Article
Environmental Sciences
Kyriazis Rekos, Zoi-Christina Kampouraki, Chrisowalantou Panou, Alexandra Baspanelou, Konstantinos Triantafyllidis, Eleni Deliyanni
Summary: The adsorption of DBT and 4,6-DMDBT from solutions in different solvents was investigated using activated carbons and their oxidized counterparts. The results showed that oxidation increased oxygen surface groups on the sorbents, leading to enhanced adsorption of thiophenic compounds through polar interactions.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2021)
Article
Engineering, Environmental
Qingyang Li, Zhengting Xiao, Hongchuan Xin, Guangci Li, Da Wang, Chao Feng, Xuebing Li, Song Chen, Keng H. Chung
Summary: An oil-soluble CoMo6 heteropolyacid was synthesized with the modification of a surfactant dioctadecyl dimethyl ammonium chloride, and was then used to prepare a highly active sulfided catalyst. The sulfurization degree was found to affect the hydrotreating activity of the catalyst, with the incompletely sulfurized catalyst showing high reactivity for 4,6-dimethylbenzothiophene (4,6-DMDBT) and vacuum residue (VR). The presence of surface oxysulfides was believed to contribute to this unusual finding, as they were generated during the sulfurization process. The acidic oxysulfides not only improved the activation of 4,6-DMDBT, but also facilitated the cleavage of C-C bonds of the intermediate product 3,3'-dimethylcyclohexylbenzene, as supported by reaction data and DFT calculation. The catalysts with incomplete sulfide state also demonstrated excellent catalytic performance in upgrading VR, highlighting the significance of the proposed incomplete sulfurization strategy in preparing bifunctional hydrogenation catalysts with desulfurization and cracking activities.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Energy & Fuels
Fei Fan, Zhiping Chen, Anning Zhou, Zhiyuan Yang, Yating Zhang, Xinxin He, Jie Kang, Wenwu Zhou
Summary: In this study, a non-periodic computational model for Ga-Ni-Mo-S nanocluster was established to investigate the inert pair effect of Ga species on both the electron structures of the nanocluster and the direct desulfurization reaction of 4,6-dimethyldibenzothiophene. The results showed that the inert pair effect of Ga enhanced the stability of the nanocluster and affected the electron and bonding properties of the active sites. The enhanced electron acceptor characteristics allowed 4,6-DMDBT to undergo the DDS reaction on the Ga-Ni-Mo-S nanocluster.
Article
Engineering, Environmental
Ning Li, Mengzhen Yuan, Guoju Cui, Jiale Xu, Xiuyi Li, Guowei Wang, Xiaolin Zhu, Chunyi Li
Summary: This study proposes a novel route using molecular oxygen for the green synthesis of di-tert-butyl peroxide (DTBP) from isobutane. MoO3 was demonstrated as the selective catalyst for this reaction, and the selectivity to DTBP was determined by the amount of surface Mo = O sites. Under optimized conditions, high oxygen conversion (>95%) and stable product selectivities (DTBP -20 wt%, TBHP -13 wt%) were achieved. This work provides an environmentally friendly method for utilizing C4 hydrocarbon resources and producing DTBP.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Juncong Zou, Yan Lin, Shaohua Wu, Mengjie Wu, Chunping Yang
Summary: The developed catalyst Mo/KIT-6-Ti shows excellent oxidative desulfurization performance, achieving efficient conversion of sulfides without the need for organic solvents, demonstrating great potential for practical fuel applications.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Analytical
Xin Zhang, Xianghui Shi, Yong Pan, Juncheng Jiang
Summary: This study investigates the pyrolysis behavior of tert-butyl hydroperoxide (TBHP) through molecular dynamics simulations. The main pyrolysis products and reaction pathways are identified, and a detailed reaction mechanism is proposed. The calculated apparent activation energy agrees reasonably with experimental results. This research provides scientific guidance for the process safety of organic peroxides and the development of suppression technologies.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2022)
Article
Chemistry, Organic
Zhang Yunqian, Zhou Chenfan, Liu Gongqing
Summary: Phosphoroselenoates are widely used in organic synthesis and drug discovery. This study developed a new method for the synthesis of phosphoroselenoates through the oxidative coupling reaction of diselenides with phosphites using t-butyl hydroperoxide (TBHP) as an oxidant. The advantages of this method include mild reaction conditions, broad substrate scope, excellent yields, and the absence of transition metals and bases.
CHINESE JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Energy & Fuels
Shuaishuai Zhou, Jing He, Peiwen Wu, Lianwen He, Duanjian Tao, Linjie Lu, Zhendong Yu, Linhua Zhu, Yanhong Chao, Wenshuai Zhu
Summary: Encapsulating phosphomolybdic acid into a metal-organic framework improves the stability and activity of the oxidative desulfurization catalyst, showing excellent performance in treating the most stubborn sulfides in fuel oil. The catalyst can be recycled multiple times and the oxidizing product can be well separated, indicating promising potential for real diesel desulfurization.
Article
Chemistry, Multidisciplinary
Juncong Zou, Yan Lin, Chunping Yang
Summary: Oxidative desulfurization (ODS) is a promising technology for clean fuel production, but the exceptional catalytic activity of amorphous molybdenum oxides (MoOx) remains unclear. This study reveals the crucial role of Mo-O covalency in determining the catalytic activity of amorphous MoOx. The enhanced Mo-O covalency improves the interaction between MoOx and H2O2, resulting in outstanding ODS catalytic activity.
SCIENCE CHINA-CHEMISTRY
(2023)
Article
Thermodynamics
Wenlin Huang, Congjie Hong, Wuchuan Sun, Honghuan Wu, Zuohua Huang, Yingjia Zhang
Summary: In this study, tert-butyl hydroperoxide (TBHP) was investigated as an additive reactively enhancer to improve the auto-ignition of n-heptane. The results showed a nonlinear promotion effect of TBHP on the auto-ignition of n-heptane, with detonation caused by TBHP impacting the reflected shock temperature and pressure at high beginning temperatures. Addition of TBHP suppressed the negative temperature coefficient (NTC) behavior of first-stage ignition and strengthened the NTC behavior of ignition delay time (IDT). Analysis indicated that TBHP facilitated the quick production of OH and CH3 radicals, enhancing the reactivity of n-heptane and affecting the main exothermic reaction in the early period. This study highlights the potential of TBHP in regulating the combustion of hydrocarbon fuels and provides insights for efficient utilization in scramjet engines and micro internal combustion engines.
COMBUSTION AND FLAME
(2023)
Article
Chemistry, Applied
Hanlin Yao, Li Wan, Xiaoyu Zhao, Yahui Guo, Jian Zhou, Xiaofan Bo, Yuxin Mao, Zhong Xin
Summary: The nucleating agent intermediate was successfully synthesized in continuous flow for the first time, with a high yield achieved through optimization and the use of a specific continuous flow reactor design. This approach offers advantages of high productivity and scalability for continuous synthesis.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2021)
Article
Multidisciplinary Sciences
Mahima Sharma, James P. Lingford, Marija Petricevic, Alexander J. D. Snow, Yunyang Zhang, Michael A. Jarva, Janice W. -Y. Mui, Nichollas E. Scott, Eleanor C. Saunders, Ruwan Epa, Bruna M. da Silva, Douglas E. V. Pires, David B. Ascher, Malcolm J. McConville, Gideon J. Davies, Spencer J. Williams, Ethan D. Goddard-Borger
Summary: Degradation of sulfoquinovose is an important process in the carbon and sulfur cycles, allowing the utilization of the sugar's carbon skeleton. Agrobacterium tumefaciens imports sulfoquinovose and releases sulfite and glucose through oxidative desulfurization. This pathway is distributed among various bacterial orders and enables complete utilization of sulfoquinovose by a single organism.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Microbiology
Shih-Jie Chen, Hung-Yu Shu, Guang-Huey Lin
Summary: This study showed that Acinetobacter baumannii ATCC 19606 harbors two sets of ohrR-ohr genes in chromosomal DNA and a pMAC plasmid. While the chromosomal ohrR-C-ohr-C genes act as the major system in protecting the bacteria from organic hydroperoxide stresses, the pMAC ohrR-p-ohr-p genes can provide a supplementary protective effect and their interaction may influence bacterial growth and virulence.
Article
Biochemistry & Molecular Biology
Mikhail G. Akimov, Elena V. Fomina-Ageeva, Polina V. Dudina, Ludmila A. Andreeva, Nikolay F. Myasoyedov, Vladimir V. Bezuglov
Summary: This study found that the peptide exhibited dose-dependent cytoprotective effects against oxidative stress induced by H2O2, tert-butyl hydroperoxide, and KCN, as well as proproliferative activity. Its mechanism of action involved modulation of proliferation-related NF-kappa B genes, stimulation of prosurvival NRF2-gene-related pathway, and reduction of apoptosis.
Article
Chemistry, Physical
Rita N. Sales, Carla D. Nunes
Summary: Desulfurization is crucial for eliminating sulfur compounds from fuel feedstocks, and MoO3 nanoparticles synthesized through hydrothermal method have shown to be efficient catalysts for oxidative desulfurization. The catalyst demonstrated enhanced activity and selectivity in the desulfurization process, with temperature and solvent influencing the conversion rate. The catalytic performance of MoO3 nanomaterial was comparable or superior to other catalysts reported in literature.
