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
Engineering, Environmental
J. A. Andersen, M. C. Holm, K. van't Veer, J. M. Christensen, M. Ostberg, A. Bogaerts, A. D. Jensen
Summary: The study investigates the factors affecting ammonia synthesis in a dielectric barrier discharge reactor, using both experiments and a plasma kinetic model. The effects of plasma power, feed flow rate, N2:H2 feed ratio, gas residence time, temperature, and packing material were examined. The results show that increasing the feed flow rate and gas temperature with a packing material present in the plasma can enhance the ammonia synthesis rate.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Physics, Fluids & Plasmas
I Tsonev, J. Boothroyd, St Kolev, A. Bogaerts
Summary: This study developed a 2D axisymmetric model to investigate the influence of the two cathode emission mechanisms on the cathode region and the positive column in a plasma discharge in flowing nitrogen gas. The results show that the electron emission mechanism greatly affects the size and temperature of the cathode region, but has no significant impact on the discharge column at atmospheric pressure. Additionally, it was found that the discharge contraction is enhanced with increasing flow velocity due to increased convective heat loss.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2023)
Article
Physics, Fluids & Plasmas
Omar Biondo, Ashley Hughes, Alex van de Steeg, Stein Maerivoet, Bjoern Loenders, Gerard van Rooij, Annemie Bogaerts
Summary: We investigate the discharge contraction in a microwave plasma at sub-atmospheric pressure in CO2 and CO2/CH4 mixtures, which intensifies the gas heating in the plasma core. The overall mechanism, including plasma contraction and chemical kinetics, is described by power concentration. Thermodynamic calculations and experimental observations are coupled for model validation and understanding of reactor performance in dry reforming of methane.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2023)
Article
Physics, Fluids & Plasmas
Patrick Vanraes, Syam Parayil Venugopalan, Matthieu Besemer, Annemie Bogaerts
Summary: Various strategies have been developed to cope with aspect ratio dependent etching (ARDE) in chip manufacturing, but they have their own limitations. In this study, we investigated the neutral transport mechanisms in ARDE by conducting experiments and simulations. Our findings suggest that the underlying mechanisms of ARDE involve shadowing and diffuse reflection of neutrals. We also explored different methods to regulate ARDE, with promising results obtained by adjusting the initial hardmask sidewall angle.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Elise Vervloessem, Mikhail Gromov, Nathalie De Geyter, Annemie Bogaerts, Yury Gorbanev, Anton Nikiforov
Summary: The current global energy crisis emphasizes the importance of understanding nonfossil fuel nitrogen fixation pathways for synthetic fertilizer production. This study investigates NH3 gas phase formation from humid N2 and air, demonstrating that adding water vapor increases nitrogen fixation capacity. However, a significant loss mechanism was identified, where HNO2 reacts with NH3 to form NH4NO2, which rapidly decomposes. Approaches to prevent this loss mechanism are discussed, such as in-line removal of HNO2 or direct solvation in liquid.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Rani Vertongen, Annemie Bogaerts
Summary: In this study, we evaluated new electrode configurations in a gliding arc plasmatron (GAP) reactor for CO2 conversion. The reactor design had limited influence on performance, with only slightly higher CO2 conversion compared to the basic GAP reactor design. Surprisingly, we found that different plasma reactors operating at atmospheric pressure showed similar performance, indicating potential performance limits. Further improvements should focus on aspects such as the post-plasma region to maximize the industrial potential of warm plasma technology.
JOURNAL OF CO2 UTILIZATION
(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
Chemistry, Applied
Bart Wanten, Rani Vertongen, Robin De Meyer, Annemie Bogaerts
Summary: This critical review provides a comprehensive guideline for authors in the field of plasma-based CO2 conversion, addressing the inconsistent reporting of performance metrics and providing correct definitions for gas conversion in plasma reactors. The paper discusses the importance of considering the change in volumetric flow rate and highlights inconsistencies in reporting energy efficiency. The authors also provide recommendations and good practices to stimulate the further development of this technology.
JOURNAL OF ENERGY CHEMISTRY
(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
Materials Science, Biomaterials
Francesco Tampieri, Albert Espona-Noguera, Cedric Labay, Maria-Pau Ginebra, Maksudbek Yusupov, Annemie Bogaerts, Cristina Canal
Summary: Non-thermal plasma has been extensively studied for biomedical applications, including tissue decontamination, regeneration, skin treatment, and tumor therapies. Plasma treatment of biopolymer solutions can enhance the generation of reactive oxygen and nitrogen species, making them ideal for indirect treatments of biological targets. The effects of plasma treatment on alginate solutions and the mechanisms responsible for enhanced reactive species generation were investigated using size exclusion chromatography, rheology, scanning electron microscopy, chromatography coupled with mass spectrometry, and molecular dynamics simulations. The active role of biopolymer chemistry during plasma treatment was highlighted, demonstrating its potential for targeted therapies using biocompatible hydrogels as vehicles for storing and delivering reactive species.
BIOMATERIALS SCIENCE
(2023)
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.