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Y F Duan, J Wang, S Jiang, Y Bi, X H Pang, S A Yin, Z Y Yang
Objective: To investigate the prevalence of calf muscle cramps and possible influencing factors for pregnant women in China. Methods: Using a multi-stage stratified probability proportional to size cluster randomization sampling method during 2010-2012. A total of 3 582 pregnant women were investigated at 150 counties from 31 provinces in China mainland. Information on calf muscle cramps, demographic socio-economic status, pregnancy information, and the physical activities was collected through questionnaires...
January 6, 2018: Zhonghua Yu Fang Yi Xue za Zhi [Chinese Journal of Preventive Medicine]
Giacomo Ariani, Nikolaas N Oosterhof, Angelika Lingnau
Different contexts require us either to react immediately, or to delay (or suppress) a planned movement. Previous studies that aimed at decoding movement plans typically dissociated movement preparation and execution by means of delayed-movement paradigms. Here we asked whether these results can be generalized to the planning and execution of immediate movements. To directly compare delayed, non-delayed, and suppressed reaching and grasping movements, we used a slow event-related functional magnetic resonance imaging (fMRI) design...
December 23, 2017: Cortex; a Journal Devoted to the Study of the Nervous System and Behavior
Rui Fu, Douglas K Owens, Margaret L Brandeau
BACKGROUND: Oral HIV pre-exposure prophylaxis (PrEP) has been recommended as a means of HIV prevention among people who inject drugs (PWID) but, at current prices, is unlikely to be cost-effective for all PWID. OBJECTIVE: To determine the cost-effectiveness of alternative strategies for enrolling PWID in PrEP. DESIGN: Dynamic network model that captures HIV transmission and progression among PWID in a representative US urban center. OUTCOME MEASURES: HIV infections averted, discounted costs and quality-adjusted life-years (QALYs), and incremental cost-effectiveness ratios (ICERs)...
January 13, 2018: AIDS
Taimoor Ashraf Ashraf, Meelad Ranaiefar, Sumit Khatri, Jamshid Kavosi, Frank Gardea, Bryan Glaz, Mohammad Naraghi
Safe operation and health of structures relies on their ability to effectively dissipate undesired vibrations, which could otherwise significantly reduce the life-time of a structure due to fatigue loads or large deformations. To address this issue, nanoscale fillers, such as carbon nanotubes (CNTs), have been utilized to dissipate mechanical energy in polymer-based nanocomposites through filler-matrix interfacial friction by benefitting from their large interface area with the matrix. In this manuscript, for the first time, we experimentally investigate the effect of CNT alignment with respect to reach other and their orientation with respect to the loading direction on vibrational damping in nanocomposites...
January 15, 2018: Nanotechnology
Anna Pavlova, Jerry M Parks, James C Gumbart
Corrinoid cofactors such as cobalamin are used by many enzymes and are essential for most living organisms. Therefore, there is broad interest in investigating cobalamin-protein interactions with molecular dynamics simulations. Previously developed parameters for cobalamins are based mainly on crystal structure data. Here, we report CHARMM-compatible force field parameters for several corrinoids developed from quantum mechanical calculations. We provide parameters for corrinoids in three oxidation states, Co3+, Co2+ and Co1+, and with various axial ligands...
January 15, 2018: Journal of Chemical Theory and Computation
Amaleswari Rasamsetty, Chinmoy Das, E Carolina Sañudo, Maheswaran Shanmugam, Viswanathan Baskar
A series of three isostructural tetranuclear complexes with the general molecular formula [Ln4(μ3-OH)4(L)4(μ2-piv)4(MeOH)4] (Ln = Gd 1, Dy 2 and Ho 3; LH = [1,3-bis(o-methoxyphenyl)-propane-1,3-dione]) were isolated and unambiguously characterized by single crystal XRD. Under similar reaction conditions, simply changing the co-ligand from pivalate to 2,6-bis(hydroxymethyl)-p-cresol (LH'3) led to the isolation of dinuclear Ln(iii) complexes with the general molecular formula [Ln2(L)4(μ2-LH'2)2]·4DMF (Ln = Gd 4, Dy 5 and Ho 6)...
January 15, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Zhiqiang Zhao, Hang Yin, Kun Cai, Wanqi Zhou
The mechanical properties of black phosphorus (BP) are anisotropic. Correspondingly, the properties of the nanotubes formed by bending the same BP ribbon along different directions are different as well. When bending the ribbon along the [110] direction (i.e., stair direction), or along its perpendicular direction (i.e., ps-direction), s- or ps-BPNT can be obtained. The two types of BPNTs are investigated via molecular dynamics (MD) simulations on their thermal and mechanical properties. The results indicate that, for the thermal stability of the s-BPNTs with similar diameters, s-BPNT is weaker than a-BPNTs (armchair type) but stronger than ps-BPNT, and z-BPNT (zigzag type) is the weakest one...
January 15, 2018: Physical Chemistry Chemical Physics: PCCP
Toufik Sadi, Adnan Mehonic, Luca Montesi, Mark Buckwell, Anthony Kenyon, Asen Asenov
We employ an advanced three-dimensional (3D) electro-thermal simulator to explore the physics and potential of oxide-based resistive random-access memory (RRAM) cells. The physical simulation model has been developed recently, and couples a kinetic Monte Carlo study of electron and ionic transport to the self-heating phenomenon while accounting carefully for the physics of vacancy generation and recombination, and trapping mechanisms. The simulation framework successfully captures resistance switching, including the electroforming, set and reset processes, by modeling the dynamics of conductive filaments in the 3D space...
January 15, 2018: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Anatolii Mokshin, Bulat N Galimzyanov
The dynamic structure factor is the quantity, which can be measured by means of Brillouin light-scattering as well as by means of inelastic scattering of neutrons and X-rays. The spectral (or frequency) moments of the dynamic structure factor define directly the sum rules of the scattering law. The theoretical scheme formulated in this study allows one to describe the dynamics of local density fluctuations in simple liquids and to obtain the expression of the dynamic structure factor in terms of the spectral moments...
January 15, 2018: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Dhamodharan Prabhu, Sundaraj Rajamanikandan, Mathimaran Amala, Surekha Kanagarajan, Jeyaraman Jeyakanthan
Lymphatic filariasis is a debilitating vector borne parasitic disease that infects human lymphatic system by nematode Brugia malayi. Currently available anti-filarial drugs are effective only on the larval stages of parasite. So far, no effective drugs are available for humans to treat filarial infections. In this regard, aspartate semialdehyde dehydrogenase (ASDase) in lysine biosynthetic pathway from Wolbachia endosymbiont Brugia malayi represents an attractive therapeutic target for the development of novel anti-filarial agents...
January 15, 2018: Journal of Biomolecular Structure & Dynamics
Teodora Djikic, Yasmina Martí, Francesca Spyrakis, Thorsten Lau, Paolo Benedetti, Gavin Davey, Patrick Schloss, Kemal Yelekci
Parkinson's disease (PD) is characterized by the loss of dopamine-generating neurons in the substantia nigra (SN) and corpus striatum (CS). Current treatments alleviate PD symptoms rather than exerting neuroprotective effect on dopaminergic neurons. New drugs targeting the dopaminergic neurons by specific uptake through the human dopamine transporter (hDAT) could represent a viable strategy for establishing selective neuroprotection. Molecules able to increase the bioactive amount of extracellular dopamine (DA), thereby enhancing and compensating a loss of dopaminergic neurotransmission, and to exert neuroprotective response because of their accumulation in the cytoplasm, are required...
January 15, 2018: Journal of Biomolecular Structure & Dynamics
Jiali Gu, Hongfei Tong, Laiyu Sun, Zhijian Lin
Mandelate racemase from Pseudomonas putida is a promising candidate for the dynamic kinetic resolution of α-hydroxy carboxylic acids. In the present study, the thermal stability of mandelate racemase was investigated through molecular dynamics simulations in the temperature range of 303 K to 363 K, which can guide the design of mandelate racemase with higher stability. The basic features such as radius of gyration, surface accessibility, and secondary structure content suggested the instability of mandelate racemase at high temperatures...
January 15, 2018: Journal of Biomolecular Structure & Dynamics
Bernd Uhl, Stephanie Hirn, Karina Mildner, Raffaele Coletti, Steffen Massberg, Christoph A Reichel, Markus Rehberg, Dagmar Zeuschner, Fritz Krombach
AIM: To optimize the design of nanoparticles for diagnosis or therapy of vascular diseases, it is mandatory to characterize the determinants of nano-bio interactions in vascular lesions. MATERIALS & METHODS: Using ex vivo and in vivo microscopy, we analyzed the interactive behavior of quantum dots with different surface functionalizations in atherosclerotic lesions of ApoE-deficient mice. RESULTS: We demonstrate that quantum dots with different surface functionalizations exhibit specific interactive behaviors with distinct molecular and cellular components of the injured vessel wall...
January 15, 2018: Nanomedicine
Mikael T Ekvall, Jonas Hedberg, Inger Odnevall Wallinder, Lars-Anders Hansson, Tommy Cedervall
As the production and usage of nanomaterials are increasing so are the concerns related to the release of the material into nature. Tungsten carbide (WC) is widely used for its hard metal properties, although its use, in for instance tyre studs, may result in nano-sized particles ending up in nature. Here, we evaluate the potential long-term exposure effects of WC nanoparticles on a pelagic (Daphnia magna) and a benthic (Asellus aquaticus) organism. No long-term effects were observed in the benthic system with respect to population dynamics or ecosystem services...
January 15, 2018: Nanotoxicology
Arda Kotikian, Ryan L Truby, John William Boley, Timothy J White, Jennifer A Lewis
Liquid crystal elastomers (LCEs) are soft materials capable of large, reversible shape changes, which may find potential application as artificial muscles, soft robots, and dynamic functional architectures. Here, the design and additive manufacturing of LCE actuators (LCEAs) with spatially programed nematic order that exhibit large, reversible, and repeatable contraction with high specific work capacity are reported. First, a photopolymerizable, solvent-free, main-chain LCE ink is created via aza-Michael addition with the appropriate viscoelastic properties for 3D printing...
January 15, 2018: Advanced Materials
Gengsheng Weng, Srinivas Thanneeru, Jie He
New fluorochromic materials that reversibly change their emission properties in response to their environment are of interest for the development of sensors and light-emitting materials. A new design of Eu-containing polymer hydrogels showing fast self-healing and tunable fluorochromic properties in response to five different stimuli, including pH, temperature, metal ions, sonication, and force, is reported. The polymer hydrogels are fabricated using Eu-iminodiacetate (IDA) coordination in a hydrophilic poly(N,N-dimethylacrylamide) matrix...
January 15, 2018: Advanced Materials
Christoph Bauer, Romain Duwald, Geraldine Maria Labrador, Simon Pascal, Pau Moneva Lorente, Johann Bosson, Jérôme Lacour, Jean-David Rochaix
Twelve cationic helicenes and one triangulene were tested for the specific labeling of mitochondria from algal cells. Octyl ester derivative 5 readily penetrates algal cells and gives rise to clear fluorescence patterns when it is used at concentrations in the μM range. Under these conditions, cell structures are well preserved and cell survival is not compromised. Cationic helicene compounds such as 5 provide new useful tools for examining the mitochondrial network and its dynamics including fission and fusion events...
January 15, 2018: Organic & Biomolecular Chemistry
Ben J Wolf, Jonathan A S Morton, William Bill N MacPherson, Sietse M van Netten
We present the design, fabrication and testing of a novel all-optical 2D flow velocity sensor, inspired by a fish lateral line neuromast. This artificial neuromast consists of optical fibres inscribed with Bragg gratings supporting a fluid force recipient sphere. Its dynamic response is modelled based on the Stokes solution for unsteady flow around a sphere and found to agree with experimental results. Tuneable mechanical resonance is predicted, allowing a deconvolution scheme to accurately retrieve fluid flow speed and direction from sensor readings...
January 15, 2018: Bioinspiration & Biomimetics
Xiao Chen, Tian Xie, Jingqin Fang, Wei Xue, Houyi Kang, Haipeng Tong, Yu Guo, Bo Zhang, Sumei Wang, Yizeng Yang, Weiguo Zhang
Glomeruloid vascular proliferation (GVP) is a diagnostic hallmark and links to aggressive behavior, therapy resistance and poor prognosis in glioblastoma (GBM). It lacks clinical approaches to predict and monitor its formation and dynamic change. Yet the mechanism of GVPs also remains largely unknown. Using an in situ GBM xenograft mouse model, combined clinical MRI images of pre-surgery tumor and pathological investigation, we demonstrated that the inhibition of tissue factor (TF) decreased GVPs in Mouse GBM xenograft model...
January 15, 2018: Cancer Biology & Therapy
William A Bragg, Alaine Garrett, Elizabeth I Hamelin, Rebecca M Coleman, Katrina Campbell, Christopher T Elliott, Rudolph C Johnson
AIM: An immunomagnetic capture protocol for use with LC-MS was developed for the quantitation of saxitoxin (STX) in human urine. MATERIALS & METHODS: This method uses monoclonal antibodies coupled to magnetic beads. STX was certified reference material grade from National Research Council, Canada. Analysis was carried out using LC-MS. RESULTS: With an extraction efficiency of 80%, accuracy and precision of 93.0-100.2% and 5.3-12.6%, respectively, and a dynamic range of 1...
January 15, 2018: Bioanalysis
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