Article
Chemistry, Physical
Ana Maria Lopez Fernandeza, Abdul Rehman, Faisal Saleem, Mohamad Faiz Mukhtar Gunam Resul, Aumber Abbas, Sajjad Ahmad, Valentine C. Eze, Adam P. Harvey
Summary: By using tungsten-based polyoxometalates as catalysts, we have developed a highly selective and environmentally benign process for limonene epoxidation, achieving 96% limonene conversion, 80% selectivity to limonene-1,2-epoxide, and 19% selectivity to limonene bis-epoxide.
MOLECULAR CATALYSIS
(2023)
Article
Chemistry, Physical
Yun-Jie Chu, Gang Sun, Chun-Hua Yang, Xue-Mei Chen, Chun-Guang Liu
Summary: In this study, the Fe-POM catalyst was used to catalyze the epoxidation of propylene with H2O2. The catalyst can be viewed as a high-valent Fe-oxo species, and effectively activates propylene molecules through electron transfer, resulting in a low activation energy barrier for the reaction. Decomposition of H2O2 was found to be the rate-determining step for the entire reaction process.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2021)
Review
Chemistry, Multidisciplinary
Mohamad Faiz Mukhtar Gunam Resul, Abdul Rehman, Faisal Saleem, Muhammd Usman, Ana Maria Lopez Fernandez, Valentine C. Eze, Adam P. Harvey
Summary: This review explores the potential of epoxides derived from waste biomass for the production of bio-based polymers and discusses recent efforts in developing catalytic and non-catalytic processes for the epoxidation of terpenes. The review also highlights the need for continuous processes to overcome mass and heat transfer limitations and discusses flow chemistry and innovative reactor designs as solutions. Ultimately, the objective of this review is to contribute to the development of commercially viable processes for producing bio-based epoxides from waste biomass.
Article
Chemistry, Physical
Jia Han, Lei Wang, Wenjin Cao, Qinqin Yuan, Xiaoguo Zhou, Shilin Liu, Xue-Bin Wang
Summary: Size-selective, negative ion photoelectron spectroscopy in conjunction with quantum chemical calculations is employed to investigate the geometric and electronic structures of a protype system in catalytic olefin epoxidation research. The study illustrates the prevalence of a high-lying isomer with asymmetric dual hydrogen-bonding configuration, which is formed by direction-specific electrostatic interactions between [HFIP-H](-) and H2O2. The occurrence of partial charge transfer and proton transfer is observed, and the produced hydroperoxyl radical HOO center dot offers a possible new pathway in olefin epoxidation chemistry.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Applied
Roman Ottenbacher, Vladimir Kurganskiy, Evgenii P. Talsi, Konstantin P. Bryliakov
Summary: In this study, we reported the enantioselective epoxidation of electron-deficient cis- and trans-alpha,beta-unsaturated amides using the environmentally benign oxidant H2O2. The manganese complexes with bis-amino-bis-pyridine and related ligands as catalysts showed high efficiency and excellent chemo- and enantioselectivity. The presence of NH moiety was found to enhance the enantioselectivity and yield of cis-enamides epoxidation significantly.
ADVANCED SYNTHESIS & CATALYSIS
(2021)
Article
Energy & Fuels
Tong Zhang, Xuejing Chen, Bingjie Ding, Zuoji Ding, Yajun Wang, Hewen Qiu, Yongjun Jiang, Sheng Dai, Zhenshan Hou
Summary: In this study, a new kind of carboxylic acid-functionalized imidazolium-based ionic liquid-stabilized Ti oxoclusters was synthesized via solvothermal method, and the structure and performance were examined. The results indicated that the Ti oxoclusters exhibited excellent catalytic activity and stability in the oxidative desulfurization process. Furthermore, the anion in the ionic liquid played a crucial role in the activation of catalytic species.
Article
Chemistry, Multidisciplinary
Kai Dong, Yuanyuan Wang, Longcheng Zhang, Xiaoya Fan, Zerong Li, Donglin Zhao, Luchao Yue, Shengjun Sun, Yongsong Luo, Qian Liu, Abdulmohsen Ali Alshehri, Quan Li, Dongwei Ma, Xuping Sun
Summary: Renewable electricity-driven organic electrosynthesis processes using electrocatalytically generated H2O2 for olefin epoxidation can efficiently produce high-purity epoxide solutions, with only water and oxygen consumed at ambient conditions.
Article
Chemistry, Physical
Nataliya V. Maksimchuk, Vasilii Yu. Evtushok, Olga V. Zalomaeva, Gennadii M. Maksimov, Irina D. Ivanchikova, Yuriy A. Chesalov, Ilia V. Eltsov, Pavel A. Abramov, Tatyana S. Glazneva, Vadim V. Yanshole, Oxana A. Kholdeeva, R. John Errington, Albert Sole-Daura, Josep M. Poblet, Jorge J. Carbo
Summary: Zr-monosubstituted Lindqvist-type polyoxometalates have been used as molecular models to investigate the mechanism of hydrogen peroxide activation over Zr(IV) sites. These compounds catalyze the epoxidation of unfunctionalized alkenes and show increased activity with acid additives. The interaction with H2O2 results in the formation of various peroxo derivatives, with different species showing different reactivity towards oxygen transfer reactions.
Article
Chemistry, Physical
Hanxiang Chen, Shuting Hou, Haoyuan Cui, Chao Wang, Ming Zhang, Hongping Li, Hui Xu, Jiqing Wu, Wenshuai Zhu
Summary: The interfacial properties and active site distribution of catalysts have a significant impact on catalytic oxidative desulfurization activity, which has been a research focus in recent years. In this study, an amphiphilic and polyoxometalate poly(ionic liquids) were prepared through cross-linking copolymerization and ion exchange reaction for desulfurization in fuel. The resulting sample, p-C2VIM-DVB-2-PMo, exhibited enhanced desulfurization performance and good thermal stability, meeting the requirements for deep desulfurization. Density functional theory calculations were also utilized to investigate the adsorption strength and interaction nature between the cation and sulfide compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Jeremy W. Arvay, Wei Hong, Christina Li, Fabio H. Ribeiro, W. Nicholas Delgass, James W. Harris
Summary: The catalytic roles of extracrystalline and intracrystalline gold nanoparticles on the direct propylene epoxidation were investigated, and it was found that there was no intrinsic difference between the two. The kinetics of the reaction were measured and the results were consistent with previous studies on intracrystalline gold nanoparticles. An active site model was developed and the estimated turnover frequencies were 20 times higher than previous estimates. The dispersion of gold was found to affect the rate of hydrogen oxidation.
Article
Chemistry, Physical
Jeremy W. Arvay, Wei Hong, Christina Li, W. Nicholas Delgass, Fabio H. Ribeiro, James W. Harris
Summary: In this study, the difference in catalytic roles of extracrystalline and intracrystalline gold nanoparticles in direct propylene epoxidation was investigated. The results showed that the activation energy and reaction orders for propylene epoxidation were similar for both types of nanoparticles. However, the activation energy for hydrogen oxidation differed, indicating a change in rate-limiting step or active site. An active site model was developed to estimate catalytic turnover frequencies and it was found that the simultaneous mechanism occurring over proximal Au-Ti sites alone is not sufficient to explain the observed rate of propylene epoxidation, suggesting the kinetically relevant short-range migration of hydrogen peroxide. The study also found that the rates of hydrogen oxidation varied proportionally to the amount of surface gold atoms, indicating the importance of gold dispersion in the catalysts.
Article
Materials Science, Biomaterials
Yun Yu, Bo-Ru Xie, Xin-Hua Liu, Jing-Jie Ye, Han Cheng, Zhenlin Zhong, Xian-Zheng Zhang
Summary: In this study, nanoparticles composed of polymers containing oxalate ester and Pluronic F-127 were used to achieve accurate tumor imaging and treatment through H2O2-responsive chemiluminescence in the tumor microenvironment. Moreover, the nanoplatform activated the immune system for anti-metastatic activity.
JOURNAL OF MATERIALS CHEMISTRY B
(2022)
Article
Chemistry, Physical
Shuxin Mao, Svenja Budweg, Anke Spannenberg, Xiaodong Wen, Yong Yang, Yong-Wang Li, Kathrin Junge, Matthias Beller
Summary: The combination of Fe(OTf)(2) with N-methyl bis(picolylamine) (Me-bpa) L7 enables the epoxidation of linear olefins, including terminal, internal, and cyclic ones, using hydrogen peroxide as a terminal oxidant under mild conditions. Improved yields of epoxides up to 75% have been achieved in the presence of picolinic acid as an additive.
Article
Chemistry, Physical
Shou-Kun Zhang, Yuge Feng, Ahmad Elgazzar, Yang Xia, Chang Qiu, Zachary Adler, Chase Sellers, Haotian Wang
Summary: This study demonstrates a fully integrated system that shows significantly improved catalytic performance compared to traditional tandem systems. By confining the chemical reaction at the electrode/electrolyte interface in a solid electrolyte reactor, the high concentration of H2O2 generated from electrocatalysis is leveraged to enhance the subsequent reaction, avoiding energy-intensive separation or concentration steps.
Review
Chemistry, Physical
Nataliya V. V. Maksimchuk, Oxana A. A. Kholdeeva
Summary: Polyoxometalates (POMs) are transition metal oxygen anionic clusters with oxidative and thermal stability, tunable acid and redox properties, solubility, and functionality. They have potential as homogeneous catalysts and building blocks for heterogeneous selective oxidations catalysts. Immobilizing POM catalysts on solid supports provide advantages of easy separation and reuse, important for sustainable chemistry. This article provides an overview of recent advances in liquid-phase selective oxidation using supported POMs and hydrogen peroxide, focusing on catalyst stability and reusability.
Article
Chemistry, Applied
Rana Yahya, Reda F. M. Elshaarawy
Summary: A green and sustainable heterogeneous nanocatalyst was fabricated using rice straw refined to ionic nanocellulose Schiff base, which showed excellent activity in catalyzing the Suzuki reaction and displayed good recyclability.
REACTIVE & FUNCTIONAL POLYMERS
(2022)
Article
Chemistry, Multidisciplinary
Jimei Zhou, Minxian Jia, Menghui Song, Zhiliang Huang, Alexander Steiner, Qidong An, Jianwei Ma, Zhiyin Guo, Qianqian Zhang, Huaming Sun, Craig Robertson, John Bacsa, Jianliang Xiao, Chaoqun Li
Summary: This study reports a new non-heme Mn catalyst that enables the benzylic oxidation reactions under mild conditions. The catalyst shows high activity and excellent selectivity, allowing for the oxidation of a wide range of functional groups. This method provides a cost-effective, sustainable, and robust pathway for the synthesis of ketones, increasing the complexity of organic molecules, and modifying drugs at a late stage.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Food Science & Technology
Aisha M. H. Al-Rajhi, Rana Yahya, Marwah M. Bakri, Reham Yahya, T. M. Abdelghany
Summary: In this study, Cu-doped ZnO based polymer nano-composite was synthesized using eco-friendly methods and characterized. The nano-composite exhibited strong antibacterial activity against various microorganisms and showed promising anti-inflammatory and antioxidant properties. However, it was not effective against certain fungi.
APPLIED BIOLOGICAL CHEMISTRY
(2022)
Article
Chemistry, Organic
Sarah Livesley, Bethany Trueman, Craig M. Robertson, William R. F. Goundry, James A. Morris, Christophe Aissa
Summary: Thiols easily react with [1.1.1]propellane to give sulfur-substituted bicydo[1.1.1]pentanes in radical reactions. However, this reactivity is not observed in the case of heterocyclic thiols. In this study, electrophilic activation of [1.1.1]propellane was used to promote its iodo-sulfenylation with 10 classes of heterocyclic thiols in protocols that can be conducted on a multigram scale without exclusion of air or moisture.
Article
Energy & Fuels
Tarek M. Abdelghany, Aisha M. H. Al-Rajhi, Reham Yahya, Marwah M. Bakri, Mohamed A. Al Abboud, Rana Yahya, Husam Qanash, Abdulrahman S. Bazaid, Salem S. Salem
Summary: The study explores the use of willow plant to fabricate zinc oxide nanoparticles (ZnONPs) for various applications. The ZnONPs were characterized using different techniques and were found to have excellent antimicrobial activity and antioxidant properties. They also exhibited cytotoxicity against prostate cancer cells.
BIOMASS CONVERSION AND BIOREFINERY
(2023)
Article
Chemistry, Physical
Rana Yahya, Reda F. M. Elshaarawy
Summary: A new mixed matrix membrane (MMM) consisting of sulfonated polyethersulfone (SPES) and sulfonated crosslinked chitosan (SCCS) was synthesized and used as a catalytic pervaporation membrane reactor (PMR) for the esterification of acetic acid with ethanol. The optimal conditions for esterification over SPES-SCCS were determined using a batch reactor (BR). The esterification of ethyl acetate was studied in the PMR based on the experimental findings of the BR. The PMR showed superior catalytic performance compared to the BR and exhibited permselectivity towards ethyl acetate.
CATALYSIS COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Labhini Singla, Anil Kumar, Craig M. Robertson, Parthapratim Munshi, Angshuman Roy Choudhury
Summary: In this study, the nature of weak intermolecular interactions mediated by organic fluorine has been investigated through experimental and theoretical analyses. The properties of organic fluorine have been studied by analyzing the topological properties of electron densities.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Organic
Lucas Vidal, Pan -Pan Chen, Eva Nicolas, Andrew Hackett, Craig M. Robertson, Kendall N. Houk, Christophe Aissa
Summary: The iridium-catalyzed intramolecular cyclopropanation of alpha-carbonyl sulfoxonium ylides (SY) in the presence of a chiral diene is reported with high yield (up to 96%) and enantioselectivity (98%). Density functional theory calculations suggest that the re face of the olefin prefers to attack an iridium carbene intermediate in an asynchronous concerted step independent of the geometry of the olefin.
Article
Multidisciplinary Sciences
M. S. Showman, Asmaa M. Abd El-Aziz, Rana Yahya
Summary: This study presents a method for preparing titanium-based metal-organic framework (MIL-125) photocatalysts using a solvothermal method. The resulting samples were characterized through various analyses, revealing their structure, morphology, and optical properties. The study found that the prepared sample at 150 degrees C and reaction time of 48 hours exhibited favorable photocatalytic activity for degrading crude oil spills in saltwater.
SCIENTIFIC REPORTS
(2022)
Article
Materials Science, Multidisciplinary
Quinn D. Gibson, Craig M. Robertson, Matthew S. Dyer, Marco Zanella, T. Wesley Surta, Luke M. Daniels, John B. Claridge, Jonathan Alaria, Matthew J. Rosseinsky
Summary: The synthesis, structure, and properties of single crystalline Mn1.05Bi in polar space group Fdd2 are reported. Mn1.05Bi is isostructural to Mn1.05Rh0.02Bi and exhibits ferromagnetic properties with a huge magnetic anisotropy. The material shows multiple magnetic transitions and is dominated by magnetic scattering, along with sluggish spin dynamics. Density-functional theory calculations support the presence of a strongly anisotropic noncollinear ground state driven by Kagome layers and asymmetric Mn environments.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Biochemistry & Molecular Biology
Reda F. M. Elshaarawy, Hamad H. Abdel Gawad, Hassan M. A. Hassan, Reda M. Abd Alaal, Eman M. Hassan, Rana O. Yahya, Lamia A. Ismail
Summary: A new chelating ionic liquid (LSOH) and its metal complex (VO(LSO)(2)) were synthesized and characterized. The catalytic activity of VO(LSO)(2) in alkene epoxidation reactions was studied, and it was found to efficiently convert cyclic alkenes to their corresponding epoxides under optimal conditions.
CHEMISTRY & BIODIVERSITY
(2023)
Article
Biochemistry & Molecular Biology
Rana Yahya, Reda F. M. Elshaarawy
Summary: Cross-linked quaternized polyethersulfone hybrid mixed polymer membranes loaded with amino crystalline nanocellulose were successfully prepared and used for phosphate removal. The membranes exhibited improved hydrophilicity, porosity, permeability, and antifouling properties compared to the native membrane. The membranes showed high positive surface charge densities and excellent phosphate adsorption capacities. The adsorption followed the Sips isotherm model with multilayer adsorption capabilities and pseudo-second order kinetics. The membranes maintained their effectiveness for phosphate removal even after recovery and regeneration with NaOH.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Correction
Multidisciplinary Sciences
M. S. Showman, Asmaa M. Abd El-Aziz, Rana Yahya
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Sadia Aroob, Sonia A. C. Carabineiro, Muhammad Babar Taj, Ismat Bibi, Ahmad Raheel, Tariq Javed, Rana Yahya, Walla Alelwani, Francis Verpoort, Khanita Kamwilaisak, Saleh Al-Farraj, Mika Sillanpaa
Summary: In this study, CuO nanoparticles were synthesized by a simple, one-pot mechanochemical approach using the leaf extract of Seriphidium oliverianum as a reducing and stabilizing agent. The CuO NPs showed high potential for degrading water-soluble industrial dyes, with degradation rates of 65.231% +/- 0.242 for methyl green (MG) and 65.078% +/- 0.392 for methyl orange (MO). This bio-mechanochemically synthesized CuO NPs are promising candidates for efficient dye removal from water.
Article
Chemistry, Multidisciplinary
Andrew C. Boggiano, Chad M. Studvick, Alexander Steiner, John Bacsa, Ivan A. Popov, Henry S. La Pierre
Summary: This study presents a series of Ce3+ complexes with counter cations ranging from Li to Cs. Cyclic voltammetry data show a significant dependence of the oxidation potential on the alkali metal identity. Analysis of the single-crystal X-ray diffraction data indicates a linear correlation between the degree of structural distortion and the measured oxidation potential. Solution electronic absorption spectroscopy confirms the reflection of structural distortion in the solution structure. Computational studies further validate this analysis.
