoted recently as a viable intermediate in the interstellar creation of the spectroscopically elusive nitrogen molecule. Any confirmation of this pathway or utilizing HNNS as a tracer of N2 depends upon the ability to observe the radical intermediate whether in the laboratory or in the interstellar medium. Established and accurate quantum chemical procedures are employed here to produce spectroscopic constants, fundamental vibrational frequencies, and intensities that can be utilized for any possible detection of HNNS...
November 28, 2016: Journal of Chemical Physics
Young-Sik Sohn, Seong-Gyu Lee, Kwang-Hoon Lee, Bonsu Ku, Ho-Chul Shin, Sun-Shin Cha, Yeon-Gil Kim, Hyun Sook Lee, Sung-Gyun Kang, Byung-Ha Oh
A hypothetical protein TON_0340 of a Thermococcus species is a protein conserved in a variety of organisms including human. Herein, we present four different crystal structures of TON_0340, leading to the identification of an active-site cavity harboring a metal-binding site composed of six invariant aspartate and glutamate residues that coordinate one to three metal ions. Biochemical and mutational analyses involving many phosphorous compounds show that TON_0340 is a Mn2+-dependent phosphatase. Mg2+ binds to TON_0340 less tightly and activates the phosphatase activity less efficiently than Mn2+...
2016: PloS One
Rita Sahyoun, Paolo Guidetti, Antonio Di Franco, Serge Planes
Patterns of connectivity and self-recruitment are recognized as key factors shaping the dynamics of marine populations. Connectivity is also essential for maintaining and restoring natural ecological processes with genetic diversity contributing to the adaptation and persistence of any species in the face of global disturbances. Estimates of connectivity are crucial to inform the design of both marine protected areas (MPAs) and MPA networks. Among several approaches, genetic structure is frequently used as a proxy for patterns of connectivity...
2016: PloS One
Valery Fedorovich Sidorkin, Elena Fedorovna Belogolova, Yu Wang, Viatcheslav Jouikov, Evgeniya Pavlovna Doronina
Using 18 silatranes XSi(OCH2CH2)3N (1) as an example, the potentials of electrochemical oxidation E0 of the hypervalent compounds of Si were calculated for the first time at the ab initio and DFT levels. The experimental peak potentials Ep show an excellent agreement (MAE = 0.03) with the MP2//B3PW91 calculated E0 (C-PCM). Radical cations of 1 reveal a "stretch isomerism" of the NSi dative bond. Localization of the spin density (SD) on the substituent X and the short (s) coordination contact Si…N (dSiN < 2...
December 1, 2016: Chemistry: a European Journal
Takeshi Sano, Takashi Kobayashi, Hiromitsu Negoro, Atsushi Sengiku, Takuya Hiratsuka, Yuji Kamioka, Louis S Liou, Osamu Ogawa, Michiyuki Matsuda
To better understand the roles played by signaling molecules in the bladder, we established a protocol of intravital imaging of the bladder of mice expressing a Förster/fluorescence resonance energy transfer (FRET) biosensor for extracellular signal-regulated kinase (ERK), which plays critical roles not only in cell growth but also stress responses. With an upright two-photon excitation microscope and a vacuum-stabilized imaging window, cellular ERK activity was visualized in the whole bladder wall, from adventitia to urothelium...
November 2016: Physiological Reports
Montakarn Chaikumarn, Nuttika Nakphet, Prawit Janwantanakul
There is limited research on the effects of different types of rest-break interventions for VDU (Visual display Units) operators on neck and shoulder postures. This study examined the effect of rest-break interventions on the neck and shoulder postures of symptomatic VDU operators during prolonged computer work. Thirty subjects were randomly and equally assigned to breaks with stretching, breaks with dynamic movement, and passive breaks. Subjects performed the typing task for 60 min and received 3-min breaks after 20-min of work...
December 1, 2016: International Journal of Occupational Safety and Ergonomics: JOSE
Justyna A Niestrawska, Christian Viertler, Peter Regitnig, Tina U Cohnert, Gerhard Sommer, Gerhard A Holzapfel
Soft biological tissues such as aortic walls can be viewed as fibrous composites assembled by a ground matrix and embedded families of collagen fibres. Changes in the structural components of aortic walls such as the ground matrix and the embedded families of collagen fibres have been shown to play a significant role in the pathogenesis of aortic degeneration. Hence, there is a need to develop a deeper understanding of the microstructure and the related mechanics of aortic walls. In this study, tissue samples from 17 human abdominal aortas (AA) and from 11 abdominal aortic aneurysms (AAA) are systematically analysed and compared with respect to their structural and mechanical differences...
November 2016: Journal of the Royal Society, Interface
Magdalena Formella, Derek Gatherer
Viruses of the genus Ebolavirus are the causative agents of Ebola virus disease (EVD), of which there have been only 25 recorded outbreaks since the discovery of Zaire and Sudan ebolaviruses in the late 1970s. Until the west African outbreak commencing in late 2013, EVD was confined to an area of central Africa stretching from the coast of Gabon through the Congo river basin and eastward to the Great Lakes. Nevertheless, population serological studies since 1976, most of which were carried out in the first two decades after that date, have suggested a wider distribution and more frequent occurrence across tropical Africa...
October 21, 2016: Journal of General Virology
Amri Hammami, James Zois, Maamer Slimani, Mark Russel, Ezdine Bouhlel
INTRODUCTION: This review aimed (i) to evaluate the current research that examines the efficacy of warm-up (WU) and re-warm-up (RWU) on physical performance, and (ii) to highlight the WU and RWU characteristics that optimise subsequent performance in soccer players. EVIDENCE ACQUISITION: A computerized search was performed in the PubMed, ScienceDirect and Google Scholar (from 1995 to December 2015) for English-language, peer- reviewed investigations using the terms "soccer" OR "football" AND "warm-up" OR "stretching" OR "post-activation potentiation" OR "pre-activity" OR "re-warm-up" AND "performance" OR "jump" OR "sprint" OR "running"...
November 30, 2016: Journal of Sports Medicine and Physical Fitness
Kaviyarasu Kasinathan, John Kennedy, Manikandan Elayaperumal, Mohamed Henini, Maaza Malik
To photo-catalytically degrade RhB dye using solar irradiation, CeO2 doped TiO2 nanocomposites were synthesized hydrothermally at 700 °C for 9 hrs. All emission spectra showed a prominent band centered at 442 nm that was attributed to oxygen related defects in the CeO2-TiO2 nanocrystals. Two sharp absorption bands at 1418 cm(-1) and 3323 cm(-1) were attributed to the deformation and stretching vibration, and bending vibration of the OH group of water physisorbed to TiO2, respectively. The photocatalytic activities of Ce-TiO2 nanocrystals were investigated through the degradation of RhB under UV and UV+ visible light over a period of 8 hrs...
November 30, 2016: Scientific Reports
Gauri Misra, Shipra Gupta, Neetu Jabalia
Platinum coordination compounds having cis geometry are frequently prescribed for various types of cancers. Protein dysregulation is one of the major factors contributing towards cancer metastasis. Head and neck squamous cell carcinoma (HNSCC) is one of the cancers where platinum-based compounds are used either alone or in combination with radiation as therapy. The underlying interactions of these compounds with both DNA and proteins are crucial for the drug response. The compounds forms DNA adducts which are recognized by conserved, non-chromosomal high-mobility group box 1 (HMGB1) proteins...
November 30, 2016: Interdisciplinary Sciences, Computational Life Sciences
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