On the Primary Ionization Mechanism(s) in Matrix-Assisted Laser Desorption Ionization by Laura Molin, Roberta Seraglia, Zbigniew Czarnocki, Jan K. Maurin, Franciszek A. Pluciński, Pietro Traldi

“…Some differences have been observed for different matrices in the formation of analyte molecule (M) ion [M+H]+, [M-H]-, M+•, and [M-2H]-•, and they have been explained in terms of ionization energies, pKa values, and thermodynamic stability.…”
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Structural, Elastic, and Electronic Properties of Antiperovskite Chromium-Based Carbides ACCr3 (A = Al and Ga) by D. F. Shao, W. J. Lu, S. Lin, P. Tong, Y. P. Sun

“…The calculated formation energies show that AlCCr3 and GaCCr3 can be synthesized at ambient pressure and are stable with nonmagnetic ground states. …”
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Electron Acceleration by Multiple Fast Fermi Reflections at Earth’s Bow Shock by Y. Y. Liu, J. B. Cao, C. M. Liu, Y. T. Song, D. K. Hu

“…Eventually, these electrons undergo fast Fermi reflection several times and gain substantial energies. The spacecraft observation of accelerated electrons is reproduced with a numerical method based on the reflection model. …”
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Dynamic and Static Properties of Aqueous NaCl Solutions at 25°C as a Function of NaCl Concentration: A Molecular Dynamics Simulation Study by Song Hi Lee

“…The static and dynamic properties of NaCl (aq) solutions are analyzed in terms of radial distribution functions, hydration numbers, coordination numbers around Na+ and Cl−, residence times of water around Na+ and Cl−, water diffusion, and ion-ion electrostatic energies to explain the behavior of the molar conductivity Λm of NaCl obtained from our MD simulations.…”
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The properties of fluorine-doped graphene-based intermediate band solar cell materials by Lingyun Sun

“…After geometry optimization, the fluorine atom protruded from the graphene plane gone through a deformation of Jahn-Teller. The formation energies are small indicate that the configurations are stable. …”
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Computational Chemistry Study of pH-Responsive Fluorescent Probes and Development of Supporting Software by Ximeng Zhu, Yongchun Wei, Xiaogang Liu

“…Using time-dependent density functional theory (TDDFT), we successfully predicted the fluorescence emission wavelengths of BBP under various protonation states, achieving an average deviation of 6.0% from experimental excitation energies. Molecular dynamics simulations elucidated the microscopic mechanism underlying BBP’s fluorescence quenching under acidic conditions. …”
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Lourdes, haut-lieu du tourisme religieux, entre crise et transition ? by Nathalie Jarraud, Sylvie Clarimont

“…Pour l’instant, la crise semble avoir plutôt exacerbé les tensions parmi les acteurs que suscité une fédération des énergies autour d’un projet commun de transition vers un tourisme plus durable.…”
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Entanglement enabled intensity interferometry in ultrarelativistic ultraperipheral nuclear collisions by James Daniel Brandenburg, Haowu Duan, Zhoudunming Tu, Raju Venugopalan, Zhangbu Xu

“…We propose that a variant of the entanglement enabled intensity interferometry (E^{2}I^{2}) framework introduced by Cotler and Wilczek can provide a powerful alternative to HBT interferometry in extracting fundamental nonperturbative features of quantum chromodynamics at high energies. We apply this framework to demonstrate that the spatial distributions of color singlet (pomeron) configurations in nuclei are sensitive to measurements of exclusive resonant decays of ρ mesons into π^{±} pairs in ultrarelativistic ultraperipheral nuclear collisions (UPCs) at the Relativistic Heavy Ion Collider and the Large Hadron Collider. …”
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Numerical Simulations of the Effect on Aerodynamic Performances of the Inter-propeller Distance in a Contra-rotating Propeller by H. Bentrad, H. Moulai, A. Bekhti, S. Laâzab

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Assessment of Turbulence Models for Flow Simulation around a Wind Turbine Airfoil by Fernando Villalpando, Marcelo Reggio, Adrian Ilinca

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Biosensitivity and Theoretical Electronic Structure Investigations on 3-(2-Hydroxyphenyl)-2-iminothiazolidin-4-one and Its Zn2+ and Cd2+ Metal Complexes by Zewdu Bezu Gemechu, Boobalan Maria Susai, Abi M. Taddesse, Endale Teju Bedada, R. Ramamoorthy

“…Natural bond orbital analysis provides second-order perturbed stabilization interactions, orbital population, and their energies. Other theoretical properties such as hardness, softness, electron affinities, and ionization potential were derived and discussed in detail.…”
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TRANSFORMATION OF PERSON AND SOCIETY IN THE ANTHROPOTECHNICAL TURN: EDUCATIONAL ASPECT by V. N. Vashkevich, O. V. Dobrodum

“…The modern educational system, given the theory of anthropotechnical rotation, should change the content of timological energies from obedience to self-actualization and self-improvement. …”
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Exploring the Pharmacological Potential of Carrageenan Disaccharides as Antitumor Agents: An In Silico Approach by Ohana Leticia Tavares Silva, Monique Gabriela das Chagas Faustino Alves, Hugo Alexandre Oliveira Rocha

“…Molecular docking performed with AutoDock Vina revealed that the binding energies of the disaccharides with carbonic anhydrases were comparable to or greater than those of existing drugs that target these lyases. …”
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Sulfurization- Desulfurization of Iron-Calcium Oxygen Carriers during Chemical Looping Combustion of Syngas by Yu-Lun Chen, Young Ku, Ya-Chun Chang

“…Reduction kinetics for chemical looping combustion of both H2 or CO in syngas with CaFe-378 were adequately described by the 2-dimension diffusion model. The activation energies of H2 and CO with CaFe-378 were determined to be 35.4 kJ mol−1 and 46.0 kJ mol−1, respectively. …”
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Metabolic profiles and potential antioxidant mechanisms of hawk tea by Sixia Jiang, Hong Zhang, Ya Song, Mingji Xiao, Hao Hu, Shirui Yu, Feng Xie

“…Among them, artemisinin, astragalin, isoquercetrin, isoquercitrin, kaempferol-3-glucuronide, and UDP-L-rhamnose exhibited low binding energies to core antioxidant targets such as AKT1, RELA, and MTOR, forming stable conformation. …”
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The Disk Wind Contribution to the Gamma-Ray Emission from the Nearby Seyfert Galaxy GRS 1734−292 by Nobuyuki Sakai, Tomoya Yamada, Yoshiyuki Inoue, Ellis R. Owen, Tomonari Michiyama, Ryota Tomaru, Yasushi Fukazawa

“…Such a detection would substantially improve our understanding of cosmic-ray acceleration efficiency in AGN disk wind systems and would establish radio-quiet Seyfert galaxies as cosmic-ray accelerators capable of reaching ultrahigh energies.…”
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Potential Azo-8-hydroxyquinoline derivatives as multi-target lead candidates for Alzheimer's disease: An in-depth in silico study of monoamine oxidase and cholinesterase inhibitors... by Fatima Zahra Guerguer, Bouchra Rossafi, Oussama Abchir, Yasir S Raouf, Dhabya Bakhit Albalushi, Abdelouahid Samadi, Samir Chtita

“…Molecular dynamics simulations confirmed the stability of these molecules within the active sites of the targets, and MM-GBSA calculations revealed low binding energies, indicating robust interactions. These findings identify molecules 14c and 17c as promising multi-target candidates for the treatment of AD, based on an in-depth computational study aimed at minimizing drug development costs and time. …”
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Spin angular momentum of Gaussian beams with several polarization singularities by A.A. Kovalev, V.V. Kotlyar

“…It is revealed that in this case, the energies of the Laguerre-Gaussian beam and the Gaussian beam are equal to each other. …”
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Structural and Theoretical Studies of 2-amino-3-nitropyridine by N. S. Al-Hokbany, A. A. Dahya, I. Kh. Warad, N. M. Abd El-Salam, S. T. Akriche, M. Rzaiguib, U. Karamac, R. M. Mahfouzc

“…The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule.…”
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Zagadnienie światopoglądu w edukacji ekologicznej by Jacek W. Czartoszewski

“…It should be joined with changing mentality reducing consumption material goods (savings in using up energies and industrial goods) and taking care of remaining for succeeding generations natural environments in better condition than that nowadays. …”
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