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Keywords = 4-dimethylamino-4′-nitrostilbene (DANS)

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20 pages, 6237 KiB  
Article
Microplastics’ Detection in Honey: Development of Protocols in a Simulation
by Klytaimnistra Katsara, Zacharias Viskadourakis, Eleftherios Alissandrakis, Nikos Kountourakis, George Kenanakis and Vassilis M. Papadakis
Appl. Sci. 2024, 14(11), 4720; https://doi.org/10.3390/app14114720 - 30 May 2024
Cited by 4 | Viewed by 3016
Abstract
Honey, renowned for its nutritional and therapeutic properties, has recently come under scrutiny due to its contamination by microplastics, in multiple ways. Bees’ exposure to plastic pollution impacts the whole hive’s ecosystem, and plastic tends to accumulate in hive products. Plastic packaging as [...] Read more.
Honey, renowned for its nutritional and therapeutic properties, has recently come under scrutiny due to its contamination by microplastics, in multiple ways. Bees’ exposure to plastic pollution impacts the whole hive’s ecosystem, and plastic tends to accumulate in hive products. Plastic packaging as polyethylene terephthalate (PET) is used to store honey in small flexible packages, which also increases the risk of microplastic migration. This study aims to establish three practical detection methods for PET microplastics and nanoplastics in honey, using readily available laboratory equipment without the need for chemical digestion or costly pretreatment protocols, in a laboratory-based simulation. The first method utilizes Raman micro-spectroscopy, offering high-resolution identification of PET microplastics on cellulose acetate filters with Raman mapping, eliminating the need for organic solvents or dyes. The second method employs optical microscopic observation under fluorescence with the aid of 4-dimethylamino-4′-nitrostilbene dye and ultraviolet radiation to enhance microplastic visibility, making it suitable for laboratories with standard optical microscopes. To isolate MPs from the solid honey particles, a density separator has been introduced using pentane. Lastly, the third method employs the use of electrospray ionization mass spectrometry for the detection of nanoplastics (<200 nm) in honey samples, through the examination of the different extraction phases of density separation. All the aforementioned methods contribute to efficient microplastic detection in honey, ensuring its quality and safe consumption. Full article
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15 pages, 1758 KiB  
Article
Photorelaxation Pathways of 4-(N,N-Dimethylamino)-4′-nitrostilbene Upon S1 Excitation Revealed by Conical Intersection and Intersystem Crossing Networks
by Ziyue He, Ruidi Xue, Yibo Lei, Le Yu and Chaoyuan Zhu
Molecules 2020, 25(9), 2230; https://doi.org/10.3390/molecules25092230 - 9 May 2020
Cited by 2 | Viewed by 3751
Abstract
Multi-state n-electron valence state second order perturbation theory (MS-NEVPT2) was utilized to reveal the photorelaxation pathways of 4-(N,N-dimethylamino)-4′-nitrostilbene (DANS) upon S1 excitation. Within the interwoven networks of five S1/S0 and three T2/T1 conical [...] Read more.
Multi-state n-electron valence state second order perturbation theory (MS-NEVPT2) was utilized to reveal the photorelaxation pathways of 4-(N,N-dimethylamino)-4′-nitrostilbene (DANS) upon S1 excitation. Within the interwoven networks of five S1/S0 and three T2/T1 conical intersections (CIs), and three S1/T2, one S1/T1 and one S0/T1 intersystem crossings (ISCs), those competing nonadiabatic decay pathways play different roles in trans-to-cis and cis-to-trans processes, respectively. After being excited to the Franck–Condon (FC) region of the S1 state, trans-S1-FC firstly encounters an ultrafast conversion to quinoid form. Subsequently, the relaxation mainly proceeds along the triplet pathway, trans-S1-FC → ISC-S1/T2-trans → CI-T2/T1-trans → ISC-S0/T1-twisttrans- or cis-S0. The singlet relaxation pathway mediated by CI-S1/S0-twist-c is hindered by the prominent energy barrier on S1 surface and by the reason that CI-S1/S0-trans and CI-S1/S0-twist-t are both not energetically accessible upon S1 excitation. On the other hand, the cis-S1-FC lies at the top of steeply decreasing potential energy surfaces (PESs) towards the CI-S1/S0-twist-c and CI-S1/S0-DHP regions; therefore, the initial twisting directions of DN and DAP moieties determine the branching ratio between αC=C twisting (cis-S1-FC → CI-S1/S0-twist-ctrans- or cis-S0) and DHP formation relaxation pathways (cis-S1-FC → CI-S1/S0-DHP → DHP-S0) on the S1 surface. Moreover, the DHP formation could also take place via the triplet relaxation pathway, cis-S1-FC → ISC-S1/T1-cis → DHP-T1 → DHP-S0, however, which may be hindered by insufficient spin-orbit coupling (SOC) strength. The other triplet pathways for cis-S1-FC mediated by ISC-S1/T2-cis are negligible due to the energy or geometry incompatibility of possible consecutive stepwise S1 → T2 → T1 or S1 → T2 → S1 processes. The present study reveals photoisomerization dynamic pathways via conical intersection and intersystem crossing networks and provides nice physical insight into experimental investigation of DANS. Full article
(This article belongs to the Special Issue New Studies of Photoisomerization)
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