Antioxidant Properties of Thymoquinone, Thymohydroquinone and Black Cumin (<i>Nigella sativa</i> L.) Seed Oil: Scavenging of Superoxide Radical Studied Using Cyclic Voltammetry, DF... by Raiyan Sakib, Francesco Caruso, Sandjida Aktar, Stuart Belli, Sarjit Kaur, Melissa Hernandez, Miriam Rossi

“…Density Functional Theory (DFT) computational methods were applied to arrive at a chemical mechanism describing these results, and confirmed the experimental Rotating Ring Disk Electrode (RRDE) findings that superoxide oxidation to O₂ by TQ is feasible, in contrast with THQ, which does not scavenge superoxide. …”
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Numerical investigation of silted-up dam-break flow with different silted-up sediment heights by Zhenghua Gu, Tinghui Wang, Wenkang Meng, Ching-hao Yu, Ruidong An

“….; A Eulerian–Eulerian multiphase model coupling kinetic particle theory and computational fluid dynamics is used.; The rheology-based constitutive equations of sediment are considered.; The effect of the silted-up sediment height during a dam-break flow is investigated…”
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Single-atoms (N, P, S) encapsulation of Ni-doped graphene/PEDOT hybrid materials as sensors for H2S gas applications: intuition from computational study by Innocent Benjamin, Hitler Louis, Festus O. Ogungbemiro, Daniel C. Agurokpon, Bassey O. Ekpong, Terkumbur E. Gber, Anthony M. S. Pembere

“…Governed by density functional theory (DFT) computations at the gd3bj-B3LYP/def2svp level of theory, the investigation meticulously assessed the performance efficacy of electronically tailored nanocomposites in detecting H2S gas—a corrosive byproduct generated by sulfate reducing bacteria (SRB), bearing latent threats to infrastructure integrity especially in the oil and gas industry. …”
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Which System Variables Carry Robust Early Signs of Upcoming Phase Transition? An Ecological Example. by Ehsan Negahbani, D Alistair Steyn-Ross, Moira L Steyn-Ross, Luis A Aguirre

“…Here we resolve this puzzle using observability measures from control theory. By computing the observability coefficient for the system from the recordings of each population considered one at a time, we are able to quantify their ability to describe changing internal dynamics. …”
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Recurrent predictive coding models for associative memory employing covariance learning. by Mufeng Tang, Tommaso Salvatori, Beren Millidge, Yuhang Song, Thomas Lukasiewicz, Rafal Bogacz

“…Following this theory, a computational model based on classical hierarchical predictive networks was proposed and was shown to perform well in various AM tasks. …”
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Mathematical model for controlling generation company functioning under modern conditions by Yury Anatolievich Sekretarev, Tatyana Vladimirovna Myatezh, Boris Nikolaevich Moshkin

“…The theory optimization techniques and mathematical models, economical principles of management, the decision-making theory and computer science are widely used in the paper. …”
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Video-conferencing usage dynamics and nonverbal mechanisms exacerbate Zoom Fatigue, particularly for women by G. Fauville, M. Luo, A.C.M. Queiroz, A. Lee, J.N. Bailenson, J. Hancock

“…This paper leveraged theory on computer-mediated communication (CMC) to investigate the causes of Zoom fatigue in an online convenience sample of 9787 participants. …”
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Molecular Mean-Field Theory of Ionic Solutions: A Poisson-Nernst-Planck-Bikerman Model by Jinn-Liang Liu, Bob Eisenberg

“…The theory can also be used to study thermodynamic and electrokinetic properties of electrolyte solutions in batteries, fuel cells, nanopores, porous media including cement, geothermal brines, the oceanic system, etc. The theory can compute electric and steric energies from all atoms in a protein and all ions and water molecules in a channel pore while keeping electrolyte solutions in the extra- and intracellular baths as a continuum dielectric medium with complex properties that mimic experimental data. …”
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Mathematical model for controlling generation company functioning under modern conditions by Yury Anatolievich Sekretarev, Tatyana Vladimirovna Myatezh, Boris Nikolaevich Moshkin

“…The theory optimization techniques and mathematical models, economical principles of management, the decision-making theory and computer science are widely used in the paper. …”
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Feedforward control of thermal history in laser powder bed fusion: Toward physics-based optimization of processing parameters by Alex Riensche, Benjamin D. Bevans, Ziyad Smoqi, Reza Yavari, Ajay Krishnan, Josie Gilligan, Nicholas Piercy, Kevin Cole, Prahalada Rao

“…First, the temperature distribution of a part was predicted rapidly using a graph theory-based computational thermal model. Second, the model-derived thermal trends were analyzed to isolate layers of potential heat buildup. …”
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Computational Analysis of Quantitative Characteristics of some Residual Properties of Solvable Baumslag-Solitar Groups by Elena Alexandrovna Tumanova

“…The results obtained may have applications in the theory of computational complexity and algebraic cryptography.…”
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Electrochemical CO2 reduction on metal-silicon centered single-atom dual site catalyst: A computational study by Chia-Chi Chang, Shiuan-Yau Wu, Chen-Wei Chan, Hsin-Tsung Chen

“…In this work, we employed density functional theory (DFT) computations to design innovative electrocatalysts for the electrochemical CO2 reduction reaction (ECRR). …”
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Foundations of Programmable Process Structures for the unified modeling and simulation of agricultural and aquacultural systems by Monika Varga, Bela Csukas

“…The scientific problem addressed in this innovation is to develop Programmable Process Structures (PPS) by combining functional basis of systems theory, structural approach of net theory and computational principles of agent based modeling. …”
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The Plumb-Line Matching Algorithm for UAV Oblique Photographic Photos by Xinnai Zhang, Jiuyun Sun, Jingxiang Gao, Kaijie Yu, Sheng Zhang

“…In conclusion, thanks to the plumb-line-oriented matching strategy, this algorithm owns inherent advantages in theory and computational complexity. It is suitable for all building-oriented oblique photogrammetry tasks and is highly worthy of promotion and application.…”
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Influence of the number system in residual classes on the fault tolerance of the computer system by Alina Yanko, Viktor Krasnobayev, Anatolii Martynenko

“…Methods of system analysis, number theory, theory of computing processes and systems, and coding theory in the SRC were the basis of the conducted research. …”
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Integrability in random conformal geometry by Ang, Jie Jun

“…It agrees with the imaginary DOZZ formula of Zamolodchikov (2005) and Kostov-Petkova (2007), which is the three-point structure constant of the generalized minimal model conformal field theories. We compute the one-point bulk structure constant for LCFT on the disk, thereby proving the formula proposed by Fateev, Zamolodchikov and Zamolodchikov (2000). …”
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Recurrent predictive coding models for associative memory employing covariance learning by Tang, M, Salvatori, T, Millidge, B, Song, Y, Lukasiewicz, T, Bogacz, R

“…Following this theory, a computational model based on classical hierarchical predictive networks was proposed and was shown to perform well in various AM tasks. …”

Comparability of science assessment across languages: the case of PISA science 2006 by Masri, Y

“…A way forward incorporating cognitive load theory and computational linguistics is proposed.</p>…”

Least-squares finite element method for solving stokes equation with a point source magnetic field by Che Ayob, Alia Rafiza

“…LSFEM has several advantages in terms of theory and computing, and it can create a symmetric and positive-definite algebraic system of equations that can be solved quickly and robustly using iterative approaches. …”
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About Granular Rough Computing—Overview of Decision System Approximation Techniques and Future Perspectives by Piotr Artiemjew

“…The first references to the granular computing can be seen in the works of Zadeh in fuzzy set theory. Granular computing allows for a very natural modelling of the world. …”
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