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4 results on '"Jihuan Yang"'

1. The reaction mechanism of SO3 with the multifunctional compound ethanolamine and its atmospheric implications.

Author

Rui Wang, Ruxue Mu, Zeyao Li, Yongqi Zhang, Jihuan Yang, Guanhua Wang, and Tianlei Zhang

Abstract

SO3 is an important reactive species in sulfur cycle and sulfuric acid formation processes and its reactions with some functional group substances, such as H2O, NH3, CH3OH, and organic and inorganic acids, have been extensively studied. However, its loss mechanism with multifunctional species is still lacking in detail. Herein, the reaction mechanism between SO3 and monoethanolamide (MEA) was investigated in the gas phase and on water droplets. The quantum chemical calculations indicate that the gas-phase reactions of SO3 with the OH and NH2 moieties of MEA hardly occur as their reaction energy barriers are up to 21.9-29.4 kcal mol-1. When a single water molecule is added into the SO3 + MEA reaction, it not only decreases the reaction barrier by at least 15.0 kcal mol-1 and thus enhances the rate obviously, but can also lead to the main product changing from HOCH2CH2NHSO3H to NH2CH2CH2OSO3H. The Born Oppenheimer molecular dynamics simulations on a water droplet show that the routes of the NH2CH2CH2OSO3- ··· H3O+ ion pair, HSO4 - and HOCH2CH2NH3 + ions and zwitterionic formations of HOCH2CH2NH2 +-SO3 - and SO3 --OCH2CH2NH3 + occur through a loopstructure route or chain reaction process, and can be finished within several picoseconds. Interestingly, the nucleation simulations show that the products of HOCH2CH2NHSO3H and NH2CH2CH2OSO3H have a potential ability to participate in the formation of new particles as they can form larger clusters with H2SO4, NH3 and H2O molecules within 20 ns. Thus, the present study will not only give new insight into the reaction between SO3 and multifunctional compounds, but also provide a new potential formation mechanism for particles resulting from the loss of SO3. [ABSTRACT FROM AUTHOR]

Published
2024
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3. Design of a quinazolinone-based environment-sensitive fluorescent dye: Solvatochromic fluorescence and application for one-photon and two-photon bioimaging

Author

Yang Fu, Lu Liu, Cheng Zhong, Jia Zhou, Yueshou Zhang, Yiyuan Peng, Jihuan Yang, Yu Luo, Zhibin Song, Yaya Zhang, and Jing Huang

Subjects
Hydrogen bond, Chemistry, Process Chemistry and Technology, General Chemical Engineering, Solvatochromism, Quantum yield, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, Fluorescence, Acceptor, 0104 chemical sciences, chemistry.chemical_compound, Two-photon excitation microscopy, Intramolecular force, 0210 nano-technology, Quinazolinone
Abstract

A novel quinazolinone-based fluorescent dye, 6-dimethylamino-2-(quinolin-2-yl)- quinazolin-4(3H)-one (DMAQQ), has been designed and synthesized. This quinazolinone-based dye exhibited good efficient solvatochromic fluorescence with appreciated fluorescence quantum yield in different organic solvents (0.57–0.78) and remarkable two-photon fluorescence. The theoretical calculation showed that it was derived from charge transfer (CT) character and intramolecular hydrogen bond. Further investigation on the interaction with anions also showed that the fluorescence intensity of this dye decreased and quenched through the destruction of intramolecular hydrogen bond by the addition of hydrogen bond strong acceptor. As a good bioimaging candidate, DMAQQ showed excellent biocompatibility. More importantly, DMAQQ exhibited blue and green one-photon fluorescence emission in HeLa cells with the Pearson's coefficient 0.39, which suggested possible different local polarity in HeLa cells. And the DMAQQ also showed bright green fluorescence in HeLa cells, which excited by two-photon, offering a new dye platform for high spatial resolution bio-imaging application.

Published
2019

4. Coumarin-Quinazolinone conjugate with large two photon action cross-section assisted by intramolecular hydrogen bond for bioimaging

Author

Song Liu, Jihuan Yang, Cheng Zhong, Jia Zhou, Yaya Zhang, Xue-Jiao Bai, Jing Huang, Guorui Li, Zhiming Xing, and Zhibin Song

Subjects
Hydrogen bond, Metals and Alloys, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Combinatorial chemistry, Fluorescence, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, chemistry.chemical_compound, chemistry, Two-photon excitation microscopy, Intramolecular force, Amide, Materials Chemistry, Moiety, Electrical and Electronic Engineering, 0210 nano-technology, Instrumentation, Quinazolinone, Conjugate
Abstract

Two photon (TP) fluorescence bioimaging proves to be a powerful tool for biomarker detection and disease diagnosis. However, the probes possessing both good optical properties and biocompatibility are limited. Herein a novel scaffold based on the conjugate of coumarin and quinazolinone (CQ) exhibited brilliant TP fluorescence properties (action cross-section value Φδmax = 299 GM and TP action cross section per molecular weight Φδmax/MW = 0.83) in water. The fluorescence properties are mainly attributed to the enlarged conjugate structure by intramolecular hydrogen bond. The TP fluorescence can be easily switched via amide group modification-deprotection strategy to regulate the formation of hydrogen bond. As a proof of concept, CQ was further engineered with p-nitrobenzyl moiety to afford 2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-3-(4-nitrobenzyl) quinazolin-4(3H)-one (NBCQ) for mitochondria nitroreductase (NTR) imaging in normoxia and hypoxia, which proved to be a sensitive and selective “off-on” NTR fluorescent probe.

Published
2019

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