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At least 1,189 records · Page 66

Ensemble-Based Characterization of Historical Storm Types in ERA5 over CONUS

We present Storm-Type Labeled Precipitation, a gridded dataset that classifies ERA5 precipitation over CONUS (20–50° N, 125–66° W) by storm type at 6-hourly resolution. Each grid cell/time step is assigned to one of five classes—mesoscale convective system (MCS), extratropical cyclone (ETC), hurricane (HUR), atmospheric river (AR), or other convective, with an “unidentified” code reserved for cases with no detected type. Two products are provided: (i) a TempestExtremes (TE)–only version, and (ii) a hybrid TRACK–TE version that uses TRACK for ETCs and HURs and TE for MCSs and ARs. Outputs are integer masks aligned to ERA5 precipitation, supporting storm-type attribution of rainfall, event compositing, trend analysis, and model evaluation. Future work will extend detection to high-resolution downscaled Earth system model projections to support evaluations of projected changes in hydrologic hazards that may threaten critical water and energy infrastructures.

Rastogi, Deeksha [ORNL] (ORCID:0000000204624027)↗

Space Shuttle food galley design concept

A food galley has been designed for the crew compartment of the NASA Space Shuttle Orbiter. The rationale for the definition of this design was based upon assignment of priorities to each functional element of the total food system. Principle priority categories were assigned in the following order: food quality, nutrition, food packaging, menu acceptance, meal preparation efficiency, total system weight, total system volume, and total power requirements. Hence, the galley was designed using an 'inside-out' approach which first considered the food and related biological functions and subsequently proceeded 'outward' from the food to encompass supporting hardware. The resulting galley is an optimal design incorporating appropriate priorities for trade-offs between biological and engineering constraints. This design approach is offered as a model for the design of life support systems.

Heidelbaugh, N. D.↗

Where and How Well Do Cabin Crew Sleep During Long-Haul Flights?

INTRODUCTION: Sleep loss and circadian disruption pose a significant risk in aviation. Many studies have shown that inflight rest locations influence alertness and performance among pilots, but few studies have evaluated cabin crew. The aim of this research was to assess sleep outcomes among cabin crewmembers sleeping in a bunk during both outbound and inbound compared to alternating sleep in a bunk or a jump seat during one long-haul route. METHODS: Twenty-nine (5 male) cabin crewmembers (Mage = 30.61, SD = 2.91) flew the same long-haul route (outbound and inbound) with a flight duration of 10:41 (± 0:14) hours. Participants were randomly assigned to fly on an aircraft with a bunk in both directions or to fly an aircraft with a bunk in one direction and with a high comfort jump seat (HCJS) in the other direction for their sleep opportunity. They wore an Actiwatch throughout the entire study and completed a sleep diary at bedtime and upon waking for each sleep opportunity. Seventy-seven percent of the flights had a bunk and 23% had a HCJS. A series of mixed-effects models were performed to assess the differences in several sleep parameters when crewmembers slept in the bunk during both directions of the flight (bunk-only) compared to sleep obtained in the HCJS during one direction and bunk in the other (bunk+HCJS). RESULTS: Fifty-seven flights were included in the analyses. There were significant differences between sleep time (b = 22.56, SE = 9.07, p = .02, Hedges’ g = -0.65) and sleep efficiency (b = 16.75, SE = 4.49, p = .001, Hedges’ g = -1.07) obtained in bunk-only vs. bunk+HCJS. Crewmembers obtained more sleep and had better sleep efficiency when they slept only in the bunk compared to bunk+HCJS. DISCUSSION: Our results showed that cabin crewmembers slept longer and had better sleep efficiency when they used the bunk. Further research is needed to understand how subjective sleepiness and subsequent performance are influenced by sleep opportunity in a bunk-only compared to bunk+HCJS.

long-haul↗

ATR-SEIRAS Reveals Potential Inversion and Associated Electron Transfer Kinetics in the Reduction of Surface-Confined Anthraquinone

The detection of stable semiquinone radicals on an anthraquinone (AQ) layer chemically grafted to an electrode surface in aqueous electrolytes has been elucidated by using attenuated total reflection surface enhanced infrared absorption spectroscopy (ATR-SEIRAS). In very alkaline conditions (pH 13), the reduction of the AQ involves no proton transfer, but surface sensitive infrared spectroscopy reveals that the anthraquinone dianion forms a strong hydrogen bonding network with coadsorbed water, leading to irreversible features in the voltammetry. The potential dependence of the IR band assigned to the AQ radical is consistent with the enhanced hydrogen bonding network causing increased stabilization of the quinone radical and supports the predicted response of a system under mild potential inversion, whereby the formal potential for the reduction of the anthraquinone radical is positive of the reduction potential of the neutral AQ molecule. Time-resolved ATR-SEIRAS is used to measure the transient formation of the AQ •– radical, from which rate constant information can be extracted using the Butler–Volmer model involving two one-electron transfers without a direct disproportionation reaction. The potential dependence of the rate constants is consistent with the potential inversion and can be used to qualitatively simulate the measured cyclic voltammograms. In conclusion, the thermodynamic and kinetic analyses re-emphasize long established deficiencies associated with using one-electron reaction formalisms to characterize multi-electron systems.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

Valence shell photoelectron angular distributions and vibrationally resolved spectra of imidazole: A combined experimental–theoretical study

Linearly polarized synchrotron radiation has been used to record polarization dependent valence shell photoelectron spectra of imidazole in the photon energy range 21–100 eV. These have allowed the photoelectron angular distributions, as characterized by the anisotropy parameter β, and the electronic state intensity branching ratios to be determined. Complementing these experimental data, theoretical photoionization partial cross sections and β-parameters have been calculated for the outer valence shell orbitals. The assignment of the structure appearing in the experimental photoelectron spectra has been guided by vertical ionization energies and spectral intensities calculated by various theoretical methods that incorporate electron correlation and orbital relaxation. Strong orbital relaxation effects have been found for the 15a', nitrogen lone-pair orbital. The calculations also predict that configuration mixing leads to the formation of several low-lying satellite states. The vibrational structure associated with ionization out of a particular orbital has been simulated within the Franck–Condon model using harmonic vibrational modes. The adiabatic approximation appears to be valid for the X 2A" state, with the β-parameter for this state being independent of the level of vibrational excitation. However, for all the other outer valence ionic states, a disparity occurs between the observed and the simulated vibrational structure, and the measured β-parameters are at variance with the behavior expected at the level of the Franck–Condon approximation. Furthermore, these inconsistencies suggest that the excited electronic states may be interacting vibronically such that the nuclear dynamics occur over coupled potential energy surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ontologies at Work: Analyzing Information Requirements for Model Predictive Control in Buildings

Model Predictive Control (MPC) has shown significant potential for improving energy efficiency, indoor air quality and occupant comfort of buildings. MPC-based control algorithms have also shown the ability to shift loads and optimize for multiple objectives, including but not limited to reducing the green-house gas emissions, energy costs and peak demand. However, one of the main implementation challenges of these control algorithms is the integration and configuration effort needed to deploy a supervisory MPC controller in a building. By assigning standardized references to information sources and control points in buildings, existing studies have shown that semantic ontologies and corresponding queries have the potential to ease the deployment of such controllers. Yet, the use of semantic information to ease the deployment processes of MPC controllers is still limited. In this paper, we review three MPC experiments and synthesize the information requirements of these optimization problems. We then turn to existing and upcoming semantic ontologies such as Brick, SAREF and ASHRAE Standard 223 to represent these requirements, evaluating their potential to support the implementation of an MPC controller. This investigation concludes with a discussion of existing opportunities and open questions that the community should explore to support more streamlined MPC implementations.

Prakash, Anand Krishnan↗

Tunturi virus isolates and metagenome-assembled viral genomes provide insights into the virome of Acidobacteriota in Arctic tundra soils

Arctic soils are climate-critical areas, where microorganisms play crucial roles in nutrient cycling processes. Acidobacteriota are phylogenetically and physiologically diverse bacteria that are abundant and active in Arctic tundra soils. Still, surprisingly little is known about acidobacterial viruses in general and those residing in the Arctic in particular. Here, we applied both culture-dependent and -independent methods to study the virome of Acidobacteriota in Arctic soils. Five virus isolates, Tunturi 1–5, were obtained from Arctic tundra soils, Kilpisjärvi, Finland (69°N), using Tunturiibacter spp. strains originating from the same area as hosts. The new virus isolates have tailed particles with podo- (Tunturi 1, 2, 3), sipho- (Tunturi 4), or myovirus-like (Tunturi 5) morphologies. The dsDNA genomes of the viral isolates are 63–98 kbp long, except Tunturi 5, which is a jumbo phage with a 309-kbp genome. Tunturi 1 and Tunturi 2 share 88% overall nucleotide identity, while the other three are not related to one another. For over half of the open reading frames in Tunturi genomes, no functions could be predicted. To further assess the Acidobacteriota-associated viral diversity in Kilpisjärvi soils, bulk metagenomes from the same soils were explored and a total of 1881 viral operational taxonomic units (vOTUs) were bioinformatically predicted. Almost all vOTUs (98%) were assigned to the class Caudoviricetes. For 125 vOTUs, including five (near-)complete ones, Acidobacteriota hosts were predicted. Acidobacteriota-linked vOTUs were abundant across sites, especially in fens. Terriglobia-associated proviruses were observed in Kilpisjärvi soils, being related to proviruses from distant soils and other biomes. Approximately genus- or higher-level similarities were found between the Tunturi viruses, Kilpisjärvi vOTUs, and other soil vOTUs, suggesting some shared groups of Acidobacteriota viruses across soils. This study provides acidobacterial virus isolates as laboratory models for future research and adds insights into the diversity of viral communities associated with Acidobacteriota in tundra soils. Predicted virus-host links and viral gene functions suggest various interactions between viruses and their host microorganisms. Largely unknown sequences in the isolates and metagenome-assembled viral genomes highlight a need for more extensive sampling of Arctic soils to better understand viral functions and contributions to ecosystem-wide cycling processes in the Arctic.

54 ENVIRONMENTAL SCIENCES↗

Parallel processing methods for space based power systems

This report presents a method for doing load-flow analysis of a power system by using a decomposition approach. The power system for the Space Shuttle is used as a basis to build a model for the load-flow analysis. To test the decomposition method for doing load-flow analysis, simulations were performed on power systems of 16, 25, 34, 43, 52, 61, 70, and 79 nodes. Each of the power systems was divided into subsystems and simulated under steady-state conditions. The results from these tests have been found to be as accurate as tests performed using a standard serial simulator. The division of the power systems into different subsystems was done by assigning a processor to each area. There were 13 transputers available, therefore, up to 13 different subsystems could be simulated at the same time. This report has preliminary results for a load-flow analysis using a decomposition principal. The report shows that the decomposition algorithm for load-flow analysis is well suited for parallel processing and provides increases in the speed of execution.

Berry, F. C.↗

The Final Approach Spacing Tool

A system for assisting terminal area air traffic controllers in the management and control of arrival traffic, referred to as the Final Approach Spacing Tool (FAST), is being developed at NASA Ames Research Center. In a cooperative program, NASA and FAA have efforts underway to install and evaluate the system at the Dallas/Fort Worth Terminal Radar Approach Control facility. This paper will review the software architecture, the algorithms components, and the human-machine interface. The system is based on continuous updates of a detailed trajectory analyses of all arrival aircraft. FAST interprets the results of these trajectory analyses to build an efficient and procedurally acceptable plan for the arrival traffic that consists of a sequence, schedule, and runway assignment. The system utilizes a heuristically-based conflict resolution algorithm to build a solution trajectory that satisfies the plan, It extracts a series of speed and heading advisories from the solution trajectory to assist the controller in efficiently managing and controlling the arrival traffic down to the runway. The advisories are displayed in a graphical format to the controller. In addition to the radar tracking data, the system also relies on a series of data bases. These data bases contain aircraft performance models, airline preferred operational procedures, airspace structure, air traffic procedural models, and a three dimensional wind model. Field evaluation of FAST is expected to begin in 1994.

Davis, Thomas J.↗

The Pan-Arctic Vegetation Cover (PAVC) database v1.1

The Pan-Arctic Vegetation Cover (PAVC) database contains synthesized field-data observations of vegetation cover from 978 Arctic Alaska plots with observations from 2010 to 2021. The cover datasets contain plot data at both the plant functional type (PFT) and species-level resolution, with standardized PFT definitions and species names. We synthesized publicly available point-intercept and visual estimate plots from the Arctic Vegetation Archive of Alaska, the Alaska Vegetation Plots Database, the North Slope Science Catalog, and the National Ecological Observatory Network; as well as previously unpublished data from the Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic).Users will find four synthesized datasets, 4 associated data descriptor (dd) files, and 1 metadata file in the PAVC database:synthesized_species_fcover.csv contains fractional cover (fcover) for unique accepted species names, where names include vegetation identified at the family, genus, species, subspecies, and variety levels, as well as general functional types across all 5 data sources. The synthesized_species_fcover_dd.csv accompanies this dataset with header information.synthesized_pft_fcover.csv contains fcover for the following PFTs: non-vascular plants with lichen and bryophyte subcategories, trees with deciduous and evergreen subcategories, shrubs with deciduous and evergreen subcategories, graminoids (grasses), and forbs (herbaceous flowering plants) measured as total cover. Litter and “other” cover are also included as total cover. Additional “types” include water and bare ground, which were measured as top cover. The synthesized_pft_fcover_dd.csv accompanies this dataset with header information.species_pft_checklist.csv is a lookup table containing the translation from a dataset species name to an accepted species name and to a PFT. This table can be used to clarify our species to PFT adjudications, and to aid users in assigning their own PFTs. Any issues found in this checklist should be reported in the Issues tab of our github.survey_unit_information.csv contains auxiliary information about the plots synthesized in this database. It contains useful information for filtering plots of interest based on temporal, geospatial, and contextual information about the plot surveys.flmd.csv contains metadata information about each file in the database.This research was performed as a part of the NGEE Arctic project. The NGEE Arctic project was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Estimating the Cramer-Rao bound for restored astronomical observations

This work addresses the problem of assigning confidence intervals to estimated photometry data obtained from astronomical observations. The proposed solution is to estimate the Cramer-Rao bound, which is an analytical expression that describes the minimum obtainable mean square error associated with a given estimate of a parameter. This Letter presents a compact and simple form for the bound associated with a linear estimator such as a Wiener filter estimator. A prescription for estimating the variance associated with each element in a restored object was developed using an analytical model for observed data corrupted by either Poisson or Gaussian noise. Both one- and two-dimensional examples are presented.

Zaccheo, T. S.↗

Measuring the neutrino-oxygen neutral current quasielastic cross section using the accelerator neutrino neutron interaction experiment

The Accelerator Neutrino Neutron Interaction Experiment (ANNIE) is a 26-ton gadolinium-doped water Cherenkov detector located on-axis to Fermilab’s Booster Neutrino Beam (BNB). ANNIE is uniquely positioned to perform high-statistics measurements of neutrino-nucleus interactions in water, benefiting from a large neutrino flux due to a short (100-meter) baseline. A central focus of ANNIE’s physics program is the measurement of both charged current (CC) and neutral current (NC) cross sections on water, including neutral current quasielastic (NCQE) and CC-inclusive channels. The NCQE measurement is particularly critical for constraining uncertainties in rare-event searches such as the Diffuse Supernova Neutrino Background (DSNB), where atmospheric $\nu$NCQE interactions constitute a significant and poorly constrained background. This dissertation presents a measurement of the flux-averaged neutrino-oxygen neutral current quasielastic ($\nu$NCQE) cross section using $2.573 \times 10^{20}$~POT of BNB exposure from the 2022 and 2023 beam years. The $\nu$NCQE interaction is identified through the primary $\gamma$-rays produced by nuclear de-excitation of the residual $^{15}$N$^*$ or $^{15}$O$^*$ nucleus following nucleon knockout from $^{16}$O. A dedicated Monte Carlo (MC) re-tuning campaign was conducted using an americium-beryllium (AmBe) calibration source, Michel electrons from stopped muons, and throughgoing dirt muons originating upstream of the detector. This multi-sample approach provided a wide-ranging $\mathcal{O}(\text{MeV})$--$\mathcal{O}(\text{GeV})$ dataset for tuning the simulated detector response, which was subsequently validated against AmBe neutron and Michel electron data for use in the $\nu$NCQE analysis. A dedicated laser calibration campaign was carried out to reduce timing uncertainties across the PMT system, enabling reconstruction of the BNB bunch substructure with sufficient resolution to serve as a background rejection tool. By selecting events in-time with individual neutrino bunches, beam-correlated $\nu$NCQE events are separated from diffuse and accelerator-induced backgrounds, notably skyshine neutrons and externally-originating events, that would otherwise dominate traditional charge-based selections within a small-scale, surface-level, short-baseline detector. A data-driven estimation of the skyshine neutron and external background rates was performed and incorporated into the systematic uncertainty budget. The flux-averaged $\nu$NCQE cross section on oxygen is measured to be $1.57 \pm 0.06\,(\text{stat.})$ $^{+0.91}_{-0.67}\,(\text{syst.})$ $\times 10^{-38}\ \text{cm}^{2}$. A full systematic budget is constructed by propagating uncertainties in the secondary hadronic interaction modeling, background cross section normalizations, detector response, neutrino flux, and the primary $\gamma$-ray emission probabilities from oxygen nuclear de-excitation. An idealized de-excitation model, constructed from existing measurements in the literature is developed to benchmark the predictions of the \textsc{GENIE} event generator. A comparison reveals that \textsc{GENIE} systematically overpredicts the primary $\gamma$-ray emission probability from oxygen de-excitation by a factor of $1.49\times$ for $E_\gamma > 6$~MeV and $3.07\times$ in the $3$--$6$~MeV band. This comparison motivates the dominant systematic uncertainty in this analysis, where a conservative uncertainty of $^{+39.9\%}_{-0\%}$ on the primary $\gamma$-ray signal prediction is assigned. The ANNIE result is consistent with and complementary to existing flux-averaged $\nu$NCQE cross section measurements from T2K and Super-Kamiokande, providing an independent measurement with a different detector, neutrino beam, and analysis methodology. Looking ahead, an upgrade to the ANNIE DAQ infrastructure enabling continuous extended readout will allow a complementary $\nu$NCQE neutron multiplicity measurement, directly relevant to constraining the NCQE background in DSNB searches, competitive with the recent T2K measurement at SK-Gd. The planned Super-SANDI upgrade, deploying a large Water-based Liquid Scintillator (WbLS) volume, will further extend ANNIE's reach to hadronic final states and exclusive NC channels, and enable joint measurements with liquid argon detectors sharing the BNB beamline ahead of DUNE and Hyper-Kamiokande.

Doran, Steven [Iowa State U.]↗

Nonlinear nanoelectrodynamics of a Weyl metal

Chiral Weyl fermions with linear energy-momentum dispersion in the bulk accompanied by Fermi-arc states on the surfaces prompt a host of enticing optical effects. While new Weyl semimetal materials keep emerging, the available optical probes are limited. In particular, isolating bulk and surface electrodynamics in Weyl conductors remains a challenge. We devised an approach to the problem based on near-field photocurrent imaging at the nanoscale and applied this technique to a prototypical Weyl semimetal TaIrTe 4 . As a first step, we visualized nano-photocurrent patterns in real space and demonstrated their connection to bulk nonlinear conductivity tensors through extensive modeling augmented with density functional theory calculations. Notably, our nanoscale probe gives access to not only the in-plane but also the out-of-plane electric fields so that it is feasible to interrogate all allowed nonlinear tensors including those that remained dormant in conventional far-field optics. Surface- and bulk-related nonlinear contributions are distinguished through their “symmetry fingerprints” in the photocurrent maps. Robust photocurrents also appear at mirror-symmetry breaking edges of TaIrTe 4 single crystals that we assign to nonlinear conductivity tensors forbidden in the bulk. Here, nano-photocurrent spectroscopy at the boundary reveals a strong resonance structure absent in the interior of the sample, providing evidence for elusive surface states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Orbiter middeck/payload standard interfaces control document

The interfaces which shall be provided by the baseline shuttle mid-deck for payload use within the mid-deck area are defined, as well as all constraints which shall be observed by all the users of the defined interfaces. Commonality was established with respect to analytical approaches, analytical models, technical data and definitions for integrated analyses by all the interfacing parties. Any payload interfaces that are out of scope with the standard interfaces defined shall be defined in a Payload Unique Interface Control Document (ICD) for a given payload. Each Payload Unique ICD will have comparable paragraphs to this ICD and will have a corresponding notation of A, for applicable; N/A, for not applicable; N, for note added for explanation; and E, for exception. On any flight, the STS reserves the right to assign locations to both payloads mounted on an adapter plate(s) and payloads stored within standard lockers. Specific locations requests and/or requirements exceeding standard mid-deck payload requirements may result in a reduction in manifesting opportunities.

Source record↗

Medical Optimization Network for Space Telemedicine Resources

INTRODUCTION: Long-duration missions beyond low Earth orbit introduce new constraints to the space medical system. Beyond the traditional limitations in mass, power, and volume, consideration must be given to other factors such as the inability to evacuate to Earth, communication delays, and limitations in clinical skillsets. As NASA develops the medical system for an exploration mission, it must have an ability to evaluate the trade space of what resources will be most important. The Medical Optimization Network for Space Telemedicine Resources (MONSTR) was developed over the past year for this reason, and is now a system for managing data pertaining to medical resources and their relative importance when addressing medical conditions. METHODS: The MONSTR web application with a Microsoft SQL database backend was developed and made accessible to Tableau v9.3 for analysis and visualization. The database was initially populated with a list of medical conditions of concern for an exploration mission taken from the Integrated Medical Model (IMM), a probabilistic model designed to quantify in-flight medical risk. A team of physicians working within the Exploration Medical Capability Element of NASA's Human Research Program compiled a list diagnostic and treatment medical resources required to address best- and worst-case scenarios of each medical condition using a terrestrial standard of care and entered this data into the system. This list included both tangible resources (e.g. medical equipment, medications) and intangible resources (e.g. clinical skills required to perform a procedure). The physician team then assigned criticality values to each instance of a resource, representing the importance of that resource to diagnosing or treating its associated condition(s). Medical condition probabilities of occurrence during a Mars mission were pulled from the IMM and imported into the MONSTR database for use within a resource criticality-weighting algorithm. DISCUSSION: The MONSTR tool is a novel approach to assess the relative value of individual resources needed for the diagnosis and treatment of medical conditions. Future work will add resources for prevention and long term care of these conditions. Once data collection is complete, MONSTR will provide the operational and research communities at NASA with information to support informed decisions regarding areas of research investment, future crew training, and medical supplies manifested as part of any exploration medical system.

Rubin, D.↗

Spectral widths and Stokes shifts in InP-based quantum dots

InP-based quantum dots (QDs) have Stokes shifts and photoluminescence (PL) line widths that are larger than in II–VI semiconductor QDs with comparable exciton energies. The mechanisms responsible for these spectral characteristics are investigated in this paper. Upon comparing different semiconductors, we find the Stokes shift decreases in the following order: InP > CdTe > CdSe. We also find that the Stokes shift decreases with core size and decreases upon deposition of a ZnSe shell. We suggest that the Stokes shift is largely due to different absorption and luminescent states in the angular momentum fine structure. The energy difference between the fine structure levels, and hence the Stokes shifts, are controlled by the electron–hole exchange interaction. Luminescence polarization results are reported and are consistent with this assignment. Spectral widths are controlled by the extent of homogeneous and inhomogeneous broadening. Here, we report PL and PL excitation (PLE) spectra that facilitate assessing the roles of homogeneous and different inhomogeneous broadening mechanisms in the spectra of zinc-treated InP and InP/ZnSe/ZnS particles. There are two distinct types of inhomogeneous broadening: size inhomogeneity and core–shell interface inhomogeneity. The latter results in a distribution of core–shell band offsets and is caused by interfacial dipoles associated with In–Se or P–Zn bonding. Quantitative modeling of the spectra shows that the offset inhomogeneity is comparable to but somewhat smaller than the size inhomogeneity. The combination of these two types of inhomogeneity also explains several aspects of reversible hole trapping dynamics involving localized In 3+ /V Zn 2– impurity states in the ZnSe shells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vibrational properties of heme-nitrosoalkane complexes in comparison with those of their HNO analogs, and reactivity studies towards nitric oxide and Lewis acids

C-Nitroso compounds (RNO, R = alkyl and aryl) are byproducts of drug metabolism and bind to heme proteins, and their heme-RNO adducts are isoelectronic to ferrous nitroxyl (NO-/HNO) complexes. Importantly, heme-HNO compounds are key intermediates in the reduction of NO to N 2 O and nitrite to ammonium in the nitrogen cycle. Ferrous heme-RNO complexes act as stable analogs of these species, potentially allowing for the investigation of the vibrational and electronic properties of unstable heme-HNO intermediates. In this paper, a series of six-coordinate ferrous heme-RNO complexes (where R = iPr and Ph) were prepared using the TPP 2- and 3,5-Me-BAFP 2- co-ligands, and tetrahydrofuran, pyridine, and 1-methylimidazole as the axial ligands (bound trans to RNO). These complexes were characterized using different spectroscopic methods and X-ray crystallography. The complex [Fe(TPP)(THF)(iPrNO)] was further utilized for nuclear resonance vibrational spectroscopy (NRVS), allowing for the detailed assignment of the Fe–N(R)O vibrations of a heme-RNO complex for the first time. The vibrational properties of these species were then correlated with those of their HNO analogs, using DFT calculations. Our studies support previous findings that RNO ligands in ferrous heme complexes do not elicit a significant trans effect. In addition, the complexes are air-stable, and do not show any reactivity of their RNO ligands towards NO. So although ferrous heme-RNO complexes are suitable structural and electronic models for their HNO analogs, they are unsuitable to model the reactivity of heme-HNO complexes. We further investigated the reaction of our heme-RNO complexes with different Lewis acids. Here, [Fe(TPP)(THF)(iPrNO)] was found to be unreactive towards Lewis acids. In contrast, [Fe(3,5-Me-BAFP)(iPrNO) 2 ] is reactive towards all of the Lewis acids investigated here, but in most cases the iron center is simply oxidized, resulting in the loss of the iPrNO ligand. In the case of the Lewis acid B 2 (pin) 2 , the reduced product [Fe(3,5-Me-BAFP)(iPrNH 2 )(iPrNO)] was identified by X-ray crystallography.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A distribution benefits model for improved information on worldwide crop production. Volume 2: Application to various crops

ECON's distribution benefits model has been applied to worldwide distribution of corn, rye, oats, barley, soybeans, and sugar, and to domestic distribution of potatoes. The results indicate that a LANDSAT system with thematic mapper might produce benefits to the United States of about $119 million per year, due to more efficient distribution of these commodities. The benefits to the rest of the world have also been calculated, with a breakdown between trade benefits and those associated with internal use patterns. By far the greatest part of the estimated benefits are assigned to corn, with smaller benefits assigned to soybeans and the small grains (rye, oats, and barley).

Andrews, J.↗