Article
Physics, Applied
B. Myers, P. Ranieri, T. Smirnova, P. Hewitt, D. Peterson, M. Herrera Quesada, E. Lenker, K. Stapelmann
Summary: Plasma-generated hydroxyl radicals and oxygen atoms were investigated, revealing that the HTA assay cannot distinguish between OH radicals and atomic oxygen, leading to inaccuracies in measuring aqueous OH densities. The experiments showed the significant role of atomic oxygen in plasma-induced liquid chemistry, highlighting the need for diagnostic techniques that take this into account.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2021)
Article
Chemistry, Physical
Loc T. Nguyen, Uyen N-P. Tran, Tam V-T. Mai, Trang T. Nguyen, Lam K. Huynh
Summary: This study investigates the chemical transformation of vinyl butyrate (VB) initiated by OH radicals in the atmosphere. The results show that H-abstraction from C-beta is the dominant reaction at low temperatures. The study also characterizes the secondary reactions and identifies NO2 as a new environmental concern.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Engineering, Chemical
Zhihui Wei, Jie Li, Lixia Yang, Siyu Liu, Haicheng Li, Mingxia Lu, Tiantian Ying, Yan Luo, Kexin Li, Zhenglin Chen, Xiuping Zhang, Shenglian Luo
Summary: The degradation of halogenated organic compounds in water using electro-reduction is a promising method for advanced water treatment. This study demonstrates the successful transformation of antiferromagnetic Co3O4 nanoparticles into interconnected nanoflakes, resulting in a porous cathode with amorphous Co(OH)(2) and CoOOH shell. The transformed Co3O4 cathode exhibits high activity and durability in efficiently degrading Thiamphenicol in water, regardless of pH and initial concentration.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Physical
Oluwafemi Akintola, Marco Farren-Dai, Weiwu Ren, Sandeep Bhosale, Robert Britton, Katarzyna Swiderek, Vicent Moliner, Andrew J. Bennet
Summary: This study investigates how an efficient α-galactosidase stabilizes transition state charge delocalization and whether covalent inhibition of the enzyme by different types of mechanism-based covalent inhibitors occurs via similar modes of transition state stabilization. The results show correlations between catalytic efficiencies of enzyme-catalyzed reactions and three families of classical mechanism-based inhibitors, indicating similar modes of stabilization for natural substrates and allylic carbasugars. However, 2-deoxy-2-fluoroglycoside inhibitors react via a different mechanism and the strained epoxy carbasugar inactivates the enzyme with lower degree of charge stabilization.
Article
Engineering, Environmental
Yang Li, Christopher J. Miller, Lei Wu, T. David Waite
Summary: This study demonstrates an electrochemical advanced oxidation process (EAOP) that can simultaneously catalyze the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR) to generate atomic hydrogen (H*) and hydrogen peroxide (H2O2) in situ. By using a palladium-coated carbon-PTFE gas diffusion electrode (Pd/C GDE) as a catalytic cathode, hydroxyl radicals ((OH)-O-center dot) can be formed by the reaction of electrogenerated H* with H2O2. The H*/GDE process is more effective in degrading organic contaminants compared to the conventional H*/H2O2 process.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Engineering, Environmental
Chao Qu, Yan-Gang Li, Shu-Juan Meng, Xiao-Hu Li, Shu-Jun Zhang, Da-Wei Liang
Summary: In this study, MnO2 was introduced into the cathodic catalyst layer for in-situ H2O2 decomposition to generate active oxidation species. The ORR-EO system with MnO2/CNTs-C/PTFE air-cathode and Ti/NATO anode successfully eliminated organic carbon in the effluent and saved energy.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Education & Educational Research
Igor Kotlyar, Joe Krasman, Lisa Fiksenbaum
Summary: The study found that students' reactions to the assessment of teamwork skills were positively related to perceived scenario realism, characters realism, and design clarity.
JOURNAL OF RESEARCH ON TECHNOLOGY IN EDUCATION
(2021)
Article
Chemistry, Physical
Jinfeng Zhao, Peng Song, Lu Feng, Xiao Wang, Zhe Tang
Summary: In this work, the excited state behaviors of B-bph-fla-OH were explored, inspired by its potential applications for detecting cysteine and its novel photoCORM property. By decoding photo-induced hydrogen bonding interactions and exploring atomic-electronegativity-dependent excited state intramolecular proton transfer (ESIPT) behavior, we revealed the significance of atomic electronegativity in photochemical reactions. We presented the atomic-electronegativity-regulated ESIPT mechanism and spectral behaviors, shedding light on the design and development of novel fluorescent sensors based on B-bph-fla-OH derivatives in the future.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Environmental Sciences
Baocong Zhao, Yongpeng Ji, Dandan Qin, Yuemeng Ji, Jiangyao Chen, Taicheng An
Summary: This study investigates the photooxidation mechanisms and kinetics of key products (OTAs) of toluene with NO2 using quantum chemical calculations, as well as the fate of OTAs under different concentration ratios of NO2 and O-2. The results reveal that the reaction between OTA and NO2 leads to the formation of o-cresol and anti-HONO, and the reaction rate constant of OTA-NO2 is higher than that of OTA-O-2.
JOURNAL OF ENVIRONMENTAL SCIENCES
(2022)
Article
Materials Science, Multidisciplinary
Kun Liu, Haotian Xia, Minghao Yang, Wenqiang Geng, Jie Zuo, Kostya (Ken) Ostrikov
Summary: By maintaining constant power input, this study investigates the behavior of argon plasma jet under different voltage and frequency conditions, showing that gas temperature decreases with frequency increase, while electron density remains stable and ozone density rises. The density of OH radicals also increases with driving voltage. These findings provide guidance for the development of effective and energy efficient plasma processes.
Article
Materials Science, Ceramics
Linfeng Ding, Ranran Lu, Lianjun Wang, Qiuju Zheng, John C. C. Mauro, Zhen Zhang
Summary: Using large-scale molecular dynamics simulations, the response of a sodium silicate glass under shape contact load is investigated. Both the short- and intermediate-range structures undergo notable changes below the indent, indicating a more disordered and heterogeneous network structure. The indentation-induced changes of local properties exhibit an exponential decaying behavior with increasing distance from the indent.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Multidisciplinary Sciences
Yoshiki Ishii, Nobuyuki Matubayasi, Go Watanabe, Takashi Kato, Hitoshi Washizu
Summary: The molecular simulations on the behavior of water molecules in nanochannels formed by self-assembled ionic liquid crystals reveal that water molecules are confined inside the nanochannels with the formation of hydrogen bonding network, allowing for water transport through the advantages of dissolution and diffusion mechanisms within the ionic nanochannels.
Article
Chemistry, Physical
Haogeng Li, Hongyu Gu, Chen Ming, Yi-Yang Sun, Yuzhi Zhang, Lixin Song
Summary: By using first-principles calculation combined with experiments, the interaction process between high-speed atomic oxygen (AO) and graphene was explored. It was found that the high-speed AO will either be scattered or adsorbed by graphene, depending on the impacting sites and incident angles. The AO-bonding condition of different sites on graphene is the most significant determinant affecting the impacting results.
APPLIED SURFACE SCIENCE
(2023)
Article
Biochemistry & Molecular Biology
Luying Jiang, Quancheng Sun, Li Li, Fuping Lu, Fufeng Liu
Summary: GV971 components inhibit the conformational transition of A beta 42 monomer by preventing the conversion from α-helix to β-sheet and the hydrophobic collapse. Both electrostatic and van der Waals interactions are beneficial for the binding of GV971 components to A beta 42 monomer, with electrostatic interactions playing a dominant role. GV971 components mainly interact with charged residues D1, R5, K16, and K28 through salt bridges and hydrogen bonds, specifically binding to the N-terminal region of A beta 42.
ACS CHEMICAL NEUROSCIENCE
(2021)
Article
Environmental Sciences
Rong Deng, Jiahao Lai, Zonghao Liu, Bing Song, Huan Liu, Dandan Chen, Gancheng Zuo, Zhen Yang, Fanyue Meng, Tingting Gong, Min Song
Summary: This research proposes a hypothesis for the co-disposal of sludge and coal slime to improve dewaterability. by utilizing the beneficial role of coal slime as a filter assist and CaO2 enhanced system. The results showed that under optimal conditions, the capillary suction time, specific resistance to filtration, and water content decreased significantly. The Fe2+/CaO2/coal slime combined system was proved to have a promising application prospect in enhancing sludge dewaterability.
Article
Physics, Applied
Maksudbek Yusupov, Debbie Dewaele, Pankaj Attri, Umedjon Khalilov, Frank Sobott, Annemie Bogaerts
Summary: This study unravels the possible mechanisms of oligosaccharide oxidation induced by cold atmospheric plasma (CAP), providing atomic-level insight into the onset of plasma-induced removal of biofilms.
PLASMA PROCESSES AND POLYMERS
(2023)
Article
Engineering, Biomedical
Ihn Han, In-Seok Song, Seung Ah Choi, Taebok Lee, Maksudbek Yusupov, Priyanka Shaw, Annemie Bogaerts, Eun Ha Choi, Jae Jun Ryu
Summary: This study proposes the use of low-dose nonthermal biocompatible dielectric barrier discharge plasma (DBD-NBP) on human gingival fibroblasts (HGFs) to enhance wound healing. The treatment inhibits colony formation but not cell death and induces cell migration through ECM degradation and MMP expression. The study also explores the effect of oxidation on the stability and conformation of FAK's catalytic kinase domain (KD).
ADVANCED HEALTHCARE MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Hamid Ahmadi Eshtehardi, Kevin Van 't Veer, Marie-Paule Delplancke, Francois Reniers, Annemie Bogaerts
Summary: This study develops a 1D heterogeneous catalysis model with axial dispersion to investigate the mechanisms of plasma-catalytic NO production. It also examines how changes in postplasma gas flow composition and catalytic stage operation conditions affect the performance of NO production.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Ivan Tsonev, Colin O'Modhrain, Annemie Bogaerts, Yury Gorbanev
Summary: Plasma-based nitrogen fixation is a promising alternative for fertilizer production, but factors like energy consumption and selectivity towards desired products hinder its applicability. This study investigated the use of rotating gliding arc plasma under elevated pressures, different gas flow rates, and composition, showing a significant increase in NOx production with low energy consumption (1.8 MJ/(mol N)), high production rate (69 g/h), and high selectivity (94%). This improvement is attributed to the enhanced thermal Zeldovich mechanism and increased NO oxidation rate due to elevated pressure.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Engineering, Environmental
Eduardo Morais, Evangelos Delikonstantis, Marco Scapinello, Gregory Smith, Georgios D. Stefanidis, Annemie Bogaerts
Summary: We propose a zero-dimensional kinetic model to study the gas-phase dynamics of methane conversion in a nanosecond pulsed discharge plasma reactor. The model accurately captures the rapid changes in electric field, gas and electron temperature, and species densities. By validating against experimental data, we investigate the effects of gas temperature and reactor pressure on gas conversion and product selectivity. Furthermore, we analyze the important reaction pathways and the dynamics of the heating and cooling mechanisms. H radicals are identified as the most abundant plasma species, participating in hydrogenation and dehydrogenation reactions that mainly lead to the formation of C2H4 and C2H2 as products (depending on the pressure).
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Jinxin Wang, Kaimin Zhang, Annemie Bogaerts, Vera Meynen
Summary: The effect of pore size on plasma catalysis is still unknown. In this study, 3D porous Cu and CuO with different pore sizes were prepared and compared in plasma-catalytic dry reforming. It was found that smaller pores led to higher conversion rates of CH4 and CO2, which provides valuable references for future research on plasma catalysts.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Jinxin Wang, Kaimin Zhang, Myrjam Mertens, Annemie Bogaerts, Vera Meynen
Summary: This study provides new insights into the effect of (sub)micrometer particle sized materials on plasma-based CO2CH4 reforming. SiO2 spheres with varying particle sizes, including supported metal, were used. The optimal performance was achieved using 740 nm 5 wt% Ni loaded SiO2, significantly improving CO2 and CH4 conversion and energy yield in a fully packed reactor. These findings highlight the importance of selecting a suitable particle size and can guide the rational design of catalysts for plasma-based reactions.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Chemistry, Physical
Amugul Esbergenova, Maksudbek Yusupov, Maryam Ghasemitarei, Rivojiddin Jalolov, Mirabbos Hojamberdiev, Ulugbek Shaislamov
Summary: The particle morphology of ZnO nanostructures significantly influences their photocatalytic activity. ZnO nanostructures with a nanostar-like morphology exhibit the highest photocatalytic activity due to the presence of a large number of oxygen vacancy-related defects on the (1 0 1) facet of ZnO.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Physics, Applied
Kamoliddin Mehmonov, Aziza Ergasheva, Maksudbek Yusupov, Umedjon Khalilov
Summary: The unique physical properties of carbyne, a novel carbon nanostructure, have attracted significant attention in nanotechnology. In this simulation-based study, the mechanisms of endohedral carbyne synthesis from carbon and carbon monoxide radicals with a nickel catalyst were investigated. The results revealed that the introduction of carbon atoms promoted the formation of elongated carbon chains, while the presence of carbon monoxide radicals inhibited the growth of carbyne chains.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Sean Kelly, Elizabeth Mercer, Robin De Meyer, Radu-George Ciocarlan, Sara Bals, Annemie Bogaerts
Summary: We investigated the conversion of CO2 and CH4 in atmospheric pressure microwave plasma, focusing on reaction performance and carbon formation. The energy costs were promising, with the best performance to date for plasma-based dry reforming of methane. The conversion rates for CO2 and CH4 were in the range of 46-49% and 55-67% respectively, producing primarily syngas with H2/CO ratios of 0.6-1.
JOURNAL OF CO2 UTILIZATION
(2023)
Review
Biochemistry & Molecular Biology
Maryam Ghasemitarei, Tayebeh Ghorbi, Maksudbek Yusupov, Yuantao Zhang, Tong Zhao, Parisa Shali, Annemie Bogaerts
Summary: Plasma medicine, or the biomedical application of cold atmospheric plasma (CAP), has shown versatile applications in various biological aspects. Reactive oxygen and nitrogen species (RONS) generated during CAP treatment play a crucial role in the therapeutic effects. Non-reactive molecular dynamics (MD) simulations provide valuable insights into the effects of CAP and nitro-oxidative stress on cellular components.
Article
Biochemistry & Molecular Biology
Davronjon Abduvokhidov, Maksudbek Yusupov, Aamir Shahzad, Pankaj Attri, Masaharu Shiratani, Maria C. Oliveira, Jamoliddin Razzokov
Summary: The potential of cold atmospheric plasma (CAP) in biomedical applications lies in its ability to generate reactive oxygen and nitrogen species (RONS). This study used molecular dynamics simulations to investigate the permeation capabilities of RONS across modified cell membranes, revealing that less hydrophilic species have a higher penetration ability through nitro-oxidized membranes. This research enhances our understanding of RONS translocation abilities in plasma biomedical applications and highlights the importance of further analyzing their role in intracellular signaling pathways.
Article
Physics, Fluids & Plasmas
Fahim Faraji, Mehdi Neek-Amal, Erik C. Neyts, Francois M. Peeters
Summary: Molecular dynamics simulations were conducted to investigate the influence of different cations on the permeation of charged polymers through narrow capillaries. It was discovered that Li+, Na+, and K+ cations, despite being monovalent, have distinct effects on polymer permeation and subsequent transmission speed. This phenomenon was attributed to the interplay between cations' hydration free energies and the hydrodynamic drag experienced by the polymer. Additionally, alkali cations exhibited surface-to-bulk preferences in small water clusters under an external electric field. The paper presents a new approach to controlling the speed of charged polymers in confined spaces using cations.
Article
Chemistry, Multidisciplinary
Omar Biondo, Cas F. A. M. Van Deursen, Ashley Hughes, Alex van de Steeg, Waldo Bongers, M. C. M. van de Sanden, Gerard van Rooij, Annemie Bogaerts
Summary: This study utilizes a microwave plasma in reverse vortex flow configuration to address the issue of solid carbon deposition in CO2/CH4 plasmas, achieving high reactor performance. The research demonstrates that by changing the gas flow configuration, greenhouse gases can be converted into value-added compounds without solid carbon, making significant strides in green chemistry.
