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At least 397 records · Page 22

[Using Molecular Simulations to Understand Complex Nanoscale Dynamic Phenomena in Polymer Solutions]

The first half of the project concentrated on molecular simulation studies of the translocation of model molecules for single-stranded DNA through a nanosized pore. This has resulted in the publication, Translocation of a polymer chain across a nanopore: A Brownian dynamics simulation study, by Pu Tian and Grant D. Smith, JOURNAL OF CHEMICAL PHYSICS VOLUME 119, NUMBER 21 1 DECEMBER 2003, which is attached to this report. In this work we carried out Brownian dynamics simulation studies of the translocation of single polymer chains across a nanosized pore under the driving of an applied field (chemical potential gradient) designed to mimic an electrostatic field. The translocation process can be either dominated by the entropic barrier resulted from restricted motion of flexible polymer chains or by applied forces (or chemical gradient). We focused on the latter case in our studies. Calculation of radius of gyration of the translocating chain at the two opposite sides of the wall shows that the polymer chains are not in equilibrium during the translocation process. Despite this fact, our results show that the one-dimensional diffusion and the nucleation model provide an excellent description of the dependence of average translocation time on the chemical potential gradients, the polymer chain length and the solvent viscosity. In good agreement with experimental results and theoretical predictions, the translocation time distribution of our simple model shows strong non-Gaussian characteristics. It is observed that even for this simple tube-like pore geometry, more than one peak of translocation time distribution can be generated for proper pore diameter and applied field strengths. Both repulsive Weeks-Chandler-Anderson and attractive Lennard-Jones polymer-nanopore interaction were studied. Attraction facilitates the translocation process by shortening the total translocation time and dramatically improve the capturing of polymer chain. The width of the translocation time distribution was found to decrease with increasing temperature, increasing field strength, and decreasing pore diameter.

Smith, Grant↗

The Spatial Variation of Polar Rain Electrons and its Cause

It is generally accepted that field aligned electrons in the solar wind can follow field lines connected to Earth and precipitate in the polar ionosphere where they are known as polar rain. Few-hundred eV, field-aligned electrons of the solar wind "strahl" carry the interplanetary heat flux moving out from the sun and these electrons precipitate in either the northern or southern hemisphere depending on the magnetic field direction. These electrons produce enhanced polar rain in one hemisphere or the other although weaker polar rain is usually produced in the opposite hemisphere by whatever electrons are moving in the opposite direction. Although much evidence exists for this simple free entry mechanism, it has also long been known that there are spatial variations in the energies and intensities of the precipitating electrons. The present work compares electron distribution functions measured by the ACE spacecraft in the solar wind with those measured by the DMSP spacecraft at 800 km altitude over the polar cap. It is found that shifting the DMSP distribution functions in energy by amounts ranging from 10's to a few hundred eV produces quite good agreement with simultaneous ACE measurements. Over most of the polar cap this DMSP energy shift must be positive to achieve this agreement, suggesting the electrons have been decelerated by a field aligned potential as they move from the solar wind to low altitudes. The largest shifts occur on the nightside and on the dawn or dusk side, with the latter depending on the plasma convection pattern which is controlled by the orientation of the IMF. Nearer the cusp the shift is smaller or even negative. Since more massive tailward flowing magnetosheath ions are unable io follow the field lines into the magnetotail like the electrons, a field aligned potential is expected to develop to exclude low energy electrons and prevent an excessive charge imbalance. Such a potential would also produce the deceleration of those electrons that reach low altitudes. This improved understanding of polar rain should increase the utility of polar rain measurements as a diagnostic of the magnetosphere magnetic field configuration.

Fairfield, D. H.↗

Impact of non-irrigation on 1G and 2G bioethanol potential of oilcane feedstock: A field to fuel pipeline study

This study evaluates the bioethanol potential in response to irrigation (IR) and non-irrigation (NIR) of oilcane (OC) during a seasonal drought prior harvest. The juice was extracted through mechanical pressing of stems and fermented by Ethanol Red® yeast to produce first-generation bioethanol. Hydrothermal pretreatment followed by enzymatic hydrolysis of bagasse was performed to produce monomeric sugars from structural carbohydrates. The hydrolysates were fermented with engineered yeast for second-generation bioethanol production. The irrigated oilcane juice (276.3 ± 8.9 g/L) constitutes higher sugar concentrations than non-irrigated oilcane juice (236.5 ± 2.2 g/L). The enzymatic hydrolysis of IR-OC and NIR-OC pretreated bagasse yielded similar concentrations of 247.5 ± 2.22 and 249.7 ± 4.98 g/L fermentable sugars. Industry-relevant bioethanol titers of ≥99 g/L and ≥75 g/L were achieved from juice and hydrolysates, respectively. Therefore, the non-irrigation regime did not impact the 1G and 2G bioethanol titers. However, the overall bioethanol yield can be lower due to the reduction of stem yield (8 %) per hectare.

09 BIOMASS FUELS↗

Pyrochlore NaYbO2: A Potential Quantum Spin Liquid Candidate

The search for quantum spin liquids (QSL) and chemical doping in such materials to explore superconductivity have continuously attracted intense interest. Here, we report the discovery of a potential QSL candidate, pyrochlore-lattice β-NaYbO2. Colorless and transparent NaYbO2 single crystals, layered α-NaYbO2 (∼250 μm on edge) and octahedral β-NaYbO2 (∼50 μm on edge), were grown for the first time. Synchrotron X-ray single-crystal diffraction unambiguously determined that the newfound β-NaYbO2 belongs to the three-dimensional pyrochlore structure characterized by the R3̅m space group, corroborated by synchrotron X-ray and neutron powder diffraction and pair distribution function. Magnetic measurements revealed no long-range magnetic order or spin glass behavior down to 0.4 K with a low boundary spin frustration factor of 17.5, suggesting a potential QSL ground state. Under high magnetic fields, the potential QSL state was broken and spins order. Our findings reveal that NaYbO2 is a fertile playground for studying novel quantum states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data for Impact of Non-Irrigation on 1G and 2G Bioethanol Potential of Oilcane Feedstock: A Field to Fuel Pipeline Study

This study evaluates the bioethanol potential in response to irrigation (IR) and non-irrigation (NIR) of oilcane (OC) during a seasonal drought prior harvest. The juice was extracted through mechanical pressing of stems and fermented by Ethanol Red® yeast to produce first-generation bioethanol. Hydrothermal pretreatment followed by enzymatic hydrolysis of bagasse was performed to produce monomeric sugars from structural carbohydrates. The hydrolysates were fermented with engineered yeast for second-generation bioethanol production. The irrigated oilcane juice (276.3 ± 8.9 g/L) constitutes higher sugar concentrations than non-irrigated oilcane juice (236.5 ± 2.2 g/L). The enzymatic hydrolysis of IR-OC and NIR-OC pretreated bagasse yielded similar concentrations of 247.5 ± 2.22 and 249.7 ± 4.98 g/L fermentable sugars. Industry-relevant bioethanol titers of ≥99 g/L and ≥75 g/L were achieved from juice and hydrolysates, respectively. Therefore, the non-irrigation regime did not impact the 1G and 2G bioethanol titers. However, the overall bioethanol yield can be lower due to the reduction of stem yield (8 %) per hectare.

Biomass Analytics↗

The magnetic field structure in the active solar corona.

The structure of the magnetic field of the active solar corona is discussed with reference to optical and radio observations of the solar atmosphere. Eclipse observations provide evidence of fine scale structures in the solar atmosphere that appear to relate to the coronal magnetic field. The coronal magnetic field used for comparison is calculated from potential theory; the influence of solar activity upon the potential theory field is discussed with reference to observations of the Faraday rotation of a microwave signal from Pioneer 6 as it was occulted by the solar atmosphere. Evidence has been found suggesting the existence of expanding magnetic bottles located at 10 solar radii above flaring active regions. The dynamics of these events is discussed. It is further suggested that these magnetic bottles are an important component in the solar corona.

Schatten, K. H.↗

A heavy ion beam probe system for investigation of a modified Penning discharge

An ion beam probe diagnostic system can measure time- and space-resolved profiles of plasma space potential and electron density. In combination with a computer iterative technique, the ion beam probe can determine both the space potential profile in plasmas containing strong electric fields and potentials comparable in magnitude to the energy of the probing ion beam. During ion beam probing of a modified Penning discharge, several groups of secondary ions were observed coming from the plasma with a fixed primary beam energy and momentum. The energies of these ions were within 10 percent of the values predicted by a computer-generated model of the potential profile in the plasma. The mechanical and electronic components of the system are described, with particular emphasis on those features required to probe plasma potentials comparable in magnitude to the ion beam energy.

Kambic, G. X.↗

Study of inverted-V auroral precipitation events

The macroscopic properties of inverted V events measured by the Atmospheric Explorer-D satellite are described, along with the spatial distributions and the extents of individual events. The satellite carried 19 detectors, each comprising a cylindrical electrostatic analyzer followed by an electron multiplier. A total of 430 events was recorded, none of which occurred in cusp precipitation. The observed characteristics of the inverted V events are compared with particle distribution properties predicted by a double layer mechanism, an electrostatic shock model, extended field-aligned potential, and anomalous resistivity. Widespread, continuous electric fields were found parallel to the magnetic field lines, and anomalous resistivity was determined as the most favorable mechanism for producing the electron precipitation structure observed.

Hoffman, R. A.↗

Triacylglycerol, total fatty acid, and biomass accumulation of metabolically engineered energycane grown under field conditions confirms its potential as feedstock for drop‐in fuel production

Abstract Metabolic engineering for hyperaccumulation of lipids in vegetative tissues of high biomass crops promises a step change in oil yields for the production of advanced biofuels. Energycane is the ideal feedstock for this approach due to its exceptional biomass production and persistence under marginal conditions. Here, we evaluated metabolically engineered energycane with constitutive expression of the lipogenic factors WRINKLED 1 ( WRI 1), DIACYLGLYCEROL ACYLTRANSFERASE 1 ( DGAT 1), and OLEOSIN 1 ( OLE 1) for the accumulation of triacylglycerol (TAG), total fatty acid (TFA), and biomass under field conditions at the University of Florida‐IFAS experiment station near Citra, Florida. TAG and TFA accumulation were highest in leaves (up to 9.9% and 12.9% of DW, respectively), followed by juice from crushed stems, stems, and roots. TAG and TFA accumulation increased up to harvest time and correlated highest with OLE 1 and DGAT 1 expression. Biomass dry weight, TAG, and TFA content differed greatly depending on DGAT 1 and OLE 1 expression in transgenic lines with similar WRI 1 expression. Biomass did not significantly differ between WT and line L2 with DAGT 1 and OLE 1 expressed at low levels and TAG and TFA accumulating to 12‐ and 1.6‐fold that of WT leaves, respectively. In contrast, line L13, with intron‐mediated enhancement of DGAT 1 expression, displayed a 245‐ to 330‐fold increase in TAG and a 4.75‐ to 6.45‐fold increase in TFA content compared with WT leaves and a biomass reduction of 52%. These results provide the basis for developing novel feedstocks for expanding plant lipid production and point to new prospects for advanced biofuels.

59 BASIC BIOLOGICAL SCIENCES↗

Mineralogical Characterization of a Potential Mars-Analog Field Site: Gypsum- and Carbonate-Bearing Formations in the Quebradas Back Country, New Mexico, USA

The Quebradas Back Country field site is located approximately six miles east of Socorro, NM, USA and provides access to Pennsylvanian and Permian age sedimentary formations that record environments ranging from lacustrine to hypersaline supratidal mudflats in deposits of carbonate, sulfate, and clay minerals. These deposits demonstrate a critical climate transition from cold and wet to largely arid conditions, which may parallel the drying of ancient Mars. The Quebradas sulfate and carbonate deposits can provide insight into the formation and weathering of Mars-relevant sulfates and elucidate potential causes for the prevalence of calcium sulfate and paucity of calcium carbonate on Mars. Deciphering the environmental cues held within evaporites is particularly timely now with mounting evidence for sulfate-rich fluids in Jezero crater and the Curiosity rover analyzing the sulfate-bearing unit in Gale crater.

S J Ralston↗

Plasma dynamics driven by finite-width current filament and KV potential drops in ionosphere-magnetosphere coupling

We have simulated the plasma dynamics of a quasi-two-dimensional current filament in ionosphere-magnetosphere coupling. The simulation consists of a set of one-dimensional flux tube simulations with different imposed time-dependent, field-aligned currents. The dynamical interactions of the individual current filaments with the ionospheric and magnetospheric plasma generate kV field-aligned potential drops along the field lines, and the side-by-side display exhibits the evolution of the implied potential structure in the horizontal direction. The primary cross-field motion produced by the horizontal E-field (ExB drift) is perpendicular to both of the significant spatial directions, and is thus ignorable in this geometry. The effects of other cross-field drict processes are discussed. The simulation thus provides insight into the dynamical evolution of 2D potential structures driven by an imposed finite-width field-aligned current profile. Spatial and temporal variation of other plasma parameters (temperatures, density, etc.) that are determined primarily by parallel transport effects are also displayed.

Ganguli, Supriya B.↗

Decimetric solar type U bursts - VLA and Phoenix observations

Observations of type U bursts, simultaneously detected by the VLA at 1.446 GHz and by the broadband spectrometer Phoenix in the 1.1-1.7 GHz frequency band on August 13, 1989 are reported. Extrapolations of the coronal magnetic field, assuming a potential configuration, indicate that the VLA 20 cm source demarcates an isodensity level. The source covers a wide angle of diverging magnetic field lines whose footpoints originate close to a magnetic intrusion of negative polarity into the main sunspot group of the active region with dominant positive polarity. The centroid of the 20-cm U-burst emission, which corresponds to the turnover frequency of the type U bursts and remains stationary during all U bursts, coincides with the apex of extrapolated potential field lines at a height of about 130,000 km. It is demonstrated that the combination of radio imaging and broadband dynamic spectra, combined with the magnetic field reconstruction from magnetograms, can constrain all physical parameters of a magnetic loop system.

Aschwanden, Markus J.↗

Assessment of potential impact of magnetic fields from a subsea high-voltage DC power cable on migrating green sturgeon, Acipenser medirostris

Abstract Empirical evidence suggests that marine animals perceive and orient to local distortions in the earth’s natural magnetic field. Magnetic fields (MFs) generated by electrified underwater cables may produce similar local distortions in the earth’s main field. Concern exists that these distortions may impact migration movements of MF-sensitive animals. The Trans Bay Cable (TBC) is a ± 200-kV, 400-megawatt, 85-km high-voltage direct current transmission line buried through San Francisco Bay (37° 56′ 8.81″ N, 122° 27′ 0.19″ W). Detections of adult green sturgeon implanted with acoustic transmitters were used from six cross-bay receiver arrays from 2006 to 2015 to investigate how inbound and outbound migration movements through lower portions of their route to/from upstream breeding grounds are related to the TBC’s energization status (off/on) and other local environmental variables. Here, we assess how these variables impacted transit success, misdirection from the migration route, transit times, and migration path locations within stretches between the Bay’s mouth and the start of the Sacramento River. Overall, there was varied evidence for any effect on migration behavior associated with cable status (off/on). A higher percentage of inbound fish successfully transited after the cable was energized, but this effect was nonsignificant in models including temperature. Outbound fish took longer to transit after cable energization. Inbound and outbound migration path locations were not significantly influenced by cable energization, but results suggest a potential subtle relationship between energization and both inbound and outbound paths. Overall, additional migration-based studies are needed to investigate the impact of anthropogenic cables on marine species.

Wyman, Megan T. (ORCID:0000000256844603)↗

Development of a Systematic and Extensible Force Field for Peptoids (STEPs)

Peptoids (N-substituted glycines) are a class of biomimetic polymers that have attracted significant attention due to their accessible synthesis and enzymatic and thermal stability relative to their naturally occurring counterparts (polypeptides). While these polymers provide the promise of more robust functional materials via hierarchical approaches, they present a new challenge for computational structure prediction for material design. The reliability of calculations hinges on the accuracy of interactions represented in the force field used to model peptoids. For proteins, structure prediction based on sequence and de novo design has made dramatic progress in recent years; however, these models are not readily transferable for peptoids. Current efforts to develop and implement peptoid-specific force fields are spread out, leading to replicated efforts and a fragmented collection of parameterized sidechains. Here, we developed a peptoid-specific force field containing 70 different side chains, using GAFF2 as starting point. The new model is validated based on the generation of Ramachandran-like plots from DFT optimization compared against force field reproduced potential energy and free energy surfaces as well as the reproduction of equilibrium cis/trans values for some residues experimentally known to form helical structures. In conclusion, equilibrium cis/trans distributions (Kct) are estimated for all parameterized residues to identify which residues have an intrinsic propensity for cis or trans states in the monomeric state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Periodic Korteweg–de Vries soliton potentials generate quasisymmetric magnetic field strength in a finite plasma- β equilibrium

Quasisymmetry (QS) is a hidden symmetry of the magnetic field strength, B , that enables effective confinement of charged particles in a fully three-dimensional (3D) toroidal plasma equilibrium. Such equilibria are typically modeled by the ideal magnetohydrostatic (MHS) equations. The nonlinear, overdetermined nature of the QS MHS equations severely complicates our understanding of the interplay between 3D shaping, equilibrium properties such as pressure and rotational transform, and B . Progress has been made through expansions near the magnetic axis; however, a more comprehensive theory is desirable. Using a combination of analysis and regression on a large dataset of numerically optimized quasisymmetric stellarators, we demonstrate that there is a hidden lower dimensionality of B on a magnetic flux surface with connections to the theory of periodic solitons. We show that B on a flux surface is determined by three or at most four flux functions, each of which determines a critical value of the derivative of B along the field line. While being consistent with the near-axis models, our results are global and hold even on the last closed flux surface.

Differential geometry↗

Measurement of the electric potential and the magnetic field in the shifted analysing plane of the KATRIN experiment

The projected sensitivity of the effective electron neutrino-mass measurement with the KATRIN experiment is below 0.3 eV (90 % CL) after 5 years of data acquisition. The sensitivity is affected by the increased rate of the background electrons from KATRIN’s main spectrometer. A special shifted-analysing-plane (SAP) configuration was developed to reduce this background by a factor of two. The complex layout of electromagnetic fields in the SAP configuration requires a robust method of estimating these fields. We present in this paper a dedicated calibration measurement of the fields using conversion electrons of gaseous 83m Kr, which enables the neutrino-mass measurements in the SAP configuration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Interchange instability of the earth's plasmapause

The factors that affect the interchange instability of the earth's plasmapause are investigated using an extension of Richmond's (1973) procedure based on computing individual particle motions. The effects of particle inertia, centrifugal force, and gravity are estimated. A general differential equation is derived for the time variation of the perturbation potential characterizing an electrostatic ripple with no field-aligned potential drop, which can be solved as an eigenvalue problem to find the linear growth rate. Approximate analytic solutions to this equation were obtained from which it was deduced that the interchange instability is caused by the sharp change in plasma pressure at the plasmapause; its growth rate is limited by ionospheric conductivity and, for very short wavelengths, by the inertia of the magnetospheric particles.

Huang, T. S.↗