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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Dispersion of surface-modified, aggregated, fumed silica in polymer nanocomposites

Surface modification of model silica to enhance compatibility in nanocomposites has been widely studied. In addition to model spherical silica, several authors have investigated the impact of surface conditions on compatibility in commercial aggregated carbon black and silica. Here, dispersion is investigated for a series of nanocomposites produced from commercially modified fumed silica mixed with styrene butadiene rubber, polystyrene, and polydimethylsiloxane. Surface modification includes variation in surface hydroxyl content, siloxane, and silane treatment. Qualitatively, hydroxyl groups on the silica surface are considered incompatible with non-polar polymers, while methyl groups are compatible with oleophilic polymers. X-ray scattering was used to analyze the filler aggregate structure before and after dispersion, and the second virial coefficient was used to quantify nanodispersion. The content of surface moieties was determined from Fourier-transform infrared spectroscopy. It is observed that modified silica can display mean field or specific interactions as reflected by the presence of a correlation peak in x-ray scattering. For systems with specific interactions, a critical ordering concentration is observed related to the free energy change for structuring. A van der Waals model was used to model the second virial coefficient as a function of accumulated strain, yielding the excluded volume and an energetic term. The excluded volume could be predicted from the structural information, and the bound polymer layer was directly related to the surface methyl content, whereas the energetic term was found to synergistically depend on both the methyl and hydroxyl surface content.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Requirements Description of DASSH-F

This report reviews the modeling and simulation capabilities of Argonne National Laboratory’s DASSH code that is used in present reactor analysis activities. These capabilities will be used to establish the set of verification tasks necessary to verify DASSH for use on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The DASSH program is a thermal analysis code designed to rapidly allow a reactor design engineer to obtain flow rates requirements that satisfy peak temperature constraints in the domain. DASSH is a follow-on development to the SE2-ANL software and SUPERENERGY-2 software that it is based upon. DASSH was designed to account for both neutron and gamma heating and is inherently connected to the GAMSOR part of the ARC suite of fast reactor analysis software. SE2-ANL is a developed piece of software from the 1980s while DASSH is a modern implementation with notable improvements in geometry handling. The most important upgrade of DASSH relative to SE2-ANL is that it can analyze multiple time points in a single run where SE2-ANL can only treat a single time point. This allows the user to understand the impact of and search the flow distribution for the entire operational period of a reactor design considering pressure drop, peak coolant and fuel temperatures, and thermal striping. DASSH has three input paths that have to be verified. The first input path builds the geometry and power distribution based upon the DIF3D model but ignores the gamma heating aspects of the problem. The second input path also builds the geometry from the DIF3D model but it takes the neutron and gamma heating distributions from GAMSOR. The third input path is to take the geometry and power distribution directly from user input (i.e. not coupled to DIF3D or GAMSOR). DASSH also has many built in correlations for material properties along with a user defined specification of the fuel, structure, and coolant properties. There are correlations for flow split, mixing, pressure drop, and heat transfer coefficients (subchannel rather than a direct methodology). In total, verification of DASSH will require an extensive testing to cover all possible user features of the software.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1995

Laser Opto-Electronic Correlator for Robotic Vision Automated Pattern Recognition

A compact laser opto-electronic correlator for pattern recognition has been designed, fabricated, and tested. Specifically it is a translation sensitivity adjustable compact optical correlator (TSACOC) utilizing convergent laser beams for the holographic filter. Its properties and performance, including the location of the correlation peak and the effects of lateral and longitudinal displacements for both filters and input images, are systematically analyzed based on the nonparaxial approximation for the reference beam. The theoretical analyses have been verified in experiments. In applying the TSACOC to important practical problems including fingerprint identification, we have found that the tolerance of the system to the input lateral displacement can be conveniently increased by changing a geometric factor of the system. The system can be compactly packaged using the miniature laser diode sources and can be used in space by the National Aeronautics and Space Administration (NASA) and ground commercial applications which include robotic vision, and industrial inspection of automated quality control operations. The personnel of Standard International will work closely with the Jet Propulsion Laboratory (JPL) to transfer the technology to the commercial market. Prototype systems will be fabricated to test the market and perfect the product. Large production will follow after successful results are achieved.

Laser Opto-Electronic↗
NASA NTRS1972

Propellant sidefeed-short pulse discharge thruster studies

The technique of feeding a solid propellant into the discharge from the sides of the discharge was evaluated. The thrust/power ratio could be significantly effected by the included angle of V-shaped propellants and by the electrode length. This result implies that when results are compared at the same specific impulse it is possible to obtain higher thrust efficiencies. In particular, it was found that for a given discharge energy the thrust/power ratio correlated with propellant mass. Increasing the integral simultaneously increases both the gas dynamic and electromagnetic thrust. An analytic expression was formulated for ablated mass which comprehensively describes experimental data in terms of geometry and electrical parameters. The correlation of the product impulse x specific impulse with discharge energy was also described. It is suggested that the reliability of dry energy storage capacitors does not equal the reliability of liquid impregnated units when the comparison is made at the same joules/Kg rating.

Palumbo, D. J.↗
DOE OSTI2020

Correlating Oxidation State and Surface Area to Activity from Operando Studies of Copper CO Electroreduction Catalysts in a Gas-Fed Device

Copyright © 2020 American Chemical Society. The rational design of high-performance electrocatalysts requires a detailed understanding of dynamic changes in catalyst properties, including oxidation states, surface area, and morphology under realistic working conditions. Oxide-derived Cu catalysts exhibit a remarkable selectivity toward multicarbon products for the electrochemical CO reduction reaction (CORR), but the exact role of the oxide remains elusive for explaining the performance enhancements. Here, we used operando X-ray absorption spectroscopy (XAS) coupled with simultaneous measurements of the catalyst activity and selectivity by gas chromatography (GC) to study the relationship between oxidation states of Cu-based catalysts and the activity for ethylene (C2H4) production in a CO gas-fed cell. By utilizing a custom-built XAS cell, oxidation states of Cu catalysts can be probed in device-relevant settings and under high current densities (>80 mA cm-2) for the CORR. By employing an electrochemical oxidation process, we found that the Cu oxidation states and specific ion species do not correlate with C2H4 production. The difference in the CORR activity is also investigated in relation to electrochemical surface area (ECSA) changes. While the hydrogen evolution reaction (HER) activity is positively correlated to the ECSA changes, the increased C2H4 activity is not proportional to the ECSA. Ex situ characterization from microscopic techniques suggests that the changes in the C2H4 activity and selectivity may arise from a morphological transformation that evolves into a more active structure. These comprehensive results give rise to the development of a cell regeneration method that can restore the performance of the Cu catalyst without cell disassembly. Our study establishes a basis for the rational design of highly active electrocatalysts for broad-range reactions in a gas-fed device.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Comprehensive analysis of technical efficiency of business establishments in Santa Barbara County: Evaluation of spatial and aspatial stochastic frontier models

One of the main objectives of land-use and transport models is to accurately describe the organization and composition of the regional economy. However, these models currently lack the integration of competitiveness and performance of the regional economy, which in-turn is dependent on performance and efficiency of business establishments in the region. In this study, we present a framework that integrates the aspects of economic efficiency of business establishments within the context of land-use and transport models. For this purpose, we comprehensively assess the impacts of both internal and external attributes of business establishment on its efficiency. In this process, we specifically focus on aspects of incorporating locational characteristics using two frameworks - (a) measuring locational attributes using link-based multiple centrality indicators (L-MCI) and (b) measuring neighborhood effects of business establishments through spatial proximity that account for co-location and competition. We make use of the stochastic frontier modeling framework to investigate the factors impacting business establishment-level output measured as sales per unit area. Specifically, the aspatial stochastic frontier (ASF) model incorporates L-MCI measures as covariates and the spatial stochastic frontier (SSF) model incorporates neighborhood effects of business establishments through network distance measured using the roadway network for Santa Barbara County.Overall, the empirical results suggest that there exist significant inefficiencies across all business establishment types that are mainly impacted by internal attributes of the business. For example, larger and older business establishments are more efficient than business establishments that are smaller in size and younger in age. Furthermore, the results also suggest that locational impacts are better captured using the ASF specification when compared with SSF specification. For instance, the spatial correlation estimate (from SSF) although statistically significant, is very weak. Thereby, indicating a lack of spatial structure in technical efficiency of businesses manifested in the form of co-location and competition. In contrast, the ASF model captures spatial structure of technical efficiency thoroughly with inclusion of the L-MCI measures. This indicates that L-MCI measures have varying levels of impact on efficiency (positive or negative) depending on its relative location in the region. For instance, retail trade businesses have higher levels of revenue (or sales per unit area) when located along links in a grid-network like structure e.g. downtown areas. Additionally, businesses in professional services have no impact on their efficiency based on the configuration and structure of the regional transportation network. However, results from both specifications indicate that there exist major benefits on efficiency of business establishments from local competition for retail trade and healthcare services.

Ravulaparthy, Srinath↗
DOE OSTI2019

Superparamagnetic CoFe2O4@Au with high specific absorption rate and intrinsic loss power for magnetic fluid hyperthermia applications

Synthesis of CoFe2O4 NPs surface modified with gold (Au) by a chemical method is presented. Induction heating properties of MNPs are investigated and correlated with magneto-structural properties. Specific absorption rate (SAR) and intrinsic loss power (ILP) calculated for these NPs within the human tolerable range of frequency and amplitude suggests their potential in magnetic particle hyperthermia therapy.

synthesis, magnetic, hyperthermia↗
DOE OSTI2024

Unraveling the conundrum of electronic leakage in protonic ceramic cells: Operation-specific insights and rational design strategies

Electronic conduction through proton-conducting electrolytes significantly impairs the efficiency of protonic ceramic cells (PCCs). Here, in this study, we explore the electron and ion mixed transport properties of four common protonic ceramics, BaZr 0.8 Y 0.2 O 3-δ (BZY82), BaZr 0.7 Ce 0.2 Y 0.1 O 3-δ (BZCY721), BaZr 04 Ce 0.4 Y 0.1 Yb 0.1 O 3-δ (BZCYYb4411), and BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3-δ (BZCYYb1711). It marks the first instance of investigating these properties under operation-specific scenarios: fuel side of electrolysis cell, air side of electrolysis cell, fuel side of fuel cell, and air side of the fuel cell. BZCYYb1711 exhibits the highest ionic conductivity, but two to three times higher electronic leakage when exposed to oxygen-containing environments than the others. BZY82 exhibits approximately two times higher electronic leakage in a hydrogen-containing environment. BZCY721 demonstrates excellent ion transport numbers (~0.95) across these four operating conditions. BZCYYb4411 behaves quite similarly to BZCY721. The most challenging operating environment for all candidates is the air side of fuel cell mode. This mode leads to a high initial electronic leakage, followed by a significant increase with polarization. The probable cause for this behavior is a H 2 -free, polarization-induced reduction that leads to the formation of V$^•_O$. The electron small polaron associated with V$^•_O$ is released by the electrical field due to the Poole-Frenkel effect. ZnO and NiO sintering aids are found to be detrimental to the ionic conductivity of the electrolytes. In particular, NiO substantially lowers the ion transport number. The correlation of the operation-specific electronic leakage to full cells is discussed. It is suggested that a rational PCC design should synergistically couple BZCYYb1711 at fuel side with BZCY4411 at air side to deliver a well-balanced performance and faradaic efficiency simultaneously, and the high temperature sintering process with a NiO fuel electrode should be shortened or replaced by ultra-fast sintering techniques or using a fuel electrode scaffold-infiltration fabrication strategy.

42 ENGINEERING↗
NASA NTRS2002

Correlations among the Optical Properties of Cirrus-Cloud Particles: Microphysical Interpretation

Cirrus measurements obtained with a ground-based polarization Raman lidar at 67.9 deg N in January 1997 reveal a strong positive correlation between the particle optical properties, specifically depolarization ratio delta(sub par) and extinction- to-backscatter (lidar) ratio S, for delta(sub par) less than approximately 40%, and an anti-correlation for delta(sub par) greater than approximately 40%. Over the length of the measurements the particle properties vary systematically. Initially, delta (sub par) approximately equals 60% and S approximately equals 10sr are observed. Then, with decreasing delta(sub par), S first increases to approximately 27sr (delta(sub par) approximately equals 40%) before decreasing to values around 10sr again (delta(sub par) approximately equals 20%). The analysis of lidar humidity and radiosonde temperature data shows that the measured optical properties stem from scattering by dry solid ice particles, while scattering by supercooled droplets, or by wetted or subliming ice particles can be excluded. For the microphysical interpretation of the lidar measurements, ray-tracing computations of particle scattering properties have been used. The comparison with the theoretical data suggests that the observed cirrus data can be interpreted in terms of size, shape, and, under the assumption that the lidar measurements of consecutive cloud segments can be mapped on the temporal development of a single cloud parcel moving along its trajectory, growth of the cirrus particles: Near the cloud top in the early stage of cirrus development, light scattering by nearly isometric particles that have the optical characteristics of hexagonal columns (short, column-like particles) is dominant. Over time the ice particles grow, and as the cloud base height extends to lower altitudes characterized by warmer temperatures they become morphologically diverse. For large S and depolarization values of approximately 40%, the scattering contributions of column- and plate-like particles are roughly the same. In the lower ranges of the cirrus clouds, light scattering is predominantly by plate-like ice particles. This interpretation assumes random orientation of the cirrus particles. Simulations with a simple model suggest, however, that the positive correlation between S and delta(sub par) which is observed for depolarization ratios less than 40% mainly at low cloud altitudes, can be alternatively explained by horizontal alignment of a fraction of the cirrus particle population.

Reichardt, J.↗
NASA NTRS2001

Microphysical Interpretation of Cirrus Measurements With Lidar

Cirrus measurements obtained with a ground-based polarization Raman lidar at 67.9 N in January 1997 reveal a strong correlation between the particle optical properties, specifically depolarization ratio delta and extinct ion-to-backscatter ratio S, for ambient cloud temperatures above approximately -45 C (delta less than approximately 40%), and an anti-correlation for colder temperatures (delta greater than approximately 40%). Over the length of the measurements (4-7.5 hours) the particle properties vary systematically: Initially, delta approximately equal to 60% and S approximately equal to 10sr are observed. Then, with decreasing delta, S first increases to approximately 27 sr(delta approximately equal to 40%) before decreasing to values around 10 sr again (delta approximately equal to 20%). The particle optical properties distinctly depend on the ambient temperature. For the microphysical analysis of the lidar observations. ray-tracing computations of particle scattering properties and a size-distribution resolving cirrus model with explicit microphysics have been used. The theoretical studies show that the optical properties and their temporal evolution can be interpreted in terms of size, shape, and growth of the cirrus particles: Near the cloud top in the early stage of the cirrus development, light scattering by small hexagonal columns with aspect ratios close to one is dominant. Over time the cloud base height extends to lower altitudes with warmer temperatures, the ice particles grow and get morphologically diverse (the scattering contributions of hexagonal columns and plates are roughly the same for large S and depolarization values of approximately 40%). In the lower ranges of the cirrus clouds, light scattering is predominantly by plate-like or complex ice particles. Mid-latitude cirrus data measured with the same instrument at 53.4 N between 1994 and 1996 follow closely the correlation between delta and S found in the warmer regions of the Arctic cirrus clouds (delta less than approximately 40%). Cirrus clouds with higher depolarization ratios are rarely observed, even for very cold ambient temperatures. Atmospheric parameters other than temperature, e.g., the availability of water vapor, are also important for the growth and the morphology of cirrus particles.

Reichardt, Jens↗
NASA NTRS2016

A Low-Power Correlator ASIC for Arrays with Many Antennas

We report the design of a new application-specific integrated circuit (ASIC) for use in radio telescope correlators. It supports the construction of correlators for an arbitrarily large number of signals. The ASIC uses an intrinsically low-power architecture along with design techniques and a process that together result in unprecedentedly low power consumption. The design is flexible in that it can support telescopes with almost any number of antennas N. It is intended for use in an "FX" correlator, where a uniform filter bank breaks each signal into separate frequency channels prior to correlation.

radio telescopes↗
DOE OSTI2026

Connecting ambient toxicity testing with community-level responses of benthic macroinvertebrates in an impacted stream in East Tennessee, USA

Single-species laboratory toxicity tests are a standard tool for evaluating potential impairment of freshwater systems; however, it remains uncertain how well they reflect community-level impacts in natural environments. This study presents a multi-decadal dataset (2005-2025) pairing ambient toxicity testing with macroinvertebrate surveys along Bear Creek on the Oak Ridge Reservation (Tennessee, USA) downstream of an industrial complex to assess the ability of laboratory tests using stream water to track community-level effects. Biannual three-brood Ceriodaphnia dubia tests from 2005 to 2025 often showed reduced reproduction at select sites. Integrating water quality data showed strong positive correlations between sublethal toxicity and specific conductance. Macroinvertebrate diversity metrics, family-level occurrence, and densities were also associated with conductance and contemporaneous C. dubia responses. Laboratory-measured sublethal toxicity was a stronger indicator of macroinvertebrate change than conductance alone, although responses varied among sites and seasons. At the site with the highest diversity, densities and richness of Ephemeroptera, Plecoptera, Trichoptera (EPT) and non-EPT taxa were significantly related to C. dubia reproduction, with greater toxicity corresponding to lower diversity. At the family level, some pollution-tolerant taxa were more prevalent and at higher densities during periods of sublethal toxicity, while some sensitive families were absent or reduced. These patterns may reflect site-specific mixtures of acute and chronic stressors, with laboratory toxicity tests more effectively capturing short-term impacts. Overall, these multi-decadal observations suggest that laboratory toxicity tests can help track water-quality changes linked to shifts in aquatic community diversity, despite variable responses reflecting the complexity of dynamic stressors in this impacted freshwater system.

Stevenson, Louise [ORNL] (ORCID:0000000349679897)↗
DOE OSTI2018

A kernel machine method for detecting higher order interactions in multimodal datasets: Application to schizophrenia

Technological advances are enabling us to collect multimodal datasets at an increasing depth and resolution while with decreasing labors. Understanding complex interactions among multimodal datasets, however, is challenging. Here in this study, we tested the interaction effect of multimodal datasets using a novel method called the kernel machine for detecting higher order interactions among biologically relevant multimodal data. Using a semiparametric method on a reproducing kernel Hilbert space, we formulated the proposed method as a standard mixed-effects linear model and derived a score-based variance component statistic to test higher order interactions between multimodal datasets. The method was evaluated using extensive numerical simulation and real data from the Mind Clinical Imaging Consortium with both schizophrenia patients and healthy controls. Our method identified 13-triplets that included 6 gene-derived SNPs, 10 ROIs, and 6 gene-specific DNA methylations that are correlated with the changes in hippocampal volume, suggesting that these triplets may be important for explaining schizophrenia-related neurodegeneration. The performance of the proposed method is compared with the following methods: test based on only first and first few principal components followed by multiple regression, and full principal component analysis regression, and the sequence kernel association test. With strong evidence (p-value ≤0.000001), the triplet (MAGI2, CRBLCrus1.L, FBXO28) is a significant biomarker for schizophrenia patients. This novel method can be applicable to the study of other disease processes, where multimodal data analysis is a common task.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Quantifying heterogeneous deformation in grain boundary regions on shock loaded tantalum using spherical and sharp tip nanoindentation

Grain boundaries play an important role in the overall mechanical performance of metals and alloys; however, isolating the effects of individual grain boundaries remains rather challenging experimentally. In this work, wire-feed, electron beam additively manufactured tantalum is studied under shock loading conditions generating incipient spall damage. Three grain boundaries aligned parallel to the shock direction were isolated inside a single sample. Postmortem metallography showed voids preferentially appeared on two of the three grain boundaries which had high misorientation angles > 30° compared to the third grain boundary with a relatively lower misorientation angle < 10°. Nanoindentation in grain boundary regions for both pyramidal and spherical tips showed characteristically different strain hardening trends for each grain boundary. Significant local strain hardening is present on both sides of one high angle grain boundary, while strain softening is captured at the other high angle grain boundary. A negligible trend of either hardening or softening is shown in the vicinity of the single low angle grain boundary. As a result, this leads to the conclusion that the trend of strain hardening/softening in grain boundary regions is not monotonically correlated to the susceptibility of specific grain boundaries to an increased propensity for void damage.

36 MATERIALS SCIENCE↗
DOE OSTI2025

First-Principles Simulations Correlating X-ray Absorption Spectroscopy Features to Point Defects in h -BN

Hexagonal boron nitride (h-BN) is a promising material for a range of emerging applications in electronics, quantum information technology, and energy storage. Soft X-ray absorption spectroscopy (XAS) is powerful to reveal atomic details of BN, especially in the presence of defects. However, correlating XAS spectral features with specific defect types remains elusive. In this Letter, we report B K-edge XAS measurements of sputter-deposited turbostratic h-BN films and use a combination of first-principles spectroscopic simulations and analysis of detailed electronic structure and local charge transfer characteristics to elucidate their unique spectroscopic features. Our results show that the two main defect-related peaks, between the main π* resonances of h-BN and B2O3, as typically observed in BN films deposited by energetic condensation or bombarded with energetic ions, are associated with electronic states of H-passivated B atoms bonded to one and two oxygen impurity atoms, respectively. These conclusions hold significant implications for applications relying on defect-mediated properties of h-BN.

chemical structure↗
DOE OSTI2021

Formic Acid Electrooxidation on Pt or Pd Monolayer on Transition-Metal Single Crystals: A First-Principles Structure Sensitivity Analysis

Here, we present a density functional theory analysis of trends for the electrooxidation of formic acid (FAO) on a single Pt or Pd monolayer supported on the close-packed (111) facet of transition metals (Pt*/M or Pd*/M): Au, Ag, Cu, Pt, Pd, Ir, and Rh, the close-packed (0001) facet of Os, Ru, and Re, and the open (100) facet of Au, Ag, Pt, Pd, Ir, and Rh. We show that the deposition of Pt or Pd pseudomorphic monolayers on these single crystals modifies the electronic structure of the Pt or Pd monolayer. Specifically, we found a direct correlation between the d-band center of the Pt and Pd monolayer and the free energy of adsorbed CO*, the latter being a reactivity descriptor for FAO. Together with the free energy of adsorbed OH* as a second reactivity descriptor, we depict the thermochemistry of the reaction network as phase diagrams showing calculated free energies across regions of rate-determining steps. We found that FAO is structure-sensitive on most surfaces studied. Pt*/Au(111) is predicted to be the most active among all Pt*/M(111/0001) surfaces studied, despite binding CO*, the strongest among the close-packed facets. This is the case because of its superiority in activating water to OH*, thus removing CO* at lower potentials than other surfaces. On similar grounds, Pt*/Pd(100), Pd*/Re(0001), Pd*/Au(111), Pd*/Ag(111), and Pd*/Pt(111) are predicted to show higher FAO activity than the corresponding monometallic Pt and Pd surfaces.

(100) facets↗
DOE OSTI2023

Operando Mechanistic Studies of CO 2 Hydrogenation by Ruthenium Complexes Using High-Pressure NMR Spectroscopy

As a result of increased energy demands, the ability to both reduce carbon dioxide with dihydrogen to formate and conduct the reverse reaction with the same catalyst is of interest as a method for potential fuel generation and use. Ruthenium bis(diphosphine) complexes with and without pendant amines were reacted with mixtures of CO 2 /H 2 gases in the presence of added base to catalytically yield formate; when the base was triethylamine, the reaction was found to be reversible. The reactions were monitored using high-pressure operando 1 H and 31 P{ 1 H} NMR spectroscopy at 18 °C in THF under 40 atm of a 1:1 mixture of H 2 and CO 2 . The rate of production of formate was correlated with the observation of specific organometallic species by NMR spectroscopy under catalytic conditions, including a hydrido–dihydrogen complex. From this operando study, a mechanism is proposed with two competing catalytic cycles for which the predominant cycle is dependent on which base and catalyst are used. Finally, the role of the base is shown to be vital for both catalytic rate and reversibility of the chemical transformation, indicating base selection should be carefully considered.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗