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https://www.readbyqxmd.com/read/28092864/augmentation-of-humoral-and-cellular-immunity-in-response-to-tetanus-and-diphtheria-toxoids-by-supercritical-carbon-dioxide-extracts-of-hippophae-rhamnoides-l-leaves
#1
Bindhya Jayashankar, Divya Singh, Himanshi Tanwar, K P Mishra, Swetha Murthy, Sudipta Chanda, Jigni Mishra, R Tulswani, K Misra, S B Singh, Lilly Ganju
Hippophae rhamnoides L. commonly known as Seabuckthorn (SBT), a wild shrub of family Elaegnacea, has extensively used for treating various ailments like skin diseases, jaundice, asthma, lung troubles. SBT leaves have been reported to possess several pharmacological properties including immunomodulatory, antioxidant, anti-inflammatory, antimicrobial and tissue regeneration etc. The present study was undertaken to evaluate the adjuvant property of supercritical carbon dioxide extracts (SCEs 300ET and 350ET) of SBT leaves in balb/c mice immunized with Tetanus and Diphtheria toxoids...
January 13, 2017: International Immunopharmacology
https://www.readbyqxmd.com/read/28092836/antiviral-drug-acyclovir-exhibits-antitumor-activity-via-targeting-%C3%AE-trcp1-molecular-docking-and-dynamics-simulation-study
#2
Shagufta Shafique, Sajid Rashid
The critical role of βTrCP1 in cancer development makes it a discerning target for the development of small drug like molecules. Currently, no inhibitor exists that is able to target its substrate binding site. Through molecular docking and dynamics simulation assays, we explored the comparative binding pattern of βTrCP1-WD40 domain with ACV and its phospho-derivatives (ACVMP, ACVDP and ACVTP). Consequently, through principal component analysis, βTrCP1-ACVTP was found to be more stable complex by obscuring a reduced conformational space than other systems...
December 31, 2016: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28092835/effects-of-the-central-potassium-ions-on-the-g-quadruplex-and-stabilizer-binding
#3
Zhiguo Wang, Jun-Ping Liu
Human telomeres undertake the structure of intra-molecular parallel G-quadruplex in the presence of K(+) in eukaryotic cell. Stabilization of the telomere G-quadruplex represents a potential strategy to prevent telomere lengthening by telomerase in cancer therapy. Current work demonstrates that the binding of central K(+) with the parallel G-quadruplex is a coordinated water directed step-wise process. The K(+) above the top G-tetrad is prone to leak into environment and the 5'-adenine quickly flips over the top G-tetrad, leading to the bottom gate of G-tetrads as the only viable pathway of K(+) binding...
January 6, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28092832/sampling-conformational-space-of-intrinsically-disordered-proteins-in-explicit-solvent-comparison-between-well-tempered-ensemble-approach-and-solute-tempering-method
#4
Mengzhi Han, Ji Xu, Ying Ren
Intrinsically disordered proteins (IDPs) are a class of proteins that expected to be largely unstructured under physiological conditions. Due to their heterogeneous nature, experimental characterization of IDP is challenging. Temperature replica exchange molecular dynamics (T-REMD) is a widely used enhanced sampling method to probe structural characteristics of these proteins. However, its application has been hindered due to its tremendous computational cost, especially when simulating large systems in explicit solvent...
December 28, 2016: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28092829/enhancing-4-propylheptane-dissociation-with-nickel-nanocluster-based-on-molecular-dynamics-simulations
#5
Margarita G Ilyina, Edward M Khamitov, Rail N Galiakhmetov, Ildar A Mustafin, Akhat G Mustafin
In the present work, a 0.4nm nickel cluster has been theoretically studied. Its equilibrium structural parameters have been calculated by the DFT method based on the PBEH1PBE hybrid functional and split-valence basis set Lanl2DZ including effective core potentials. We have systematically considered diverse spin states of this cluster and find out its ground state. The relative stability of these states depends on the HOMO-LUMO gap. The interaction of the Ni6 with 4-propylheptane С10Н22 has been studied to simulate the process of catalytic cracking of hydrocarbons...
January 3, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28092816/encapsulation-of-cisplatin-in-a-pegylated-calcium-phosphate-nanoparticle-cpnp-for-enhanced-cytotoxicity-to-cancerous-cells
#6
Yang Ding, Kang Zhai, Pei Pei, Yue Lin, Yinchu Ma, Huixia Zhu, Mingfeng Shao, Xianzhu Yang, Wei Tao
HYPOTHESIS: Exchange of the chloride ion (Cl(-)) ligands of cisplatin with carboxylates is widely used in fabricating cisplatin loaded nanoparticles for improved cancer therapy. However, the dynamic exchange may cause premature cisplatin release and even disintegration of the nanoparticles in Cl(-)-containing medium such as in plasma. Molecules bearing carboxylates are capable of mediating the mineralization process of calcium phosphate; therefore, it is possible to overcome the disadvantage by sequestering cisplatin in a calcium phosphate nanoparticle (CPNP)...
January 11, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28092796/global-open-data-management-in-metabolomics
#7
REVIEW
Kenneth Haug, Reza M Salek, Christoph Steinbeck
Chemical Biology employs chemical synthesis, analytical chemistry and other tools to study biological systems. Recent advances in both molecular biology such as next generation sequencing (NGS) have led to unprecedented insights towards the evolution of organisms' biochemical repertoires. Because of the specific data sharing culture in Genomics, genomes from all kingdoms of life become readily available for further analysis by other researchers. While the genome expresses the potential of an organism to adapt to external influences, the Metabolome presents a molecular phenotype that allows us to asses the external influences under which an organism exists and develops in a dynamic way...
January 13, 2017: Current Opinion in Chemical Biology
https://www.readbyqxmd.com/read/28092768/mercury-levels-in-herring-gulls-and-fish-42-years-of-spatio-temporal-trends-in-the-great-lakes
#8
E Agnes Blukacz-Richards, Ariola Visha, Matthew L Graham, Daryl L McGoldrick, Shane R de Solla, David J Moore, George B Arhonditsis
Total mercury levels in aquatic birds and fish communities have been monitored across the Canadian Great Lakes by Environment and Climate Change Canada (ECCC) for the past 42 years (1974-2015). These data (22 sites) were used to examine spatio-temporal variability of mercury levels in herring gull (Larus argentatus) eggs, lake trout (Salvelinus namaycush), walleye (Sander vitreus), and rainbow smelt (Osmerus mordax). Trends were quantified with dynamic linear models, which provided time-variant rates of change of mercury concentrations...
December 30, 2016: Chemosphere
https://www.readbyqxmd.com/read/28092740/temporal-variations-in-early-developmental-decisions-an-engine-of-forebrain-evolution
#9
REVIEW
H Bielen, S Pal, S Tole, C Houart
Tight control of developmental timing is pivotal to many major processes in developmental biology, such as patterning, fate specification, cell cycle dynamics, cell migration and connectivity. Temporal change in these ontogenetic sequences is known as heterochrony, a major force in the evolution of body plans and organogenesis. In the last 5 years, studies in fish and rodents indicate that heterochrony in signaling during early development generates diversity in forebrain size and complexity. Here, we summarize these findings and propose that, additionally to spatio-temporal tuning of neurogenesis, temporal and quantitative modulation of signaling events drive pivotal changes in shape, size and complexity of the forebrain across evolution, participating to the generation of diversity in animal behavior and emergence of cognition...
January 13, 2017: Current Opinion in Neurobiology
https://www.readbyqxmd.com/read/28092739/an-emg-driven-biomechanical-model-of-the-canine-cervical-spine
#10
M Alizadeh, G G Knapik, J S Dufour, C Zindl, M J Allen, J Bertran, N Fitzpatrick, W S Marras
Due to the frequency of cervical spine injuries in canines, the purpose of this effort was to develop an EMG-driven dynamic model of the canine cervical spine to assess a biomechanical understanding that enables one to investigate the risk of neck disorders. A canine subject was recruited in this investigation in order to collect subject specific data. Reflective markers and a motion capture system were used for kinematic measurement; surface electrodes were used to record electromyography signals, and with the aid of force plate kinetics were recorded...
December 26, 2016: Journal of Electromyography and Kinesiology
https://www.readbyqxmd.com/read/28092689/three-dimensional-imaging-of-dislocation-dynamics-during-the-hydriding-phase-transformation
#11
A Ulvestad, M J Welland, W Cha, Y Liu, J W Kim, R Harder, E Maxey, J N Clark, M J Highland, H You, P Zapol, S O Hruszkewycz, G B Stephenson
Crystallographic imperfections significantly alter material properties and their response to external stimuli, including solute-induced phase transformations. Despite recent progress in imaging defects using electron and X-ray techniques, in situ three-dimensional imaging of defect dynamics remains challenging. Here, we use Bragg coherent diffractive imaging to image defects during the hydriding phase transformation of palladium nanocrystals. During constant-pressure experiments we observe that the phase transformation begins after dislocation nucleation close to the phase boundary in particles larger than 300 nm...
January 16, 2017: Nature Materials
https://www.readbyqxmd.com/read/28092656/influence-of-node-abundance-on-signaling-network-state-and-dynamics-analyzed-by-mass-cytometry
#12
Xiao-Kang Lun, Vito R T Zanotelli, James D Wade, Denis Schapiro, Marco Tognetti, Nadine Dobberstein, Bernd Bodenmiller
Signaling networks are key regulators of cellular function. Although the concentrations of signaling proteins are perturbed in disease states, such as cancer, and are modulated by drug therapies, our understanding of how such changes shape the properties of signaling networks is limited. Here we couple mass-cytometry-based single-cell analysis with overexpression of tagged signaling proteins to study the dependence of signaling relationships and dynamics on protein node abundance. Focusing on the epidermal growth factor receptor (EGFR) signaling network in HEK293T cells, we analyze 20 signaling proteins during a 1-h EGF stimulation time course using a panel of 35 antibodies...
January 16, 2017: Nature Biotechnology
https://www.readbyqxmd.com/read/28092634/correlation-of-cation-distribution-with-the-hyperfine-and-magnetic-behaviour-of-ni0-3zn0-4co0-2cu0-1fe2o4-nanoparticles-and-their-microwave-absorption-properties-when-encapsulated-in-multi-walled-carbon-nanotubes
#13
Madhumita Dalal, Ayan Mallick, Jean-Marc Greneche, Dipankar Das, Pabitra K Chakrabarti
Nanocrystalline samples of Ni0.3Zn0.4Co0.2Cu0.1Fe2O4 (NZCCF) are prepared by a simple co-precipitation method. To obtain nanoparticles of different sizes, the as prepared sample is annealed at 400, 600, 800 and 1000 °C. Nanoparticles of the sample annealed at 600 °C are encapsulated in multi-walled carbon nanotubes (MWCNT). To confirm the crystallographic phase, x-ray diffraction (XRD) patterns are analyzed by the Rietveld method and cation distribution in A- and B-sites is estimated from the analysis. Occupancy of Zn(2+) ions in A-site and that of Fe(3+) ions in B-site increase with the increase of annealing temperature (T A) and lattice parameters lie within 8...
January 16, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28092632/the-tilt-dependent-potential-of-mean-force-of-a-pair-of-dna-oligomers-from-all-atom-molecular-dynamics-simulations
#14
Ruggero Cortini, Xiaolin Cheng, Jeremy C Smith
Electrostatic interactions between DNA molecules have been extensively studied experimentally and theoretically, but several aspects (e.g. its role in determining the pitch of the cholesteric DNA phase) still remain unclear. Here, we performed large-scale all-atom molecular dynamics simulations in explicit water and 150 mM sodium chloride, to reconstruct the potential of mean force (PMF) of two DNA oligomers 24 base pairs long as a function of their interaxial angle and intermolecular distance. We find that the potential of mean force is dominated by total DNA charge, and not by the helical geometry of its charged groups...
January 16, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28092628/ultrafast-adiabatic-second-harmonic-generation
#15
Asaf Dahan, Assaf Levanon, Mordechai Katz, Haim Suchowski
We introduce a generalization of the adiabatic frequency conversion method for an efficient conversion of ultrashort pulses in the full nonlinear regime. Our analysis takes into account dispersion as well as two-photon processes and Kerr effect, allowing complete analysis of any three waves with arbitrary phase mismatched design and any nonlinear optical process. We use this analysis to design an efficient and robust second harmonic generation, the most widely used nonlinear process for both fundamental and applied research...
January 16, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28092627/the-effect-of-surface-transport-on-water-desalination-by-porous-electrodes-undergoing-capacitive-charging
#16
Amit N Shocron, Matthew E Suss
Capacitive deionization (CDI) is a technology in which water is desalinated by ion electrosorption into the electric double layers (EDLs) of charging porous electrodes. In recent years significant advances have been made in modeling the charge and salt dynamics in a CDI cell, but the possible effect of surface transport within diffuse EDLs on these dynamics has not been investigated. We here present theory which includes surface transport in describing the dynamics of a charging CDI cell. Through our numerical solution to the presented models, the possible effect of surface transport on the CDI process is elucidated...
January 16, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28092614/the-distribution-of-different-virulence-grass-carp-reovirus-strains-in-some-neglected-tissues
#17
H R Liang, X Z Fu, N Q Li, L H Liu, Q Lin, Y G Li, Y A Peng, Z B Huang, S Q Wu
Grass carp reovirus (GCRV) is the causative agent of hemorrhagic disease in infected grass carp. During an outbreak, a mortality rate of up to 85% can be experienced, thus leading to substantial economic losses. The current understanding of disease pathogenesis is limited, with the distribution and dynamics of replication amongst different GCRV strains in vivo largely unknown. We determined distribution of different GCRV strains in infected grass carp, especially in some neglected tissues, such as the gill, brain, blood and so on...
December 1, 2016: Polish Journal of Veterinary Sciences
https://www.readbyqxmd.com/read/28092596/a-general-framework-of-dynamic-constrained-multiobjective-evolutionary-algorithms-for-constrained-optimization
#18
Sanyou Zeng, Ruwang Jiao, Changhe Li, Xi Li, Jawdat S Alkasassbeh
A novel multiobjective technique is proposed for solving constrained optimization problems (COPs) in this paper. The method highlights three different perspectives: 1) a COP is converted into an equivalent dynamic constrained multiobjective optimization problem (DCMOP) with three objectives: a) the original objective; b) a constraint-violation objective; and c) a niche-count objective; 2) a method of gradually reducing the constraint boundary aims to handle the constraint difficulty; and 3) a method of gradually reducing the niche size aims to handle the multimodal difficulty...
January 16, 2017: IEEE Transactions on Cybernetics
https://www.readbyqxmd.com/read/28092592/adaptive-fuzzy-bounded-control-for-consensus-of-multiple-strict-feedback-nonlinear-systems
#19
Wei Wang, Shaocheng Tong
This paper studies the adaptive fuzzy bounded control problem for leader-follower multiagent systems, where each follower is modeled by the uncertain nonlinear strict-feedback system. Combining the fuzzy approximation with the dynamic surface control, an adaptive fuzzy control scheme is developed to guarantee the output consensus of all agents under directed communication topologies. Different from the existing results, the bounds of the control inputs are known as a priori, and they can be determined by the feedback control gains...
January 10, 2017: IEEE Transactions on Cybernetics
https://www.readbyqxmd.com/read/28092589/policy-iteration-for-h%C3%A2-optimal-control-of-polynomial-nonlinear-systems-via-sum-of-squares-programming
#20
Yuanheng Zhu, Dongbin Zhao, Xiong Yang, Qichao Zhang
Sum of squares (SOS) polynomials have provided a computationally tractable way to deal with inequality constraints appearing in many control problems. It can also act as an approximator in the framework of adaptive dynamic programming. In this paper, an approximate solution to the H∞ optimal control of polynomial nonlinear systems is proposed. Under a given attenuation coefficient, the Hamilton-Jacobi-Isaacs equation is relaxed to an optimization problem with a set of inequalities. After applying the policy iteration technique and constraining inequalities to SOS, the optimization problem is divided into a sequence of feasible semidefinite programming problems...
January 10, 2017: IEEE Transactions on Cybernetics
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