55 research outputs found
Mean-Field Theory of Water-Water Correlations in Electrolyte Solutions
Long-range ion induced water-water correlations were recently observed in
femtosecond elastic second harmonic scattering experiments of electrolyte
solutions. To further the qualitative understanding of these correlations, we
derive an analytical expression that quantifies ion induced dipole-dipole
correlations in a non-interacting gas of dipoles. This model is a logical
extension of Debye-H\"uckel theory that can be used to qualitatively understand
how the combined electric field of the ions induces correlations in the
orientational distributions of the water molecules in an aqueous solution. The
model agrees with results from molecular dynamics simulations and provides an
important starting point for further theoretical work
Three-Dimensional Analysis of Base-Isolated Structures
Base isolation has become a widely accepted method for earthquake resistant design of structures. However, the research in the field has been generally restricted to one-dimensional motion. Structural response is not limited to this one-dimensional motion, and the torsional effect of multidimensional motion contributes to the horizontal displacements. A three-dimensional structure can not be modeled with multiple one-dimensional analyses; rather, a complete three-dimensional analysis must be undertaken, as shown in this study.Four separate analyses for the calculation of the dynamic response of a base-isolated structure will be presented in this study. The first two analysis procedures are for a single-story base-isolated structure. The last two procedures are for a multi-story base-isolated structure. The first procedure for each structure assumes a fully linear response, in which the bearings and the superstructure remain in the linear elastic range of response. The second procedure allows for a non-linear response from the bearings, in which each individual bearing may yield, changing the effective stiffness value.The structural response for each of these cases will be calculated using computer analysis and compared with one another and also with a single-degree of freedom system. The results will be discussed at the end of this study
Second-Harmonic Scattering as a Probe of Structural Correlations in Liquids
Second-harmonic scattering experiments of water and other bulk molecular
liquids have long been assumed to be insensitive to interactions between the
molecules. The measured intensity is generally thought to arise from incoherent
scattering due to individual molecules. We introduce a method to compute the
second-harmonic scattering pattern of molecular liquids directly from atomistic
computer simulations, which takes into account the coherent terms. We apply
this approach to large-scale molecular dynamics simulations of liquid water,
where we show that nanosecond second-harmonic scattering experiments contain a
coherent contribution arising from radial and angular correlations on a length
scale of < 1 nm, much shorter than had been recently hypothesized (Shelton, D.
P. J. Chem. Phys. 2014, 141). By combining structural correlations from
simulations with experimental data (Shelton, D. P. J. Chem. Phys. 2014, 141),
we can also extract an effective molecular hyperpolarizability in the liquid
phase. This work demonstrates that second-harmonic scattering experiments and
atomistic simulations can be used in synergy to investigate the structure of
complex liquids, solutions, and biomembranes, including the intrinsic
intermolecular correlations
Solvent Fluctuations and Nuclear Quantum Effects Modulate the Molecular Hyperpolarizability of Water
Second-Harmonic Scatteringh (SHS) experiments provide a unique approach to
probe non-centrosymmetric environments in aqueous media, from bulk solutions to
interfaces, living cells and tissue. A central assumption made in analyzing SHS
experiments is that the each molecule scatters light according to a constant
molecular hyperpolarizability tensor . Here, we
investigate the dependence of the molecular hyperpolarizability of water on its
environment and internal geometric distortions, in order to test the hypothesis
of constant . We use quantum chemistry calculations
of the hyperpolarizability of a molecule embedded in point-charge environments
obtained from simulations of bulk water. We demonstrate that both the
heterogeneity of the solvent configurations and the quantum mechanical
fluctuations of the molecular geometry introduce large variations in the
non-linear optical response of water. This finding has the potential to change
the way SHS experiments are interpreted: in particular, isotopic differences
between HO and DO could explain recent second-harmonic scattering
observations. Finally, we show that a simple machine-learning framework can
predict accurately the fluctuations of the molecular hyperpolarizability. This
model accounts for the microscopic inhomogeneity of the solvent and represents
a first step towards quantitative modelling of SHS experiments
Ion-induced transient potential fluctuations facilitate pore formation and cation transport through lipid membranes
Unassisted ion transport through lipid membranes plays a crucial role in many
cell functions without which life would not be possible, yet the precise
mechanism behind the process remains unknown due to its molecular complexity.
Here, we demonstrate a direct link between membrane potential fluctuations and
divalent ion transport. High-throughput wide-field second harmonic (SH)
microscopy shows that membrane potential fluctuations are universally found in
lipid bilayer systems. Molecular dynamics simulations reveal that such
variations in membrane potential reduce the free energy cost of transient pore
formation and increase the ion flux across an open pore. These transient pores
can act as conduits for ion transport, which we SH image for a series of
divalent cations (Cu, Ca, Ba, Mg) passing through
GUV membranes. Combining the experimental and computational results, we show
that permeation through pores formed via an ion-induced electrostatic field is
a viable mechanism for unassisted ion transport.Comment: 8 pages, 2 figure
A novel 3D biofabrication strategy to improve cell proliferation and differentiation of human Wharton’s jelly mesenchymal stromal cells for cell therapy and tissue engineering
Purpose: Obtaining sufficient numbers of cells in a short time is a major goal of cell culturing in cell therapy and tissue engineering. However, current bidimensional (2D) culture methods are associated to several limitations, including low efficiency and the loss of key cell differentiation markers on cultured cells.Methods: In the present work, we have designed a novel biofabrication method based on a three-dimensional (3D) culture system (FIBRIAGAR-3D). Human Wharton’s jelly mesenchymal stromal cells (HWJSC) were cultured in 3D using 100%, 75%, 50%, and 25% concentrations of fibrin-agarose biomaterials (FA100, FA75, FA50 and FA25 group) and compared with control cells cultured using classical 2D systems (CTR-2D).Results: Our results showed a significant increase in the number of cells generated after 7 days of culture, with cells displaying numerous expansions towards the biomaterial, and a significant overexpression of the cell proliferation marker KI67 was found for the FA75 and FA100 groups. TUNEL and qRT-PCR analyses demonstrated that the use of FIBRIAGAR-3D was not associated with an induction of apoptosis by cultured cells. Instead, the 3D system retained the expression of typical phenotypic markers of HWJSC, including CD73, CD90, CD105, NANOG and OCT4, and biosynthesis markers such as types-I and IV collagens, with significant increase of some of these markers, especially in the FA100 group. Finally, our analysis of 8 cell signaling molecules revealed a significant decrease of GM-CSF, IFN-g, IL2, IL4, IL6, IL8, and TNFα, suggesting that the 3D culture system did not induce the expression of pro-inflammatory molecules.Conclusion: These results confirm the usefulness of FIBRIAGAR-3D culture systems to increase cell proliferation without altering cell phenotype of immunogenicity and opens the door to the possibility of using this novel biofabrication method in cell therapy and tissue engineering of the human cornea, oral mucosa, skin, urethra, among other structures
COMAP Early Science: VI. A First Look at the COMAP Galactic Plane Survey
We present early results from the COMAP Galactic Plane Survey conducted
between June 2019 and April 2021, spanning in Galactic
longitude and |b|<1.\!\!^{\circ}5 in Galactic latitude with an angular
resolution of . The full survey will span -
and will be the first large-scale radio continuum survey at
GHz with sub-degree resolution. We present initial results from the first part
of the survey, including diffuse emission and spectral energy distributions
(SEDs) of HII regions and supernova remnants. Using low and high frequency
surveys to constrain free-free and thermal dust emission contributions, we find
evidence of excess flux density at GHz in six regions that we interpret
as anomalous microwave emission. Furthermore we model UCHII contributions using
data from the GHz CORNISH catalogue and reject this as the cause of the
GHz excess. Six known supernova remnants (SNR) are detected at GHz,
and we measure spectral indices consistent with the literature or show evidence
of steepening. The flux density of the SNR W44 at GHz is consistent with
a power-law extrapolation from lower frequencies with no indication of spectral
steepening in contrast with recent results from the Sardinia Radio Telescope.
We also extract five hydrogen radio recombination lines to map the warm ionized
gas, which can be used to estimate electron temperatures or to constrain
continuum free-free emission. The full COMAP Galactic plane survey, to be
released in 2023/2024, will be an invaluable resource for Galactic
astrophysics.Comment: Paper 6 of 7 in series. 28 pages, 10 figures, submitted to Ap
Damage-free seismic-resistant self-centering concentrically-braced frames
A self-centering concentrically-braced frame (SC-CBF) system was developed to resist earthquake loading without structural damage or residual drift. An SC-CBF is a concentrically-braced frame with column base details that permit column uplift at a specified level of lateral force. This column uplift and the subsequent rocking of the SC-CBF soften the lateral force-lateral drift behavior of the system. Vertically-oriented post-tensioning bars provide restoring force and self-centering behavior that reduces the potential for residual drift. The SC-CBF members are designed to remain elastic under the design basis earthquake. Energy dissipation elements can be used to reduce the response of the SC-CBF system. The scope of this study includes the development of a design procedure for SC-CBF systems, a parametric study of different SC-CBF configurations, analytical and experimental studies of a large-scale SC-CBF test structure, and evaluation of the performance of the SC-CBF test structure. A performance-based design procedure and the associated design criteria were developed for SC-CBF systems. Nonlinear dynamic analyses of several 6-story prototype buildings with different SC-CBF configurations were performed to establish the lateral force behavior of the system and to study the influence of several design parameters on this behavior. An analytical model was developed to predict the earthquake response of SC-CBF systems. Hybrid simulations of the earthquake response of a large-scale SC-CBF test structure were performed to validate the analytical model. The seismic performance of the SC-CBF test structure was evaluated with respect to the performance-based design approach and criteria. The results of this study indicate that the SC-CBF system performs very well under earthquake loading, and that the SC-CBF is a viable alternative to conventional CBF systems. The softening of the lateral force-lateral drift response of the system was due exclusively to the column uplift behavior; the beams, columns, and braces of the SC-CBF remained elastic. The performance of the SC-CBF test structure satisfied the performance-based design objectives and criteria. The analytical and experimental results presented in this dissertation show that the performance of the SC-CBF systems can be designed to achieve reliable damage-free performance under the design basis earthquake. The probability of structural damage and residual drift under the design basis earthquake is low. The proposed performance-based design procedure and associated design criteria provide conservative estimates of design demands and provide excellent overall performance. The analytical model developed by this research provides accurate estimates of the earthquake response of SC-CBF systems
The Role of FADS1/2 Polymorphisms on Cardiometabolic Markers and Fatty Acid Profiles in Young Adults Consuming Fish Oil Supplements
Eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) are omega-3 (n-3) fatty acids (FAs) known to influence cardiometabolic markers of health. Evidence suggests that single nucleotide polymorphisms (SNPs) in the fatty acid desaturase 1 and 2 (FADS1/2) gene cluster may influence an individual’s response to n-3 FAs. This study examined the impact of a moderate daily dose of EPA and DHA fish oil supplements on cardiometabolic markers, FA levels in serum and red blood cells (RBC), and whether these endpoints were influenced by SNPs in FADS1/2. Young adults consumed fish oil supplements (1.8 g total EPA/DHA per day) for 12 weeks followed by an 8-week washout period. Serum and RBC FA profiles were analyzed every two weeks by gas chromatography. Two SNPs were genotyped: rs174537 in FADS1 and rs174576 in FADS2. Participants had significantly reduced levels of blood triglycerides (−13%) and glucose (–11%) by week 12; however, these benefits were lost during the washout period. EPA and DHA levels increased significantly in serum (+250% and +51%, respectively) and RBCs (+132% and +18%, respectively) within the first two weeks of supplementation and remained elevated throughout the 12-week period. EPA and DHA levels in RBCs only (not serum) remained significantly elevated (+37% and +24%, respectively) after the washout period. Minor allele carriers for both SNPs experienced greater increases in RBC EPA levels during supplementation; suggesting that genetic variation at this locus can influence an individual’s response to fish oil supplements
The Role of FADS1/2 Polymorphisms on Cardiometabolic Markers and Fatty Acid Profiles in Young Adults Consuming Fish Oil Supplements
Eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) are omega-3 (n-3) fatty acids (FAs) known to influence cardiometabolic markers of health. Evidence suggests that single nucleotide polymorphisms (SNPs) in the fatty acid desaturase 1 and 2 (FADS1/2) gene cluster may influence an individual’s response to n-3 FAs. This study examined the impact of a moderate daily dose of EPA and DHA fish oil supplements on cardiometabolic markers, FA levels in serum and red blood cells (RBC), and whether these endpoints were influenced by SNPs in FADS1/2. Young adults consumed fish oil supplements (1.8 g total EPA/DHA per day) for 12 weeks followed by an 8-week washout period. Serum and RBC FA profiles were analyzed every two weeks by gas chromatography. Two SNPs were genotyped: rs174537 in FADS1 and rs174576 in FADS2. Participants had significantly reduced levels of blood triglycerides (−13%) and glucose (–11%) by week 12; however, these benefits were lost during the washout period. EPA and DHA levels increased significantly in serum (+250% and +51%, respectively) and RBCs (+132% and +18%, respectively) within the first two weeks of supplementation and remained elevated throughout the 12-week period. EPA and DHA levels in RBCs only (not serum) remained significantly elevated (+37% and +24%, respectively) after the washout period. Minor allele carriers for both SNPs experienced greater increases in RBC EPA levels during supplementation; suggesting that genetic variation at this locus can influence an individual’s response to fish oil supplements
- …