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Results for “photoreactive compounds”

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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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Tuning the fluid wetting dynamics on gold microstructures using photoactive compounds

This work demonstrates how photoactive compounds can be used to tune the surface chemistry, surface free energy, and the wetting velocity of fluids on Spiropyran functionalized surfaces with different surface microstructures. Evidence of this photowetting effect is based on data showing: (1) the cyclic changes in the static, advancing, and receding contact angles $\theta$ CA for multiple UV$\rightleftarrows$vis photoswitching cycles with both smooth and microstructured surfaces and (2) the changes in the fluid wicking velocity (via UV$\rightleftarrows$vis photoswitching) on different Spiropyran functionalized hemiwicking surfaces. X-ray photoelectron spectroscopy is used to determine the efficiency of photoswitching caused by the quality of the Spiropyran functionalization. Reversible photoisomerization of Spiropyran generates a gradient in surface free energy, resulting in a similar change in contact angle ($\theta$ CA ) in the photoswitchable surfaces. In conclusion, by incorporating these changes into the Owens-Wendt and Van Oss surface energy models, the energy of smooth Au surfaces can also be predicted for both UV and visible light irradiations, where reversible contact angle variations of $\Delta$$\theta$ CA ≈ 5–10° are achieved with both water and water-ethanol mixtures due to the conversion of SP to merocyanine, which corresponds to a total free energy change of ~13% on the photoswitchable surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Chemical Differences between Phenolic Secondary Organic Aerosol Formed through Gas-Phase and Aqueous-Phase Reactions

Phenolic compounds, which are significant emissions from biomass burning (BB), undergo rapid photochemical reactions in both gas and aqueous phases to form secondary organic aerosol, namely, gasSOA and aqSOA, respectively. The formation of gasSOA and aqSOA involves different reaction mechanisms, leading to different product distributions. In this study, we investigate the gaseous and aqueous reactions of guaiacol a representative BB phenol to elucidate the compositional differences between phenolic aqSOA and gasSOA. Aqueous-phase reactions of guaiacol produce higher SOA yields than gas-phase reactions (e.g., roughly 60 vs 30% at one half-life of guaiacol). These aqueous reactions involve more complex reaction mechanisms and exhibit a more gradual SOA evolution than their gaseous counterparts. Initially, gasSOA forms with high oxidation levels (O/C > 0.82), while aqSOA starts with lower O/C (0.55–0.75). However, prolonged aqueous-phase reactions substantially increase the oxidation state of aqSOA, making its bulk chemical composition closer to that of gasSOA. Additionally, aqueous reactions form a greater abundance of oligomers and high-molecular-weight compounds, alongside a more sustained production of carboxylic acids. AMS spectral signatures representative of phenolic gasSOA have been identified, which, together with tracer ions of aqSOA, can aid in the interpretation of field observation data on aerosol aging within BB smoke. The notable chemical differences between phenolic gasSOA and aqSOA highlighted in this study also underscore the importance of accurately representing both pathways in atmospheric models to better predict the aerosol properties and their environmental impacts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Systematic Study of Solid-State U(VI) Photoreactivity: Long-Lived Radicalization and Electron Transfer in Uranyl Tetrachloride

Reported are the syntheses, structural characterizations and luminescence properties of three novel [UO 2 Cl 4 ] 2- bearing compounds containing substituted 1,1’-dialkyl-4,4’-bipyridinum dications (i.e. viologens). These compounds undergo photoinduced luminescence quenching upon exposure to UV radiation. Further, this reactivity is concurrent with two phenomena: radicalization of the uranyl tetrachloride anion and photoelectron transfer to the viologen which constitutes the formal transfer of one electron from the [UO 2 Cl 4 ] 2- to the viologen species. This behavior is elucidated using electron paramagnetic resonance (EPR) spectroscopy and further probed through a series of characterization and computational techniques including Rehm-Weller analysis, time-dependent density functional theory (TD-DFT), and density of states (DOS). This work provides a systematic study of the photoreactivity of the uranyl unit in the solid state, an under-described aspect of fundamental uranyl chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Models for protocellular photophosphorylation

Several photoreactions for transducing light energy have been analyzed for their relevance as models for protocellular photophosphorylation. Inorganic ions and compounds could have played a role in protocellular photophosphorylation. Organic catalysts may have been the next significant agents used by protocells for photophosphorylation. Membranous photophosphorylation probably became the most recent type of photoenergy transduction to be acquired by protocells; it is still used by modern cells although components of the other types of phosphorylation are found in present day cells. Recorded yields of energy-rich phosphates from the model reactions discussed are small. Arguments are advanced that such yields could have been sufficient to have fueled protocellular metabolism, which was probably very slow compared to modern cellular metabolism. Future prospects for research in this area are discussed.

Bahn, P. R.↗
NASA NTRS2003

Understanding Organics in Meteorites and the Pre-Biotic Environment

(1) Refinement of the analytic capabilities of our experiment via characterization of molecule-specific response and the effects upon analysis of the type of sample under investigation; (2) Measurement of polycyclic aromatic hydrocarbons (PAHs) with high sensitivity and spatial resolution within extraterrestrial samples; (3) Investigation of the interstellar reactions of PAHs via the analysis of species formed in systems modeling dust grains and ices; (4) Investigations into the potential role of PAHs in prebiotic and early biotic chemistry via photoreactions of PAHs under simulated prebiotic Earth conditions. To meet these objectives, we use microprobe laser-desorption, laser-ionization mass spectrometry (MuL(exp 2)MS), which is a sensitive, selective, and spatially resolved technique for detection of aromatic compounds. Appendix A presents a description of the MuL(exp 2)MS technique. The initial grant proposal was for a three-year funding period, while the award was given for a one-year interim period. Because of this change in time period, emphasis was shifted from the first research goal, which was more development-oriented, in order to focus more on the other analysis-oriented goals. The progress made on each of the four research areas is given below.

Zare, Richard N.↗
NASA NTRS1977

Bioorganic chemistry and the emergence of the first cell

It is suggested that the best way to study the evolution of cells from primordial compounds is to attempt to assemble a protocell, i.e., a primordial cell. Simulation of processes that occurred in archaic times would require inductive reasoning and constructionist techniques rather than the analytic approach in which cell components are separated and studied in isolation. Advantages to primordial life which would result from protocell formation are surveyed, and the proteinoid microsphere, a model of the protocell, is discussed. A photoreactive proteinoid is considered.

Fox, S. W.↗
NASA NTRS2007

NASA's Potential Contributions for Using Solar Ultraviolet Radiation in Conjunction with Photocatalysis for Urban Air Pollution Mitigation

More than 75 percent of the U.S. population lives in urban communities where people are exposed to levels of smog or pollution that exceed the EPA (U.S. Environmental Protection Agency) safety standards. Urban air quality presents a unique problem because of a number of complex variables, including traffic congestion, energy production, and energy consumption activities, all of which can contribute to and affect air pollution and air quality in this environment. In environmental engineering, photocatalysis is an area of research whose potential for environmental clean-up is rapidly developing popularity and success. Photocatalysis, a natural chemical process, is the acceleration of a photoreaction in the presence of a catalyst. Photocatalytic agents are activated when exposed to near UV (ultraviolet) light (320-400 nm) and water. In recent years, surfaces coated with photocatalytic materials have been extensively studied because pollutants on these surfaces will degrade when the surfaces are exposed to near UV light. Building materials, such as tiles, cement, glass, and aluminum sidings, can be coated with a thin film of a photocatalyst. These coated materials can then break down organic molecules, like air pollutants and smog precursors, into environmentally friendly compounds. These surfaces also exhibit a high affinity for water when exposed to UV light. Therefore, not only are the pollutants decomposed, but this superhydrophilic nature makes the surface self-cleaning, which helps to further increase the degradation rate by allowing rain and/or water to wash byproducts away. According to the Clean Air Act, each individual state is responsible for implementing prevention and regulatory programs to control air pollution. To operate an air quality program, states must adopt and/or develop a plan and obtain approval from the EPA. Federal approval provides a means for the EPA to maintain consistency among different state programs and ensures that they comply with the requirements of the Clean Air Act.

Ryan, robert E.↗
DOE OSTI2025

Accessing Transient Isomers in the Photoreaction of Metastable‐State Photoacid

The photoreaction of a metastable‐state photoacid (mPAH) generally involves multiple isomers with various connected pathways of photoinduced structural changes during a single reaction cycle. However, only a limited number of isomers have been identified experimentally so far owing to the inherent complexity in combination with the presence of various competing electronic and vibrational processes, as well as the constantly varying interactions between mPAH isomers and solvent molecules. Here, in this work, an optical spectroscopic study on a benzimidazole‐based mPAH, a novel photoacid using benzimidazole as the structural moiety with the active proton, is reported. Through measurements of linear absorption and steady‐state fluorescence in neat solvents and binary mixtures, a pronounced effect of neat water and its binary mixture with glycerol is discovered on the photoreaction of this benzimidazole‐mPAH, manifested by the remarkably distinct spectral responses to irradiation from that observed for an organic solution under identical conditions. Measurements of time‐ and frequency‐resolved fluorescence emission further enable to access transient isomers and the associated spectral characteristics from other competing electronic excited‐state relaxation processes. Spectral deconvolution analysis and time‐dependent density functional theory calculations are applied to separate distinct spectral components and access their potential origin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗