UV direct photolysis of amisulbrom in buffer solutions: Kinetics, quantum yield, products identification, DFT, mechanism and predict toxicity

Pang, Nannan; Zhao, Han; Hu, Jiye

doi:10.1016/j.jece.2021.106594

Cited by 12 publications

(2 citation statements)

References 41 publications

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“…Halogenation was much more prevalent (20% compared to 9% in discovery chemistry), as were cycloadditions (10% compared with 4% in discovery chemistry). Interestingly, 10% of the transformations were isomerization − reactions, which were not reported at all in discovery chemistry. The reason for this is photoisomerizations are traditionally used to target specific chemical entities; examples of phototoisomerization include the industrial manufacture of vitamin A acetate, synthesis of trans -cyclooctenes used as molecular probes in live cells, and the generation of photodegradation markers of API intermediates or API.…”

Section: Resultsmentioning

confidence: 99%

Photochemistry in Pharmaceutical Development: A Survey of Strategies and Approaches to Industry-wide Implementation

Moschetta,

Cook,

Edwards

et al. 2024

Org. Process Res. Dev.

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We present and analyze the results of a pharmaceutical industry-wide survey of the strategies and approaches that companies have for implementing photochemical reactions in discovery chemistry, process development, and commercial manufacturing. The survey questions encompass the types of photochemical reactions that pharmaceutical companies pursue and why, the types of reactors (batch and flow) used, how they are characterized for photochemistry, scale-up of photochemical reactions, and how companies prioritize resources for developing photochemical reactions, among other topics. The survey focuses on many of these topics from the perspectives of discovery chemists and process scientists to highlight similarities and differences between their approaches on the specific photochemical transformations and materials of construction used in photochemical reactors. The survey results clearly demonstrate that photochemistry is a viable synthetic strategy for producing active pharmaceutical ingredients (APIs), from discovery all the way to commercialization. While photochemistry is more prevalent for discovery and early stage process development, the survey results indicate that more companies are leveraging photochemistry in successful scale-ups in later stages of process development, often using flow chemistry, and have significant knowledge resulting from these experiences. Nevertheless, there still are gaps to adopting photochemical reactions across stages of development and companies have very limited experience discussing photochemistry with regulatory agencies. Overall, the survey results demonstrate that photochemistry offers considerable benefits for synthesizing APIs and developing API processes, such as greenness and sustainability, shortening synthetic routes, and potential for improved product quality.

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Section: Resultsmentioning

confidence: 99%

Photochemistry in Pharmaceutical Development: A Survey of Strategies and Approaches to Industry-wide Implementation

Moschetta,

Cook,

Edwards

et al. 2024

Org. Process Res. Dev.

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“…Standard periodic boundary conditions have been applied. The PRO, ACE, ASP, and SMZ molecules have been optimized by the DFT/B3LYP/6-311++G (2d, 2p) level of theory. , All of the substrates were generated by a periodic slab with a sufficient vacuum region of 50 Å thickness above the D6 (0, 0, −1), D6/TiO 2 /MoS 2 /NiCo-NC (0, 0, −1), and TiO 2 /MoS 2 /NiCo-NC (0, 0, −1) surfaces, respectively. The starting configuration of each run has been created by randomly placing PRO, ACE, ASP, SMZ, hexane, dodecane, and C 16 H 34 molecules above the respective adsorbents D6 (0, 0, −1), D6/TiO 2 /MoS 2 /NiCo-NC (0, 0, −1), and TiO 2 /MoS 2 /NiCo-NC (0, 0, −1).…”

Section: Methodsmentioning

confidence: 99%

Photocatalytic and Superhydrophobic Nanoporous Membranes for Emulsion Separation and Removal of Pesticides and Pharmaceutical Products

Chen,

Han,

Guo

et al. 2024

ACS Appl. Nano Mater.

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Metal organic framework (MOF)-derivatives have a larger specific surface area, higher porosity, tunable pore size, higher conductivity, good stability, more exposed active species, etc., but few literature are reported about their application potential in micropollutant separation and removal. In view of this, a robust MOF derivative-based photocatalytic superhydrophobic membrane (D6/ TiO 2 /MoS 2 /NiCo-NC/PVDF) was successfully fabricated for the first time through solvothermal synthesis and chemical modification, combined with a negative pressure-assisted loading approach. (1) The MoS 2 -doping strategy effectively avoided the collapse and coarsening of cauliflower-like MOFs during the calcination phase and simultaneously ensured the uniform distribution of metal particles in MOF-derived carbons. (2) The synergistic catalysis of the NiCo-MOF derivative, MoS 2 , and TiO 2 enhanced the transfer efficiency of electrons and free radicals, achieving efficient in situ degradation of pesticides and pharmaceutical and personal care products. (3) The introduction of sodium alginate greatly improved the adhesion between the coating and polyvinylidene fluoride (PVDF) membrane and simultaneously enhanced the growth of MOFs through complexation. (4) The cauliflower-like MOF-derived carbon skeleton with higher surface areas and micronanoporosity combined with a heterogeneous MoS 2 structure provided a large specific surface area and enough adsorption sites for various pollutants. High thermal calcination treatment greatly enhanced MOF growth rate, thus resulting in a flaky structure with high regularity and a large specific area. ( 5) The ultralow surface energy of interlaced siloxane molecules endowed the hybrid membrane with robust superhydrophobicity and superoleophilicity, always maintaining superhydrophobicity after long-time photodegradation. The final membrane achieved continuous emulsion separation and a photocatalytic self-cleaning property. The separation efficiency of the hybrid membrane for emulsions was still up to 97% after reuse for 120 cycles, and it could degrade 86.5% PRO, 90.1% ACE, 92.1% ASP, and 94.3% SMZ, respectively, with the initial concentration of 10 mg/L. The driving forces for oil−water separation and decontamination of the D6/TiO 2 /MoS 2 /NiCo-NC/PVDF membrane mainly involved the grasping forces of dodecamethylcyclohexasiloxane, capillary force of inner pores, electrostatic interaction, hydrogen bond interaction, partial p-π conjugation, van der Waals force, and lipophilicity.

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Propiconazole degradation and its toxicity removal during UV/H2O2 and UV photolysis processes

et al. 2022

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UV direct photolysis of amisulbrom in buffer solutions: Kinetics, quantum yield, products identification, DFT, mechanism and predict toxicity

Cited by 12 publications

References 41 publications

Photochemistry in Pharmaceutical Development: A Survey of Strategies and Approaches to Industry-wide Implementation

Photochemistry in Pharmaceutical Development: A Survey of Strategies and Approaches to Industry-wide Implementation

Photocatalytic and Superhydrophobic Nanoporous Membranes for Emulsion Separation and Removal of Pesticides and Pharmaceutical Products

Propiconazole degradation and its toxicity removal during UV/H2O2 and UV photolysis processes

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