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All sources NASA NTRS DOE OSTI

NASA NTRS2013

The Lifetime Surveillance of Astronaut Health (LSAH) Project

From 1989-2010 NASA conducted a research study, the Longitudinal Study of Astronaut Health, to investigate the incidence of acute and chronic morbidity and mortality in astronauts and to determine whether their occupational exposures were associated with increased risk of death or disability. In 2004, the Institute of Medicine recommended that NASA convert the longitudinal study into an occupational health surveillance program and in 2010, NASA initiated the Lifetime Surveillance of Astronaut Health project. The new program collects data on astronaut workplace exposures, especially those occurring in the training and space flight environments, and conducts operational and health care analyses to look for trends in exposure and health outcomes. Astronaut selection and retention medical standards are rigorous, requiring an extensive clinical testing regimen. As a result, this employee population has contributed to a large set of health data available for analyses. Astronauts represent a special population with occupational exposures not typically experienced by other employee populations. Additionally, astronauts are different from the general population in terms of demographic and physiologic characteristics. The challenges and benefits of conducting health surveillance for an employee population with unique occupational exposures will be discussed. Several occupational surveillance projects currently underway to examine associations between astronaut workplace exposures and medical outcomes will be described.

Bopp, Eugenia↗

NASA NTRS2014

Evaluation of the First Transport Rotorcraft Airframe Crash Testbed (TRACT 1) Full-Scale Crash Test

In 2012, the NASA Rotary Wing Crashworthiness Program initiated the Transport Rotorcraft Airframe Crash Testbed (TRACT) research program by obtaining two CH-46E helicopters from the Navy CH-46E Program Office (PMA-226) at the Navy Flight Readiness Center in Cherry Point, North Carolina. Full-scale crash tests were planned to assess dynamic responses of transport-category rotorcraft under combined horizontal and vertical impact loading. The first crash test (TRACT 1) was performed at NASA Langley Research Center's Landing and Impact Research Facility (LandIR), which enables the study of critical interactions between the airframe, seat, and occupant during a controlled crash environment. The CH-46E fuselage is categorized as a medium-lift rotorcraft with fuselage dimensions comparable to a regional jet or business jet. The first TRACT test (TRACT 1) was conducted in August 2013. The primary objectives for TRACT 1 were to: (1) assess improvements to occupant loads and displacement with the use of crashworthy features such as pre-tensioning active restraints and energy absorbing seats, (2) develop novel techniques for photogrammetric data acquisition to measure occupant and airframe kinematics, and (3) provide baseline data for future comparison with a retrofitted airframe configuration. Crash test conditions for TRACT 1 were 33-ft/s forward and 25-ft/s vertical combined velocity onto soft soil, which represent a severe, but potentially survivable impact scenario. The extraordinary value of the TRACT 1 test was reflected by the breadth of meaningful experiments. A total of 8 unique experiments were conducted to evaluate ATD responses, seat and restraint performance, cargo restraint effectiveness, patient litter behavior, and photogrammetric techniques. A combination of Hybrid II, Hybrid III, and ES-2 Anthropomorphic Test Devices (ATDs) were placed in forward and side facing seats and occupant results were compared against injury criteria. Loads from ATDs in energy absorbing seats and restraints were within injury limits. Severe injury was likely for ATDs in forward facing passenger seats, legacy troop bench seats, and a three-tiered patient litter. In addition, two standing ATDs were used to evaluate the benefit of Mobile Aircrew Restraint Systems (MARS) versus a standard gunner's belt. The ATD with the MARS survived the impact, while fatal head blunt trauma occurred for the standing ATD held by the legacy gunner's belt. In addition to occupant loading, the structural response of the airframe was assessed based on accelerometers located throughout the airframe and using three-dimensional photogrammetric techniques. Analysis of the photogrammetric data indicated regions of maximum deflection and permanent deformation.

Annett, Martin S.↗

NASA NTRS2019

Evaluation of Impact Energy Attenuators and Composite Material Designs of a UAM VTOL Concept Vehicle

The development of Vertical Take-off and Landing (VTOL) vehicles for the Urban Air Mobility (UAM) markets presents a need for light weight vehicle structures with effective occupant protection capabilities. The National Aeronautics and Space Administration (NASA) has been working to fill that need, recently developing a cadre of concept vehicles to help characterize UAM design feasibility. This paper describes a study, using these concept vehicles, to evaluate the use of advanced composite structure and energy attenuating designs in the UAM vehicle design space. A finite element model (FEM) of a single passenger quadrotor concept vehicle was developed in LS-Dyna® and simulated under nominal and off-nominal vertical impact conditions. A variety of energy attenuating design mechanisms were implemented within this model to quantify their effectiveness in improving occupant safety. The use of carbon composites in both the energy attenuation mechanisms and vehicle structure was evaluated. The results of this study found significant reduction in occupant injury risk with the implementation of energy absorbing composite crush tubes and landing gear within the vehicle design. Additionally the use of a carbon fiber as a structural material was found to provide significant weight reduction while maintaining similar occupant loads to that predicted with an aluminum structure. This work provides a preliminary evaluation of design mechanisms and materials that may be used to optimize occupant protection capabilities within the UAM market.

Putnam, Jacob↗

NASA NTRS2019

Safe2Ditch Steer-To-Clear Development and Flight Testing

This paper describes a series of small unmanned aerial system (sUAS) flights performed at NASA Langley Research Center in April and May of 2019 to test a newly added Steer-to-Clear feature for the Safe2Ditch (S2D) prototype system. S2D is an autonomous crash management system for sUAS. Its function is to detect the onset of an emergency for an autonomous vehicle, and to enable that vehicle in distress to execute safe landings to avoid injuring people on the ground or damaging property. Flight tests were conducted at the City Environment Range for Testing Autonomous Integrated Navigation (CERTAIN) range at NASA Langley. Prior testing of S2D focused on rerouting to an alternate ditch site when an occupant was detected in the primary ditch site. For Steer-to-Clear testing, S2D was limited to a single ditch site option to force engagement of the Steer-to-Clear mode. The implementation of Steer-to-Clear for the flight prototype used a simple method to divide the target ditch site into four quadrants. An RC car was driven in circles in one quadrant to simulate an occupant in that ditch site. A simple implementation of Steer-to- Clear was programmed to land in the opposite quadrant to maximize distance to the occupant’s quadrant. A successful mission was tallied when this occurred. Out of nineteen flights, thirteen resulted in successful missions. Data logs from the flight vehicle and the RC car indicated that unsuccessful missions were due to geolocation error between the actual location of the RC car and the derived location of it by the Vision Assisted Landing component of S2D on the flight vehicle. Video data indicated that while the Vision Assisted Landing component reliably identified the location of the ditch site occupant in the image frame, the conversion of the occupant’s location to earth coordinates was sometimes adversely impacted by errors in sensor data needed to perform the transformation. Logged sensor data was analyzed to attempt to identify the primary error sources and their impact on the geolocation accuracy. Three trends were observed in the data evaluation phase. In one trend, errors in geolocation were relatively large at the flight vehicle’s cruise altitude, but reduced as the vehicle descended. This was the expected behavior and was attributed to sensor errors of the inertial measurement unit (IMU). The second trend showed distinct sinusoidal error for the entire descent that did not always reduce with altitude. The third trend showed high scatter in the data, which did not correlate well with altitude. Possible sources of observed error and compensation techniques are discussed.

Petty, Bryan J.↗

DOE OSTI2019

Data fusion in predicting internal heat gains for office buildings through a deep learning approach

Heating, Ventilation, and Air Conditioning (HVAC) is a major energy consumer in buildings. The predictive control has demonstrated a potential to reduce HVAC energy use. To facilitate predictive HVAC control, internal heat gains prediction is required. Here, we applied Long Short-Term Memory Networks, a special form of deep neural network, to predict miscellaneous electric loads, lighting loads, occupant counts and internal heat gains in two United States office buildings. Compared with the predetermined schedules used in American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE) standard 90.1, the Long Short-Term Memory Networks method could reduce the prediction errors of internal heat gains from 12% to 8% in Building A, and from 26% to 16% in Building B. It was also found that for internal heat gains prediction, miscellaneous electric loads is a more important feature than occupant counts for two reasons. First, miscellaneous electric loads is the best proxy variable for internal heat gains, as it is the major component of and has the highest correlation coefficient with the internal heat gains. Second, miscellaneous electric loads contain valuable information to predict occupant count, while occupant count could not help improve miscellaneous electric loads prediction. Lastly, these findings could help researchers and practitioners select the most relevant features to more accurately predict internal heat gains for the implementation of predictive HVAC control in buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

Human-building interaction at work: Findings from an interdisciplinary cross-country survey in Italy

This study presents results from an interdisciplinary survey assessing contextual and behavioral factors driving occupants’ interaction with building and systems in offices located across three different Mediterranean climates in Turin (Northern), Perugia (Central), and Rende (Southern) Italy. The survey instrument is grounded in an interdisciplinary framework that bridges the gap between building physics and social science environments on the energy- and comfort-related human-building interaction in the workspace. Outcomes of the survey questionnaire provide insights into four key learning objectives: (1) individual occupant's motivational drivers regarding interaction with shared building environmental controls (such as adjustable thermostats, operable windows, blinds and shades, and artificial lighting), (2) group dynamics such as perceived social norms, attitudes, and intention to share controls, (3) occupant perception of the ease of use and knowledge of how to operate control systems, and (4) occupant-perceived comfort, satisfaction, and productivity. The study attempts to identify climatic, cultural, and socio-demographic influencing factors, as well as to establish the validity of the survey instrument and robustness of outcomes for future studies. Also, the paper aims at illustrating why and how social science insights can bring innovative knowledge into the adoption of building technologies in shared contexts, thus enhancing perceived environmental satisfaction and effectiveness of personal indoor climate control in office settings and impacting office workers’ productivity and reduced operational energy costs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2019

Linking human-building interactions in shared offices with personality traits

Occupant behavior influences office building energy performance. The level of human-building interactions (HBIs) in shared offices strongly influences building energy use and occupant well-being. This study explored the link between occupant personality types and their behaviors of sharing energy and environment control systems and interactions with their colleagues. Inspired by the Five-Factor Model (FFM), we classified HBI behaviors into four dimensions: willingness to share control, knowledge of control, group decision behavior, and adaptive strategies. These four variables can be mapped to the four personality traits proposed by the FFM: agreeableness, openness, extraversion, and conscientiousness. Our cluster analysis identified six behavioral patterns: average (17.7%), reserved (15.3%), environmentally friendly (16.6%), role model (24.2%), self-centered (17.2%), and mechanist (9.0%). We further applied association rules, a widely utilized machine learning technique, to discover how demographics, building-related contextual factors, and perception-attitudinal factors influence HBI behaviors. Country, control feature accessibility, and group dynamics were found to be the three most influential factors that determine occupants’ HBI behaviors. Finally, the study provides insights about building design and operation, as well as policy to promote socially and environmentally desirable HBI behaviors in a shared office environment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Thermodynamic modeling of the Pd–Zn system with uncertainty quantification and its implication to tailor catalysts

Pd–Zn intermetallic catalysts show encouraging combinations of activity and selectivity on well-defined active site ensembles. Thermodynamic description of the Pd–Zn system, delineating phase boundaries and enumerating site occupancies within intermediate alloy phases, is essential to determining the ensembles of Pd–Zn atoms as a function of composition and temperature. Combining the present extensive first-principles calculations based on density functional theory (DFT) and available experimental data, the Pd–Zn system was remodeled using the CALculation of PHAse Diagrams (CALPHAD) approach. High throughput modeling tools with uncertainty quantification, i.e., ESPEI and PyCalphad, were incorporated in the phase analysis. Here, the site occupancies across the γ phase composition region were given special attention. A four-sublattice model was used for the γ phase owing to its four Wyckoff positions, i.e., the outer tetrahedral (OT) site 8c, the inner tetrahedral (IT) site 8c, the octahedral (OH) site 12e, and the cuboctahedral (CO) site 24g. The site fractions of Pd and Zn calculated from the present thermodynamic model show the occupancy preference of Pd in the OT and OH sublattices in agreement with experimental observations. The force constants obtained from DFT-based phonon calculations further supports the tendency of Pd occupying the OH sublattice compared with the IT and CO sublattice. The catalytic ensembles changing from Pd monomers (Pd 1 ) to trimers (Pd 3 ) on the surface of γ phase are attributed to the increase of Pd occupancy in the OH sublattice.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Comparison of the performance of TLD, OSL and RPL personal dosimetry systems to the American National Standard Institute (ANSI) test categories

The Laboratory Accreditation Program (LAP) tests the capability and performance of the United States Department of Energy's (USDOE) facilities to accurately measure and quantify the whole-body and extremity radiation equivalent doses to the occupational workers. The dosimetry methods used in personal dosimetry can be Thermoluminescence (TL), Optically Stimulated Luminescence (OSL) and Radiophotoluminescence (RPL), among other techniques available. Currently, the TL (LiF:Mg,Ti) and OSL (Al 2 O 3 :C) dosimetry systems are DOELAP-accredited for occupational dose measurements and regulatory reporting. In this study, the performance of a beryllium oxide (BeO) OSL dosimetry system and of a silver-doped phosphate glass RPL dosimetry system is compared against the performance of an accredited LiF:Mg,Ti TL dosimetry system. The bias and standard deviation in each of the performance test categories are compared between these three systems for exposures to photons, beta, and mixed radiation fields with the criteria established by the American National Standard Institute (ANSI) and Health Physics Society (HPS) N13.11-2022 standard. The practical implementation of the dosimetry program and its equivalency to the occupational personal equivalent dose H p (0.07) and H p (10) measurements were evaluated. The TL, OSL and RPL dosimetry systems passed the ANSI performance test criteria for H p (0.07) and H p (10) occupational dose measurements and met the DOELAP accreditation requirements.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2023

Aggregate residential demand flexibility behavior: A novel assessment framework

Residential demand flexibility (DF) could save the U.S. electric grid up to 10 GW of peak demand while supporting increased amounts of renewable generation. However, less than 40% of the estimated DF peak reduction capacity is currently realized, and less than 8% of American households are enrolled. These low participation rates are combined with high rates of "overriding" a DF event and eventual opt-outs among enrolled customers. There is still not a comprehensive understanding of the drivers of DF participation and occupant interaction with DF program signals. We, therefore, present a novel survey processing framework to assess occupant DF-relevant behavior from the American Time Use Survey (ATUS). Using the framework, we summarize both the extensive and intensive behavior of more than 200,000 ATUS respondents (2003-2018 data) and provide insights on the DF-relevant behavior of residential occupants, which is generally overlooked in the literature. Here we use the framework to identify the activity priorities of residential occupants in the United States during different DF-relevant periods (critical peak, peak, and off-peak). These preferred activities capture overlooked routine behaviors that could be barriers to DF participation, if ignored, and might explain the high levels of overrides often exhibited by participants of demand response.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2014

Pollutant Exposures from Natural Gas Cooking Burners: A Simulation-Based Assessment for Southern California

Background: Residential natural gas cooking burners (NGCBs) can emit substantial quantities of pollutants, and they are typically used without venting range hoods. Objective: We quantified pollutant concentrations and occupant exposures resulting from NGCB use in California homes. Methods: A mass-balance model was applied to estimate time-dependent pollutant concentrations throughout homes in Southern California and the exposure concentrations experienced by individual occupants. We estimated nitrogen dioxide (NO2), carbon monoxide (CO), and formaldehyde (HCHO) concentrations for 1 week each in summer and winter for a representative sample of Southern California homes. The model simulated pollutant emissions from NGCBs as well as NO2 and CO entry from outdoors, dilution throughout the home, and removal by ventilation and deposition. Residence characteristics and outdoor concentrations of NO2 and CO were obtained from available databases. We inferred ventilation rates, occupancy patterns, and burner use from household characteristics. We also explored proximity to the burner(s) and the benefits of using venting range hoods. Replicate model executions using independently generated sets of stochastic variable values yielded estimated pollutant concentration distributions with geometric means varying by < 10%. Results: The simulation model estimated that—in homes using NGCBs without coincident use of venting range hoods—62%, 9%, and 53% of occupants are routinely exposed to NO2, CO, and HCHO levels that exceed acute health-based standards and guidelines. NGCB use increased the sample median of the highest simulated 1-hr indoor concentrations by 100, 3,000, and 20 ppb for NO2, CO, and HCHO, respectively. Conclusions: Reducing pollutant exposures from NGCBs should be a public health priority. Simulation results suggest that regular use of even moderately effective venting range hoods would dramatically reduce the percentage of homes in which concentrations exceed health-based standards.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

Proposed Risk-Based Approach for Nitrosamine Chemicals of Potential Concern

This report documents the re-evaluation of Hanford Tank Farm (HTF) occupational exposure limits (OEL) for five N-nitrosamines identified as Chemicals of Potential Concern (COPC), and two other N-nitrosamines being considered as COPCs. N-nitrosamines are genotoxic, and exposure has been historically regulated based on cancer as the endpoint of concern. Currently, HTF OELs are based on German Maximum Arbeitsplatz Konzentration values that are no longer used. The National Institute of Occupational Safety and Health (NIOSH) recently released new policy applying a risk-based approach to develop OELs for occupational carcinogens and plans to release guidance on specific chemicals in the future. Consistent with this new NIOSH policy, Pacific Northwest National Laboratory proposes a risk-based approach to establish risk-specific doses for occupational exposures to N-nitrosamine COPCs. This approach establishes a range of N-nitrosamine inhalation exposures associated with risk levels that can be used as a tool for protecting HTF workers. Updated guidance from NIOSH or other authoritative bodies on N-nitrosamine OELs should trigger a re-evaluation of this proposed approach.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

DOE OSTI2024

Hardware-in-the-loop Laboratory Performance Verification of Flexible Building Equipment in a Typical Commercial Building

This project aims to develop high-resolution equipment performance and occupant data that quantifies demand flexibility in typical commercial buildings. The dataset documented in this report includes comprehensive time-series measurements from hardware-in-the-loop (HIL) experiments conducted across multiple testbeds designed to simulate realistic operational environments for HVAC systems. Specifically, it captures minute-by-minute high-resolution data on the performance of various typical HVAC systems, including a variable-air-volume (VAV) air handling unit (AHU) system with chillers and an ice tank in the Intelligent Building Agents Laboratory (IBAL) at the National Institute of Standards and Technology (NIST), a two-stage air-source heat pump (ASHP) at the NIST, and a water-source heat pump (WSHP) at Texas A&M University (TAMU). The data were generated under a range of controlled conditions reflecting different grid scenarios and climatic influences, as well as various control strategies, building types, occupancy patterns, and occupant behaviors. This dataset provides DE-EE0009153 Final Report 5 detailed insights into the demand flexibility of these systems, including their response to grid signals, occupant behaviors, energy consumption patterns, and operational efficiency under different conditions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

AlphaBuilding - Synthetic Buildings Operation Dataset

This is a synthetic building operation dataset which includes HVAC, lighting, miscellaneous electric loads (MELs) system operating conditions, occupant counts, environmental parameters, end-use and whole-building energy consumptions at 10-minute intervals. The data is created with 1395 annual simulations using the U.S. DOE detailed medium-sized reference office building, and 30 years' historical weather data in three typical climates including Miami, San Francisco, and Chicago. Three energy efficiency levels of the building and systems are considered. Assumptions regarding occupant movements, occupants' diverse temperature preferences, lighting, and MELs are adopted to reflect realistic building operations. A semantic building metadata schema - BRICK, is used to store the building metadata. The dataset is saved in a 1.2 TB of compressed HDF5 file. This dataset can be used in various applications, including building energy and load shape benchmarking, energy model calibration, evaluation of occupant and weather variability and their influences on building performance, algorithm development and testing for thermal and energy load prediction, model predictive control, policy development for reinforcement learning based building controls.

AlphaBuilding↗

DOE OSTI2019

Influence of lure choice and survey duration on scent stations for carnivore surveys

Abstract Noninvasive, camera‐based, scent station surveys have become a common approach to estimate population parameters for mammalian carnivores. Many carnivores are particularly sensitive to olfactory cues; and, as such, the quality and quantity of odor attractant used during surveys can significantly affect the accuracy and precision of the survey. Additionally, survey length is also an important consideration because many mammalian predators are highly mobile and elusive in nature. Using scent station surveys in autumn 2013 and 2014 on the Savannah River Site, Aiken, South Carolina, USA, we tested the effects of 5 lures: fatty acid, fish oil, synthetic fermented egg, beaver castor, and skunk essence on visitation rates, visitation probability, and latency to visitation of multiple predator species. We also estimated occupancy probability for 2 carnivore species using different survey lengths to determine the effect of survey period on the precision of occupancy estimates. We found that skunk essence had greater visitation probability and visits than other lures evaluated. Species‐specific bait‐preference models revealed that raccoons ( Procyon lotor ) were more likely to visit skunk essence, and coyotes ( Canis latrans ) were less likely to visit fish oil as compared with fatty acid. Latency to visitation ranged from 104.7 to 112.1 hours and did not vary among scents. Longer survey durations resulted in more precise estimates of occupancy and detection probability. Our results suggest a wide range of scents commonly used for carnivore capture may perform as well as, or better than, fatty acid for noninvasive carnivore surveys. Further, study designs should carefully consider the duration of scent‐station surveys depending on the level of precision desired in estimates of occupancy and detection probability. © 2019 The Wildlife Society.

Webster, Sarah C.↗

DOE OSTI2019

A review of smart building sensing system for better indoor environment control

Here this paper aims to provide a systemic review of how indoor sensors influence in managing optimal energy saving, thermal comfort, visual comfort, and indoor air quality in the built environment. The optimal management of energy saving and occupant comfort plays a vital role in the built environment because the occupant's productivity and health are highly influenced by indoor environmental quality. In order to do this, there must be a functional sensing system that connects the environment variables (e.g., temperature) with building environmental control systems such as the heating, ventilation, and air-conditioning system. This paper starts with an overview of the importance of energy saving and occupant comfort in the built environment. It then discusses sensors and their importance in the built environment and reviews the different types of sensors, which explains them in terms of how they influence the indoor built environment and occupant productivity. The paper further explores the application of sensors in the built environment and analyzes this in terms of energy saving, thermal comfort, visual comfort, and indoor air quality. Following this, the data analysis is discussed in terms of data, information, and knowledge accrued from the sensors. Lastly, the paper discusses the future challenges for the improvement of building indoor environmental quality and energy saving by the application of sensors.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Iodine nutritional status and thyroid effects of exposure to ethylenebisdithiocarbamates

Introduction: Italy is still characterized by a mild iodine deficiency and is among the most intensive users of chemical products for agriculture in Europe. The aim of this study was i) to evaluate thyroid effects of exposure to mancozeb, a fungicide widely used in agriculture, in a sample of Italian grapevine workers, and ii) to verify whether the iodine intake may modulate the risk of thyroid disruption due to the mancozeb metabolite ethylenthiourea (ETU). Methods: One hundred seventy-seven occupationally exposed male workers (29 from Chianti, a mild iodine deficient area, and 148 from Bolzano an iodine sufficient province) and 74 non-occupationally exposed male controls (34 from Chianti and 40 from Bolzano) were enrolled in the study. Serum biomarkers of thyroid function, as well as urinary iodine and ETU concentrations were assessed. Moreover all the recruited subjects underwent clinical examination and thyroid ultrasound. Results: Multivariate comparisons showed lower mean serum levels of FT4 in Chianti-workers as compared to Bolzano-workers. Moreover, an increased urinary iodine excretion (>250 µg/L) was more frequently found among more exposed workers (ETU>20 µg/L) than among less exposed ones and this effect was more pronounced in Chianti- than in Bolzano-workers. Chianti-workers also showed a significantly higher frequency of very low thyroid volume (≤6.0 ml) as compared to controls. Conclusions: These findings showed a mild thyroid disrupting effect due to occupational exposure to mancozeb, more pronounced in workers residing in an area characterized by a mild to moderate iodine deficiency as compared to workers residing in an area covered by a long-lasting iodine prophylaxis program. - Highlights: • Thyroid is vulnerable to endocrine disrupting effects due to environmental exposures. • Mancozeb is a fungicide widely used in agriculture worldwide. • Mancozeb is broken down into ethylenthiourea (ETU) which has anti-thyroid activity. • Iodine intake may modulate thyroid disruption due to occupational exposure to ETU.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

Structural properties of mixed (NH{sub 4}){sub 2−x}Rb{sub x}ZnCl{sub 4} (x=0, 1, and 2) crystals studied by {sup 1}H and {sup 87}Rb nuclear magnetic resonance

The structures of mixed (NH{sub 4}){sub 2−x}Rb{sub x}ZnCl{sub 4} (x=0, 1, and 2) single crystals were determined by x-ray diffraction. In addition, the nuclear magnetic resonance (NMR) spectra and spin–lattice relaxation times of the {sup 1}H and {sup 87}Rb nuclei in the three crystals were determined using NMR spectroscopy. We analyzed the crystallographic structures of these crystals by considering the occupation probabilities (NH{sub 4} or Rb) of the two cationic sites. Our NMR results confirm that there are two crystallographically inequivalent NH{sub 4} sites, NH{sub 4}(1) and NH{sub 4}(2), in (NH{sub 4}){sub 2}ZnCl{sub 4}, and two crystallographically inequivalent Rb sites, Rb(1) and Rb(2), in Rb{sub 2}ZnCl{sub 4}. However, only one NH{sub 4} site and two Rb sites were observed in NH{sub 4}RbZnCl{sub 4}. The NH{sub 4} and Rb occupation rates of each of the two available sites, A{sub 1} and A{sub 2}, were determined from the NMR signals. - Graphical abstract: The structures of mixed (NH{sub 4}){sub 2−x}Rb{sub x}ZnCl{sub 4} (x=0, 1, and 2) single crystals were determined by x-ray diffraction. In addition, the nuclear magnetic resonance (NMR) spectra and spin–lattice relaxation times of the {sup 1}H and {sup 87}Rb nuclei in the three crystals were determined using NMR spectroscopy. Highlights: ► Mixed (NH{sub 4}){sub 2−x}Rb{sub x}ZnCl{sub 4} (x=0, 1, and 2) crystals. ► The crystallographic structures by occupation probabilities. ► The NH{sub 4} and Rb occupation rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗