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Designing Higher Resolution Self-Assembled 3D DNA Crystals via Strand Terminus Modifications
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Antimicrobial Peptide Resistance of Vibrio cholerae Results from an LPS Modification Pathway Related to Nonribosomal Peptide Synthetases
Abstract not provided
Structure-Guided, Single-Point Modifications in the Phosphinic Dipeptide Structure Yield Highly Potent and Selective Inhibitors of Neutral Aminopeptidases
Seven crystal structures of alanyl aminopeptidase from Neisseria meningitides (the etiological agent of meningitis, NmAPN) complexed with organophosphorus compounds were resolved to determine the optimal inhibitor-enzyme interactions. The enantiomeric phosphonic acid analogs of Leu and hPhe, which correspond to the P1 amino acid residues of well-processed substrates, were used to assess the impact of the absolute configuration and the stereospecific hydrogen bond network formed between the aminophosphonate polar head and the active site residues on the binding affinity. For the hPhe analog, an imperfect stereochemical complementarity could be overcome by incorporating an appropriate P1 side chain. The constitution of P1'-extended structures was rationally designed and the lead, phosphinic dipeptide hPhePψ[CH2]Phe, was modified in a single position. Introducing a heteroatom/heteroatom-based fragment to either the P1 or P1' residue required new synthetic pathways. The compounds in the refined structure were low nanomolar and subnanomolar inhibitors of N. meningitides, porcine and human APNs, and the reference leucine aminopeptidase (LAP). The unnatural phosphinic dipeptide analogs exhibited a high affinity for monozinc APNs associated with a reasonable selectivity versus dizinc LAP. Another set of crystal structures containing the NmAPN dipeptide ligand were used to verify and to confirm the predicted binding modes; furthermore, novel contacts, which were promising for inhibitor development, were identified, including a π-π stacking interaction between a pyridine ring and Tyr372.
Halide exchange and surface modification of metal halide perovskite nanocrystals with alkyltrichlorosilanes
Metal halide perovskite nanocrystals have recently emerged as promising materials for light emitting displays and lasing applications due to their narrow emission wavelengths, high photoluminescence quantum yields, and readily adjustable emission wavelengths. For these metal halide perovskite nanocrystals to be useful in commercial applications, their stability must be increased and the photoluminescence quantum yields of the iodide (red emitting) and chloride (blue emitting) containing derivatives must also be increased. The photoluminescence quantum yields of blue emitting CsPbCl 3 nanoparticles lag behind those of green emitting CsPbBr 3 nanoparticles, with maximum photoluminescence quantum yields of 1–10% previously reported for CsPbCl 3 as compared to 80–100% for CsPbBr 3 . Herein, we show that alkyltrichlorosilanes (R-SiCl 3 ) can be used as Cl-sources for rapid anion exchange with host CsPbBr 3 nanocrystals. This anion exchange reaction is advantageous in that it can be performed at room temperature and results in highly dispersible nanoparticles coated with siloxane shells. CsPbCl 3 nanoparticles produced through Cl-exchange with R-SiCl 3 show significantly improved long-term stability and high photoluminescence quantum yields of up to 12%. Finally, these siloxane coated nanocrystals are even stable in the presence of water, whereas CsPbCl 3 nanoparticles synthesized through other routes rapidly degrade in the presence of water.
Landau resonant modification of multiple kink mode contributions to 3D tokamak equilibria
Detailed measurements of the plasma's response to applied magnetic perturbations provide experimental evidence that the form of three-dimensional (3D) tokamak equilibria, with toroidal mode number n = 1, is determined by multiple stable kink modes at high-pressure. For pressures greater than the ideal magnetohydrodynamic (MHD) stability limit, as calculated without a stabilizing wall, the 3D structure transitions in a way that is qualitatively predicted by an extended MHD model that includes kinetic wave-particle interactions. These changes in poloidal mode structure are correlated with the proximity of rotation profiles to thermal ion bounce and the precession drift frequencies suggesting that these kinetic resonances are modifying the relative amplitudes of the stable modes. These results imply that each kink may eventually be independently controlled.
Stand development and other intrinsic factors largely control fine-root dynamics with only subtle modifications from resource availability
Forest productivity depends on resource acquisition by ephemeral roots and leaves. A combination of intrinsic and environmental factors influences ephemeral organs; however, difficulties in studying belowground organs impede mechanistic understanding of fine-root production and turnover. To quantify factors controlling fine-root dynamics, we grew a deciduous hardwood (Populus deltoides Bartr.) and an evergreen conifer (Pinus taeda L.) with distinct soil moisture and nutrient availability treatments. We monitored fine-root dynamics with minirhizotrons for 6 years during early stand development and expressed results on a root length, biomass and mortality-risk basis. Stand development and other intrinsic factors consistently influenced both species in the same direction and by similar magnitude. Live-root length increased to a peak during establishment and slowly declined after roots of neighboring trees overlapped. Root longevity was highest during establishment and decreased thereafter. Root longevity consistently increased with depth of appearance and initial root diameter. Season of appearance affected root longevity in the following order: spring > summer > fall > winter. The influence of soil resource availability on fine-root dynamics was inconsistent between species, and ranked below that of rooting depth, initial diameter, stand development and phenology. Fine-root biomass either increased or was unaffected by greater resource availability. Fine-root production and live root length decreased with irrigation for both species, and increased with fertilization only for poplar. Fine-root mortality risk both increased and decreased depending on species and amendment treatment. Differing responses to soil moisture and nutrient availability between species suggests we should carefully evaluate generalizations about the response of fine-root dynamics to resource availability. Finally, while attempting to describe and explain carbon allocation to fine-root production and turnover, modelers and physiologists should first consider consistent patterns of allocation caused by different depth, diameter, stand development, phenology and species before considering allocation due to soil resource availability.
Location Modification Factors for Potential Dose Estimation
A Department of Energy facility must comply with the National Emission Standard for Hazardous Air Pollutants for radioactive air emissions. The standard is an effective dose of less than 0.1 mSv yr-1 to the maximum public receptor. Additionally, a lower dose level may be assigned to a specific emission point in a State issued permit. A method to efficiently estimate the expected dose for future emissions is described. This method is most appropriately applied to a research facility with several emission points with generally low emission levels of numerous isotopes.
Modification of structural disorder by hydrostatic pressure in the superconducting cuprate YBa 2 Cu 3 O 6.73
Here, compelling efforts to improve the critical temperature (T c ) of superconductors have been made through high-pressure application. Understanding the underlying mechanism behind such improvements is critically important; however, much remains unclear. Here we studied ortho-III YBa 2 Cu 3 O 6.73 (YBCO) using x-ray scattering under hydrostatic pressure (HP) up to ~6.0GPa. We found the reinforced oxygen order of YBCO under HP, revealing an oxygen rearrangement in the Cu-O layer, which evidently shows the charge-transfer phenomenon between the CuO 2 plane and Cu-O layer. Concurrently, we also observed no disorder-pinned charge-density-wave signature in CuO 2 plane under HP. This indicates that the oxygen rearrangement modifies the quenched disorder state in the CuO 2 plane. Using these results, we appropriately explain why pressure condition can achieve higher T c compared with the optimal T c under ambient pressure in YBa 2 Cu 3 O 6+x . As an implication of these results, finally we have discussed that the change in disorder could make it easier for YBa 2 Cu 3 O 6+x to undergo a transition to the nematic order under an external magnetic field.
Observation of D 0 meson nuclear modifications in Au + Au collisions at s NN = 200 GeV
We report the first measurement of charmed-hadron (D 0 ) production via the hadronic decay channel (D 0 → K - + π + ) in Au + Au collisions at √ s NN = 200 GeV with the STAR experiment. The charm production cross section per nucleon-nucleon collision at midrapidity scales with the number of binary collisions, N bin , from p + p to central Au + Au collisions. The D 0 meson yields in central Au + Au collisions are strongly suppressed compared to those in p + p scaled by N bin , for transverse momenta p T > 3 GeV/c, demonstrating significant energy loss of charm quarks in the hot and dense medium. Here, an enhancement at intermediate p T is also observed. Model calculations including strong charm-medium interactions and coalescence hadronization describe our measurements.
Comparison of ZnO surface modification with gas-phase propiolic acid at high and medium vacuum conditions
Not provided.
Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B
Toxin B (TcdB) is a primary cause of Clostridioides difficile infection (CDI). This toxin acts by glucosylating small GTPases in the Rho/Ras families, but the structural basis for TcdB recognition and selectivity of specific GTPase substrates remain unsolved. Here, we report the cocrystal structures of the glucosyltransferase domain (GTD) of two distinct TcdB variants in complex with human Cdc42 and R-Ras, respectively. These structures reveal a common structural mechanism by which TcdB recognizes Rho and R-Ras. Furthermore, we find selective clustering of adaptive residue changes in GTDs that determine their substrate preferences, which helps partition all known TcdB variants into two groups that display distinct specificities toward Rho or R-Ras. Mutations that selectively disrupt GTPases binding reduce the glucosyltransferase activity of the GTD and the toxicity of TcdB holotoxin. These findings establish the structural basis for TcdB recognition of small GTPases and reveal strategies for therapeutic interventions for CDI.
Southern Company Services: Project 2: Tall Tower Wind Technical Potential for the Southeast (Modifications 4, 5), Project 4: Offshore Wind Potential for Southern Company Services (Modifications 7, 8)
Project 2: The National Laboratory of the Rockies (NLR) and Southern Company Services (SCS) seek to establish an agreement to assess the technical potential for wind energy in the Southeastern U.S. SCS has requested that NLR conduct a detailed assessment of system performance, available capacity, transmission distance, and levelized cost of electricity (LCOE) at turbine hub heights of 100m to 160m within the SCS service territory. NLR will also provide an assessment of utility photovoltaic (PV) technical potential within the SCS service territory. NLR has unique modeling capabilities to assist SCS with high spatial and temporal resolution assessment of wind and PV technical potential, considering geospatial constraints. Project 4: NLR and SCS seek to develop a spatially explicit techno-economic assessment for offshore wind energy in the Southeastern U.S. The analysis aims to characterize the regional sensitivities of offshore wind plant costs and performance, underwater cabling, potential siting constraints, and landfall spur transmission costs.
Modifications to the streamtube curvature program. Volume 1: Program modifications and user's manual
The improvements which have been incorporated in the Streamtube Curvature Program to enhance both its computational and diagnostic capabilities are described. Detailed descriptions are given of the revisions incorporated to more reliably handle the jet stream-external flow interaction at trailing edges. Also presented are the augmented boundary layer procedures and a variety of other program changes relating to program diagnostics and extended solution capabilities. An updated User's Manual, that includes information on the computer program operation, usage, and logical structure, is presented. User documentation includes an outline of the general logical flow of the program and detailed instructions for program usage and operation. From the standpoint of the programmer, the overlay structure is described. The input data, output formats, and diagnostic printouts are covered in detail and illustrated with three typical test cases.
Influence of linear profile modification and loading conditions on the dynamic tooth load and stress of high contact ratio gears
A computer simulation for the dynamic response of high-contact-ratio spur gear transmissions is presented. High contact ratio gears have the potential to produce lower dynamic tooth loads and minimum root stress but they can be sensitive to tooth profile errors. The analysis presented examines various profile modifications under realistic loading conditions. The effect of these modifications on the dynamic load (force) between mating gear teeth and the dynamic root stress is presented. Since the contact stress is dependent on the dynamic load, minimizing dynamic loads will also minimize contact stresses. It is shown that the combination of profile modification and the applied load (torque) carried by a gear system has a significant influence on gear dynamics. The ideal modification at one value of applied load will not be the best solution for a different load. High-contact-ratio gears were found to require less modification than standard low-contact-ratio gears. High-contact-ratio gears are more adversely affected by excess modification than by under modification. In addition, the optimal profile modification required to minimize the dynamic load (hence the contact stress) on a gear tooth differs from the optimal modification required to minimize the dynamic root (bending) stress. Computer simulation can help find the design tradeoffs to determine the best profile modification to satisfy the conflicting constraints of minimizing both the load and root stress in gears which must operate over a range of applied loads.
The Effect of Moment of Area Rule Modifications on the Drag, Lift and Pitching Moment Characteristics of an Unswept Aspect Ratio 6 Wing and Body Combination
An experimental investigation was conducted to determine the effect of moment-of-area-rule modifications on the drag, lift, and pitching-moment characteristics of a wing-body combination with a relatively high aspect-ratio unswept wing. The basic configuration consisted of an aspect-ratio-6 wing with a sharp leading edge and a thickness ratio of 0.06 mounted on a cut-off Sears-Haack body. The model with full moment-of-area-rule modifications had four contoured pods mounted on the wing and indentations in the body to improve the longitudinal distributions of area and moments of area. Also investigated were modifications employing pods and indentations that were only half the size of the full modifications and modifications with partial body indentations. The models were tested at angles of attack from -2 deg to +12 deg at Mach numbers from 0.6 to 1.4. In general, the moment-of-area-rule modifications had a large effect on the drag characteristics of the models but only a small effect on their lift and pitching-moment characteristics. The modifications provided substantial reductions in the zero-lift drag at transonic and low supersonic speeds, but at subsonic speeds the drag was increased. Near Mach number 1.0, the model with full modification provided the greatest reduction in drag, but at the highest test Mach numbers the half modification gave the largest drag reduction. In general, the percent reductions of zero- lift drag obtained with the aspect-ratio-6 wing were as great or greater than those previously obtained with aspect-ratio-3 wings. The effect of the modifications on the drag due to lift was small except at Mach num- bers below 0.9 where the modified models had higher drag-rise factors. Above Mach number 0.9, the modified models had higher lift-drag ratios than the basic model. The modified models also had higher lift curve slopes and generally were slightly more stable than the basic configuration.