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A system and method for storing information in a quantum computer using a quantum storage ring. The method comprises cooling ions in the quantum storage ring to a low temperature; and binding the ions into a lattice structure, forming an ion Coulomb crystal.
A system and method for storing information in a quantum computer using a quantum storage ring. The method comprises cooling ions in the quantum storage ring to a low temperature; and binding the ions into a lattice structure, forming an ion Coulomb crystal.
Although polyamides have been an industrial staple for decades, their solubility and processability remain limited due to the strong hydrogen bonding between amide groups. Here, we report a family of polyamides in which aryl rings, alkyl spacers, sulfonate groups, and amide linkages are regularly spaced along the polymer backbone, allowing us to probe the structural elements that affect processability. We accessed these polymers through a synthetic route based on an expanded diamine monomer and characterized them through a range of physical and spectroscopic techniques. Our results show that the combination of sulfonate groups with increased amide content results in highly soluble polymers, which can dissolve in polar solvents such as water, methanol, and N,N-dimethylformamide. Infrared spectroscopy on the solid polymers shows that the aliphatic amides engage in hydrogen bonding with the sulfonate groups, thus inhibiting ion aggregation, crystallization, and microphase separation. These findings expand the avenue to sulfonate-containing polyamide chemistry and provide design rules for the synthesis of more processable ionic polyamides.
The growth of perturbations subject to the Crow instability along two vortex rings of equal and opposite circulation undergoing a head-on collision is examined. Unlike the planar case for semi-infinite line vortices, the zero-order geometry of the flow (i.e. the ring radius, core thickness and separation distance) and by extension the growth rates of perturbations vary in time. The governing equations are therefore temporally integrated to characterize the perturbation spectrum. The analysis, which considers the effects of ring curvature and the distribution of vorticity within the vortex cores, explains several key flow features observed in experiments. First, the zero-order motion of the rings is accurately reproduced. Next, the predicted emergent wavenumber, which sets the number of secondary vortex structures emerging after the cores come into contact, agrees with experiments, including the observed increase in the number of secondary structures with increasing Reynolds number. Finally, the analysis predicts an abrupt transition at a critical Reynolds number to a regime dominated by a higher-frequency, faster-growing instability mode that may be consistent with the experimentally observed rapid generation of a turbulent puff following the collision of rings at high Reynolds numbers.
The discovery of a large putative impact crater buried beneath Hiawatha Glacier along the margin of the northwestern Greenland Ice Sheet has reinvigorated interest into the nature of large impacts into thick ice masses. This circular structure is relatively shallow and exhibits a small central uplift, whereas a peak-ring morphology is expected. This discrepancy may be due to long-term and ongoing subglacial erosion but may also be explained by a relatively recent impact through the Greenland Ice Sheet, which is expected to alter the final crater morphology. Here we model crater formation using hydrocode simulations, varying pre-impact ice thickness and impactor composition over crystalline target rock. We find that an ice-sheet thickness of 1.5 or 2 km results in a crater morphology that is consistent with the present morphology of this structure. Further, an ice sheet that thick substantially inhibits ejection of rocky material, which might explain the absence of rocky ejecta in most existing Greenland deep ice cores if the impact occurred during the late Pleistocene. From the present morphology of the putative Hiawatha impact crater alone, we cannot distinguish between an older crater formed by a pre-Pleistocene impact into ice-free bedrock or a younger, Pleistocene impact into locally thick ice, but based on our modeling we conclude that latter scenario is possible.
Chaperonins are homo- or hetero-oligomeric complexes that use ATP binding and hydrolysis to facilitate protein folding. ATP hydrolysis exhibits both positive and negative cooperativity. The mechanism by which chaperonins coordinate ATP utilization in their multiple subunits remains unclear. Here we use cryoEM to study ATP binding in the homo-oligomeric archaeal chaperonin from Methanococcus maripaludis (MmCpn), consisting of two stacked rings composed of eight identical subunits each. Using a series of image classification steps, we obtained different structural snapshots of individual chaperonins undergoing the nucleotide binding process. We identified nucleotide-bound and free states of individual subunits in each chaperonin, allowing us to determine the ATP occupancy state of each MmCpn particle. We observe distinctive tertiary and quaternary structures reflecting variations in nucleotide occupancy and subunit conformations in each chaperonin complex. Detailed analysis of the nucleotide distribution in each MmCpn complex indicates that individual ATP binding events occur in a statistically random manner for MmCpn, both within and across the rings. Our findings illustrate the power of cryoEM to characterize a biochemical property of multi-subunit ligand binding cooperativity at the individual particle level.
Passive NO x adsorbers (PNA) using Pd/zeolites have emerged as a promising solution for the reduction of cold-start emissions from vehicle exhaust. However, the nature of the active sites and the mechanisms underlying NO x adsorption in Pd/zeolites remain a subject of ongoing investigation. In this study, we employ quantum chemical simulations to investigate the structure of Pd species in cation-exchange sites at isolated Al and Al pairs in the 6-ring and 8-ring of the CHA framework before the introduction of NO x . Our calculations show that the speciation of Pd in these exchange sites strongly depends on the precise Al arrangement within the framework, as well as the operating conditions. Ionically dispersed Pd is found to be the most favorable species over a wide range of oxidizing and reducing conditions. Small oligomers of PdO and metallic Pd do not appear to be competitive at either isolated Al or Al pairs. Notably, our calculations show that ion exchange sites other than next–next–nearest neighbor Al pairs in the 6-ring will be preferentially occupied by Pd + instead of Pd 2+ . The stability of Pd + in the zeolite environment is an interesting contrast with its rareness in molecular Pd compounds. Nonetheless, a detailed analysis of the electronic structure shows that predicted Pd oxidation states are consistent with chemical intuition for all complexes investigated in this study. We also discuss the potential ambiguity in Pd characterization provided by typical experimental techniques such as XANES, EXAFS and UV-Vis, and highlight the need for additional EPR spectroscopy studies to further elucidate the initial Pd speciation in zeolites for PNA applications.
A device for connecting, rotating and locking together a pair of structural half columns is described. The device is composed of an identical pair of cylindrical hub assemblies connected at their inner faces by a spring loaded hinge; each hub assembly having a structural half column attached to its outer end. Each hub assembly has a spring loading locking ring member movably attached adjacent to its inner face and includes a latch member for holding the locking ring in a rotated position subject to the force of its spring. Each hub assembly also has a hammer member for releasing the latch on the opposing hub assembly when the hub assemblies are rotated together. The spring loaded hinge connecting the hub assemblies rotates the hub assemblies and attached structural half columns together bringing the inner faces of the opposing hub assemblies into contact with one another.
Our study of the Infrared Astronomy Satellite (IRAS) properties of ringed galaxies has been largely successful. We have identified what we think is the probable cause of the differences in the IRAS properties among non-interacting barred galaxies as the pattern speed of the bar. The key to identifying this parameter has been our focusing the study on outer-ringed galaxies where we know precisely what is present in the central regions (from available BVI CCD images in our library of images). The theory is that outer rings, through their morphology and other characteristics, can be identified with the outer Lindblad resonance, one of the major resonances in galaxy structure. Using a library of n-body simulations for comparison, we can reliably infer both low and high pattern speed galaxies from the appearance of outer rings and the existence of other ring features. It is clear that in some barred galaxies, the bar pattern speed is high enough to avoid an inner Lindblad resonance, hence such objects do not contain nuclear or circumnuclear star formation. The IRAS observations are most sensitive to nuclear star formation in early-type barred galaxies, and will thus select those barred galaxies where the pattern speed is low enough to allow an inner Lindblad resonance to exist. High pattern speed barred galaxies therefore weaken the correlation between bars and infrared excess. This finding helps to reconcile the inconsistent results found between different studies on the correlation between bars and far-IR emission.
Two new heteroleptic chelated-benzoato gallium (III) and indium (III) complexes have been prepared and structurally characterized. The molecular structures of [GaCl2(4-Mepy)2(O2CPh)]4-Mepy (1) and [InCl(4-Mepy)2(O2CPh)2]4-Mepy (2) have been determined by single-crystal x-ray diffraction. The gallium compound (1) is a distorted octahedron with cis-chloride ligands co-planar with the chelating benzoate and the 4-methylpyridines trans to each other. This is the first example of a Ga(III) structure with a chelating benzoate. The indium compound (2) is a distorted pentagonal bipyramid with two chelating benzoates, one 4-methylpyridine in the plane and a chloride trans to the other 4-methylpyridine. The indium bis-benzoate is an unusual example of a seven-coordinate structure with classical ligands. Both complexes, which due to the chelates, could also be described as pseudo-trigonal bipyramidal, include a three-bladed motif with three roughly parallel aromatic rings that along with a solvent of crystallization and electron-withdrawing chloride ligand(s) stabilize the solid-state structures.
Zeolite-supported Ag 0 clusters have broad applications from catalysis to medicine, necessitating a mechanistic understanding of the formation of Ag 0 clusters in situ. Density functional theory (DFT) simulations have been performed on silver, water, and silver–water clusters in silica mordenite (Si-MOR), to identify the role of the confinement on the structure and energetics of Ag 0 cluster formation. The most favorable binding energy in the 12-membered ring (MR) pore of the Si-MOR is a 10–15-atom Ag 0 cluster. Computational pair distribution function (PDF) data indicates that the Ag 0 and Ag 0 –H 2 O clusters formed in vacuum versus in Si-MOR exhibit structural differences. Additionally, when the Ag 0 cluster is confined, the density decreases and the surface area increases, hypothesized to be due to the limiting geometry of the 12-MR main channel. An energetic drive toward formation of larger Ag 0 clusters was also identified, with hydrated silver atoms generating higher energy structures. In conclusion, this work identifies mechanistic and structural insight into the role of nanoconfinement on formation of Ag 0 clusters in mordenite.
Experimental data are presented on the sticking force of water ice particles which are indicative of the role that the cohesive properties of such particles could play in the dynamics of Saturn ring particles. Sticking forces are dependent on particle impact velocities; a 'Velcro' model is devised to describe the surface structure involved in sticking. The data indicate that below the critical impact velocity of about 0.03 cm/sec, particle cohesion always occurs. Due to the optical depth of micron-sized grains in the Saturn rings, particles are hypothesized to be coated with a layer of frost which will render cohesion an important ring-dynamics process.
Cyclic dipeptides with two intramolecular peptide bonds forming a six-membered 2,5-diketopiperazine ring are gaining significant attention due to their biological and chemical properties. Small changes in the local geometry of such molecules (from cis to trans) can lead to significant structural differences. This work presents the results of a study of cyclo(l-Cys-d-Cys), a dipeptide comprising two cysteine molecules in opposite chiral configurations, with the functional groups situated at both sides of the diketopiperazine ring. X-ray diffraction (XRD) experiment revealed that the molecule crystallises in the $P$-1 space group, which includes the centre of inversion. The IR and Raman vibrational spectra of the molecule were acquired and interpreted in terms of the potential energy distribution (PED) according to the results of density functional theory (DFT) calculations. The DFT-assisted analysis of energy frameworks for the hydrogen bond network within molecular crystals was performed to support the interpretation of X-ray structural data. The optimisation of the computational model based on three-molecule geometry sections from the crystallographic structure, selected to appropriately reflect the intermolecular interactions responsible for the formation of 1D molecular tapes in cyclo(l-Cys-d-Cys) crystal, allowed for better correspondence between theoretical and experimental vibrational spectra. This work can be considered the first complete structural characterisation of cyclo(l-Cys-d-Cys), complemented via vibrational spectroscopy results with full band assignment aided with the use of the DFT method.
A design-oriented analysis capability for aircraft fuselage structures that utilizes equivalent plate methodology is described. This new capability is implemented as an addition to the existing wing analysis procedure in the Equivalent Laminated Plate Solution (ELAPS) computer code. The wing and fuselage analyses are combined to model entire airframes. The paper focuses on the fuselage model definition, the associated analytical formulation and the approach used to couple the wing and fuselage analyses. The modeling approach used to minimize the amount of preparation of input data by the user and to facilitate the making of design changes is described. The fuselage analysis is based on ring and shell equations but the procedure is formulated to be analogous to that used for plates in order to take advantage of the existing code in ELAPS. Connector springs are used to couple the wing and fuselage models. Typical fuselage analysis results are presented for two analytical models. Results for a ring-stiffened cylinder model are compared with results from conventional finite-element analyses to assess the accuracy of this new analysis capability. The connection of plate and ring segments is demonstrated using a second model that is representative of the wing structure for a channel-wing aircraft configuration.
The PSI 3 -IsiA 18 supercomplex is one of the largest and most complicated assemblies in photosynthesis. The IsiA ring, composed of 18 IsiA monomers (IsiA 18 ) surrounding the PSI trimer (PSI 3 ), forms under iron-deficient condition in cyanobacteria and acts as a peripheral antenna. Based on the supercomplex structure recently determined via cryo-EM imaging, we model various optical spectra of the IsiA monomers and IsiA 18 ring. Comparison of the absorption and emission spectra of the isolated IsiA monomers and the full ring reveals that about 2.7 chlorophylls (Chls) are lost in the isolated IsiA monomers. The best fits for isolated monomers spectra are obtained assuming the absence of Chl 508, Chl 517 and 70% loss of Chl 511. The best model describing all three hexamers and the entire ring suggests that the lowest energy pigments are Chls 511, 514 and 517. Based on the modeling results presented in this work we conclude that there are most likely three entry points for EET from the IsiA6 hexamer to the PSI core monomer, with two of these entry points likely being located next to each other (i.e. nine entry points from IsiA 18 to the PSI 3 trimer). Lastly, we show that excitation energy transfer inside individual monomers is fast (< 2 ps at T = 5 K) and at least 20 times faster than inter-monomer energy transfer.
The Manson crater, of probable Cretaceous/Tertiary age, is located in northwestern Iowa (center at 42 deg. 34.44 min N; 94 deg. 33.60 min W). A seismic reflection profile along an east west line across the crater and drill hole data indicate a crater about 35 km in diameter having the classic form for an impact crater, an uplifted central peak composed of uplifted Proterozoic crystalline bedrock, surrounded by a 'moat' filled with impact produced breccia and a ring graben zone composed of tilted fault blocks of the Proterozoic and Paleozoic country rocks. The structure has been significantly eroded. This geologic structure would be expected to produce a significant gravity signature and study of that signature would shed additional light on the details of the crater structure. A gravity study was undertaken to better resolve the crustal structure. The regional Bouguer gravity field is characterized by a southeastward decreasing field. To first order, the Bouguer gravity field can be understood in the context of the geology of the Precambrian basement. The high gravity at the southeast corner is associated with the mid-continent gravity high; the adjacent low to the northwest results from a basin containing low-density clastic sediments shed from the basement high. Modeling of a simple basin and adjacent high predicts much of the observed Bouguer gravity signature. A gravity signature due to structure associated with the Manson impact is not apparent in the Bouguer data. To resolve the gravity signature of the impact, a series of polynomial surfaces were fit to the Bouguer gravity field to isolate the small wavelength residual anomalies. The residual gravity obtained after subtracting a 5th- or 6th-order polynomial seems to remove most of the regional effects and isolate local anomalies. The pattern resolved in the residual gravity is one of a gravity high surrounded by gravity lows and in turn surrounded by isolated gravity highs. The central portion of the crater is characterized by two positive anomalies having amplitudes of about plus 4 mGal separated by a gentle saddle located approximately at the crater center.
Despite their simplicity, tetrahedra can assemble into diverse high- and low-density structures. Here we report a low-density ‘octo-diamond’ structure formed by nanoscale solid tetrahedra with a 64-tetrahedron unit cell containing 8 cubic-diamond subcells. The formed crystal is achiral, but is composed of chiral bilayers with alternating handedness. The left- and right-handed chirality of the bilayers, combined with the plasmonic nature of the gold tetrahedra, produces chiroptical responses at the crystal surface. We uncover that the hydrophobic substrate facilitates the arrangement of tetrahedra into irregular ring-like patterns, creating a critical, uneven topography to stabilize the observed octo-diamond structure. This study reveals a potent way to affect colloidal crystallization through particle–substrate interactions, expanding the nanoparticle self-assembly toolbox.
We reduced and analyzed radio images of Saturn taken in 1990-1995 at 0.35, 2.0, 3.6 and 6.1 cm wavelength. The latitudinal brightness distribution varies substantially over time. Detailed modeling of these data shows that NH4SH condenses at the thermochemical equilibrium temperature of 235.5 K only at Northern mid-latitudes. Over most of the planet, condensation does not occur until the gas cools to 190 +/- 5 K. Supersaturation may also cause the dark equatorial region seen in 1995 at 6.1 cm. Observations of the rings show that the West (dusk) ansa is brighter than the East (dawn) ansa by factors up to 2. The magnitude of the asymmetry increases with increasing wavelength and with decreasing distance to the planet. This East-West asymmetry may be due to multiple scattering in gravitational wakes. We improved the Monte Carlo scattering code used to model the microwave emission from Saturn's rings at multiple wavelengths. The basic code outlined in Dunn, Molnar, and Fix describes the rings as a uniform, infinite layer of ice spheres with a finite vertical extent. The particle sizes follow a power law distribution and scatter light according to a linear combination of Mie and isotropic phase functions. These parameters may be adjusted to reflect the physical properties in the scattering properties of the ring particles. This is used to construct a model which can be directly compared to Very Large Array data. The code has been extended by including anisotropic particle distributions, primarily in the form of the wake structures that are likely to exist in the enhancements. The vertical extent of the wakes equals that of the ring layer. Between the wakes are regions of diminished density so that the optical depth integrated over many wakes matches that of the Voyager occultation experiments. This allows us to model the brightness temperature as a function of azimuth and look for asymmetric scattering behavior in the rings. By changing the width and relative density of the wakes, we can alter the nature of the gross scattering properties of the rings to match what is seen in our data.