Photochemistry

Schalk, Oliver; Tapavicza, Enrico; Burda, Professor Clemens; Smina, Chemistry Major Nicole; Borrelli, Chemistry Major William

doi:10.1021/acs.infocus.7e4009

Cited by 3 publications

(4 citation statements)

References 287 publications

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“…This organic matter can scavenge photogenerated VB h  , CB e  and radicals, and occlude ROS generation sites upon adsorption. Additionally, quantum efficiency of photocatalysis can be reduced due to absorption of light by organic compounds, when the light-quantum has too low energy to cause dissociation of chemical bonds, and its absorption causes the solution to only heat up [194]. The fact that humic acids scavenge • OH radicals and its precursor VB h  , desired when photocatalysis is used for degradation of humic acids, causes a decrease in the effectiveness of photocatalysis when its purpose is to degrade other pollutants [181].…”

Section: Interference Of Redox Processes By Soil Organic Matter Impac...mentioning

confidence: 99%

Perspectives for Photocatalytic Decomposition of Environmental Pollutants and Pathogens on Photoactive Particles of Soil Minerals

Sosnowska,

Hęclik,

Kisała

et al. 2024

Preprint

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The literature shows that both in laboratory and in industrial conditions, photocatalytic oxidation method copes quite well with the degradation of the most organic substances, including environmental toxins and molecular components of pathogenic microorganisms. However, the effective utilization of photocatalytic processes for environmental decontamination and disinfection require significant technological advancement both in the area of semiconductor material synthesis and its application. Here we focused on the presence and ‘photocatalytic capability‘ of photocatalysts among soil minerals, and their potential contribution to the environmental decontamination in vitro and in vivo. (The issue is sketched from the perspective of chemists and environmental scientist.) Reactions caused by sunlight on the soil surface are involved in its normal redox activity. It appears that some of them may take part in the soil decontamination. However, their importance for decontamination in vivo cannot be overstated due to diversity of soils on the Earth caused by the environmental conditions, such as climate, parent material, relief, vegetation etc. The solar-light induced reactions are just a part of extremely complicated processes dependent on a plethora of environmental determinates. Such multiplicity of affecting factors, which we tried to sketch from the perspective of chemists and environmental scientist, makes us rather sceptical about the effectiveness of the photocatalytic processes in vivo. On the other hand, there is a huge potential of the soils as the alternative source of useful photocatalytic materials of unique properties

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Section: Interference Of Redox Processes By Soil Organic Matter Impac...mentioning

confidence: 99%

Perspectives for Photocatalytic Decomposition of Environmental Pollutants and Pathogens on Photoactive Particles of Soil Minerals

Sosnowska,

Hęclik,

Kisała

et al. 2024

Preprint

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“…The calculation of the static CD spectrum of Pro and Pre was done using an average of 200 and 500 snapshot geometries, respectively; the lowest 10 excitation energies and rotatory strengths were used. For Pro, BOMD was used to generate the ensemble of structures, whereas for Pre, enhanced sampling using REMD was applied, as described elsewhere. ,,, For the static spectra, Gaussian line broadening was applied with a LW of 0.1 eV, yielding CD-spectra of the individual snapshot geometries. For the TRCD spectrum, a LW of 0.5 eV was applied to convert rotatory strengths to Δϵ, for both the static spectrum used as reference and the instantaneous spectrum.…”

Section: Computational Detailsmentioning

confidence: 99%

“…Ultrafast time-resolved (TR) pump–probe spectroscopy offers the possibility to monitor chemical reactions, such as the making and breaking of bonds, electron transfer, and conformational changes on the femto- to picosecond time scale . A vast number of different techniques, including TR transient absorption (TA) and TR photoelectron ionization, have been developed in the past decades. , Conformational changes in chiral molecules can in principal be detected by circular dichroism (CD) and optical rotation spectroscopy. CD spectroscopy measures the difference in absorption of left- and right-circular polarized light Δϵ = ϵ L – ϵ R .…”

mentioning

confidence: 99%

“… 1 A vast number of different techniques, including TR transient absorption (TA) and TR photoelectron ionization, have been developed in the past decades. 2 , 3 Conformational changes in chiral molecules can in principal be detected by circular dichroism (CD) and optical rotation spectroscopy. CD spectroscopy measures the difference in absorption of left- and right-circular polarized light Δϵ = ϵ L – ϵ R .…”

mentioning

confidence: 99%

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Ab Initio Simulation of the Ultrafast Circular Dichroism Spectrum of Provitamin D Ring-Opening

Tapavicza

Reutershan

Thompson

2023

J. Phys. Chem. Lett.

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We present a method to simulate ultrafast pump–probe time-resolved circular dichroism (TRCD) spectra based on time-dependent density functional theory trajectory surface hopping. The method is applied to simulate the TRCD spectrum along the photoinduced ring-opening of provitamin D. Simulations reveal that the initial decay of the signal is due to excited state relaxation, forming the rotationally flexible previtamin D. We further show that oscillations in the experimental TRCD spectrum arise from isomerizations between previtamin D rotamers with different chirality, which are associated with the helical conformation of the triene unit. We give a detailed description of the formation dynamics of different rotamers, playing a key role in the natural regulation of vitamin D photosynthesis. Going beyond the sole extraction of decay rates, simulations greatly increase the amount of information that can be retrieved from ultrafast TRCD, making it a sensitive tool to unravel details in the subpicosecond dynamics of photoinduced chirality changes.

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Perspectives for Photocatalytic Decomposition of Environmental Pollutants on Photoactive Particles of Soil Minerals

Sosnowska,

Hęclik,

Kisała

et al. 2024

Materials

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The literature shows that both in laboratory and in industrial conditions, the photocatalytic oxidation method copes quite well with degradation of most environmental toxins and pathogenic microorganisms. However, the effective utilization of photocatalytic processes for environmental decontamination and disinfection requires significant technological advancement in both the area of semiconductor material synthesis and its application. Here, we focused on the presence and “photocatalytic capability” of photocatalysts among soil minerals and their potential contributions to the environmental decontamination in vitro and in vivo. Reactions caused by sunlight on the soil surface are involved in its normal redox activity, taking part also in the soil decontamination. However, their importance for decontamination in vivo cannot be overstated, due to the diversity of soils on the Earth, which is caused by the environmental conditions, such as climate, parent material, relief, vegetation, etc. The sunlight-induced reactions are just a part of complicated soil chemistry processes dependent on a plethora of environmental determinates. The multiplicity of affecting factors, which we tried to sketch from the perspective of chemists and environmental scientists, makes us rather skeptical about the effectiveness of the photocatalytic decontamination in vivo. On the other hand, there is a huge potential of the soils as the alternative and probably cheaper source of useful photocatalytic materials of unique properties. In our opinion, establishing collaboration between experts from different disciplines is the most crucial opportunity, as well as a challenge, for the advancement of photocatalysis.

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Photochemistry

Cited by 3 publications

References 287 publications

Perspectives for Photocatalytic Decomposition of Environmental Pollutants and Pathogens on Photoactive Particles of Soil Minerals

Perspectives for Photocatalytic Decomposition of Environmental Pollutants and Pathogens on Photoactive Particles of Soil Minerals

Ab Initio Simulation of the Ultrafast Circular Dichroism Spectrum of Provitamin D Ring-Opening

Perspectives for Photocatalytic Decomposition of Environmental Pollutants on Photoactive Particles of Soil Minerals

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