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Artykuły w czasopismach na temat „Homo-interaction”

Autor: Grafiati

Data publikacji: 3 czerwca 2025

Data aktualizacji: 31 lipca 2025

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1

Nikolenko, Nikolai V. "The Surface Properties of Calcite: An Adsorption Model with Orbital Control." Adsorption Science & Technology 19, no. 3 (2001): 237–44. http://dx.doi.org/10.1260/0263617011494123.

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The energies of unoccupied and occupied orbitals were used as the correlation parameters between the electronic and adsorptive properties of organic molecules. A model describing the chemisorption of organic compounds on CaCO3 involving two types of interaction, i.e. two-electron, donor–acceptor interaction HOMO(adsorbent) → LUMO(adsorbate) and four-electron, three-orbital interaction HOMO(adsorbent) → {LUMO(adsorbate) + HOMO(adsorbate)}, was proposed. It was concluded that strengthening of the bond involved in chemisorption occurred if the energies of the occupied orbitals associated with the

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2

Liu, Longcheng, and Ivars Neretnieks. "Homo-interaction between parallel plates at constant charge." Colloids and Surfaces A: Physicochemical and Engineering Aspects 317, no. 1-3 (2008): 636–42. http://dx.doi.org/10.1016/j.colsurfa.2007.11.055.

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Zariņš, Kristaps, and Emīls Georgs Siders. "Homo Climaticus vs. Homo Religiosus: The Interplay of Archetypes." Religions 15, no. 10 (2024): 1208. http://dx.doi.org/10.3390/rel15101208.

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In the modern era, we increasingly encounter threats and challenges caused by climate change, and as a result, “green” thinking has become a necessity in every person’s life. It is believed that environmentally focused thinking can be invigorated with the help of Homo Climaticus, who is defined as a rational person in a climate crisis. However, it must be recognized that to understand the essence of Homo Climaticus, it must be compared with other archetypes. Within the framework of this article, the authors have evaluated the interaction between Homo Climaticus and Homo Religiosus in the conte

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4

Pershina, A. G., L. M. Ogorodova, A. A. Magaeva, et al. "Sequence-selective binding of oligonucleotides to superparamagnetic cobalt ferrite nanoparticles: a new way to fabricate functional nanoconjugates." RSC Advances 5, no. 33 (2015): 26115–24. http://dx.doi.org/10.1039/c5ra02570b.

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Vektariene, Ausra. "Insights into the Mechanism of the Benzoannelated Thieno[3,2-b]furan Halogenation. Importance of HOMO–HOMO Interaction." Journal of Physical Chemistry A 117, no. 35 (2013): 8449–58. http://dx.doi.org/10.1021/jp402257u.

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Chen, Pengfei, Ying Lu, Hanchao Gao, Mingtao Li, David K. C. Cooper, and Lisha Mou. "Sequence alignment analysis of proteins involved in platelet-endothelial cell interaction identifies molecular incompatibilities between Homo sapiens and Sus scrofa." Journal of Biomedical Engineering and Informatics 3, no. 1 (2017): 51. http://dx.doi.org/10.5430/jbei.v3n1p51.

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Background: Platelets play a vital role in acute humoral xenograft rejection (AHXR) in pig-to-primate xenotransplantation, presenting as microvascular thrombosis in the graft and/or consumptive coagulopathy in the recipient. Adhesion and aggregation of primate platelets to the activated vascular endothelial cells through sequential binding of ligands on endothelial cells and subendothelial matrix ultimately trigger a complex biological process of prothrombotic signaling cascades. Increasing evidence suggests that the molecular incompatibilities in effector molecules across species may partiall

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7

Liu, Dong, Yuan Shui, and Tao Yang. "Geometries, Electronic Structures, Bonding Properties, and Stability Strategy of Endohedral Metallofullerenes TM@C28 (TM = Sc−, Y−, La−, Ti, Zr, Hf, V+, Nb+, Ta+)." Inorganics 12, no. 2 (2024): 40. http://dx.doi.org/10.3390/inorganics12020040.

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We performed quantum chemical calculations on the geometries, electronic structures, bonding properties, and stability strategy of endohedral metallofullerenes TM@C28 (TM = Sc−, Y−, La−, Ti, Zr, Hf, V+, Nb+, Ta+). Our calculations revealed that there are three different lowest-energy structures with C2v, C3v, and Td symmetries for TM@C28. The HOMO–LUMO gap of all these structures ranges from 1.35 eV to 2.31 eV, in which [V@C28]+ has the lowest HOMO–LUMO gap of 1.35 eV. The molecular orbitals are mainly composed of fullerene cage orbitals and slightly encapsulated metal orbitals. The bonding an

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8

Shen, Xiaoshuang, Chao Mei, Yuxue Zhou, Weiwei Xia, Min Zhou, and Xianghua Zeng. "Controlled formation of nanoparticle clusters mediated by electrostatic interaction." RSC Adv. 4, no. 81 (2014): 43105–9. http://dx.doi.org/10.1039/c4ra07472f.

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A general strategy for high yield fabrication of homo- and hetero-nanoparticle clusters with controlled configuration and inter-particle gap through a self-assembly process mediated by electrostatic interaction was reported.

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9

Beckwith, Athelstan L. J., and Peter J. Duggan. "The quasi-homo-anomeric interaction in substituted tetrahydropyranyl radicals: Diastereoselectivity." Tetrahedron 54, no. 24 (1998): 6919–28. http://dx.doi.org/10.1016/s0040-4020(98)00373-1.

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10

Keating, E. "Homo prostheticus: problematizing the notions of activity and computermediated interaction." Discourse Studies 7, no. 4-5 (2005): 527–45. http://dx.doi.org/10.1177/1461445605054405.

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11

Chmil, Hanna, Nadiia Korablova, Oleksandr Bezruchko, and Nataliia Zhukova. "Homo villicus in the cinema environment." Convergences - Journal of Research and Arts Education 17, no. 33 (2024): 123–42. http://dx.doi.org/10.53681/c1514225187514391s.33.235.

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The relevance of the topic of Homo villicus lies in its capacity to disrupt conventional paradigms of human representation and cultural understanding within the sphere of symbolism. The aim of this study is to investigate Homo villicus within the realm of symbolic representation, examining its unique characteristics and its role in contemporary philosophical discourse. The study employs a multidisciplinary approach, encompassing literature review, conceptual analysis, discourse analysis, case studies, content analysis, comparative analysis, psychological assessments, ethical considerations, an

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12

Pidporinova, Kateryna. "Remixing as a Ludus-Component of the Modern Culture." Studia Universitatis Babeş-Bolyai Musica 68, no. 2 (2023): 63–74. http://dx.doi.org/10.24193/subbmusica.2023.2.04.

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"The modern development of culture motivates the appearance of new modifications of the play element, based on the concept of Homo Ludens by J. Huizinga. The article substantiates a new scientific concept – remixing as the dominant principle of the organization of artistic matter. A definition of this concept is provided. The specificity of its manifestation is thought over using examples from pop culture, academic musical art (in particular, the creativity of the pianist-composer M.-A. Hamelin, the sketch duo Igudesman & Joo, the Rondo Veneziano orchestra), authentic performance, the oper

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13

Shekarkhand, Marzieh, Karim Zare, Majid Monajjemi, Elham Tazikeh-Lemeski, and Masoumeh Sayadian. "Computational study of heterocyclic anticancer compounds through nbo method." Nexo Revista Científica 35, no. 01 (2022): 367–81. http://dx.doi.org/10.5377/nexo.v35i01.13982.

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In the present study NBO method contain the HOMO and the LUMO energies are calculated for 10 different heterocycles anticancer drug using B3LYP/6-31G(d,p). Frontier molecular orbitals (HOMO and LUMO) and Molecular Electrostatic Potential map of the compound was produced by using the π stacking of structures and anticancer activity of molecules. The NBO analysis was suggested that the molecular system contains π- π interaction, strong conjugative interactions and the molecule become more polarized owing to the movement of π-electron cloud from donor to acceptor. NBO, HOMO and LUMO energies, wer

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14

Castronuovo, Giuseppina, Vittorio Elia та Michela Magliulo. "Chiral recognition in aqueous solutions at 25 °C. A calorimetric study of the interaction between enantiomeric α-amino acids of different alkyl chain length". Canadian Journal of Chemistry 69, № 5 (1991): 794–97. http://dx.doi.org/10.1139/v91-118.

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Cross-homo- and cross-heterotactic enthalpic coefficients, [Formula: see text] respectively, were determined at 25 °C, measuring the enthalpies of dilution of ternary aqueous solutions containing two different α-amino acids of the same or different chirality. Differences of about 200–300 J mol−2 kg between cross-homo- and cross-heterotactic coefficients were found, well beyond the experimental uncertainty. The role of the zwitterionic interaction, already proposed to explain the nature of chiral recognition, was strengthened. Key words: α-amino acids, excess enthalpy, chiral recognition.

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15

Ailon, Galit. "The Phenomenology of Homo Economicus." KANT Social Sciences & Humanities 8, no. 4 (2021): 16–31. http://dx.doi.org/10.24923/2305-8757.2021-8.2.

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Much has been written about the fictitious nature of the atomistic model of homo economicus. Nevertheless, this economic model of self-interest and egoism has become conventional wisdom in market societies. This article offers a phenomenological explanation for the model's commonsensical grip. Building on the work of Alfred Schutz, I argue that a reliance on homo economicus as an interpretive scheme for making sense of the behavior of economic Others has the effect of reversing the meaning of signs and doubts that challenge the model's assumptions. Moreover, it orients social action in ways th

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16

Bachrach, Steven M., and Andrew Streitwieser. "Electron density analysis of the reaction of aldehydes with lithium hydride. The general importance of the HOMO-HOMO interaction." Journal of the American Chemical Society 108, no. 14 (1986): 3946–51. http://dx.doi.org/10.1021/ja00274a015.

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17

Kok, Hwee Chia. "Wild Men or Homo Neanderthalensis? What does the Chinese Paleo-Mythology tell Us about Their Interaction with Homo Sapiens." ISRG Journal of Humanities and Cultural Studies (ISRGJHCS) II, no. I (2025): 66–75. https://doi.org/10.5281/zenodo.14881236.

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<strong>Abstract</strong> <em>Paleo-mythology - a term coined by the author - to describe the study of ancient myths and legends that date back to prehistoric times, often reflecting the interpretations of early human communities about their environment (nature), origins, and interactions with other human-like species as well as animals. This paper explores how paleo-mythology intersects with paleo-anthropology, particularly in understanding the relationship between Homo sapiens and the archaic Homo neanderthalensis (Neanderthals). This paper hypothesizes that certain Chinese mythological bein

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18

Zauner, A. R. A., J. J. Schermer, W. J. P. van Enckevort, et al. "Homo-epitaxial growth on misoriented GaN substrates by MOCVD." MRS Internet Journal of Nitride Semiconductor Research 5, S1 (2000): 425–31. http://dx.doi.org/10.1557/s1092578300004592.

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The N-side of GaN single crystals with off-angle orientations of 0°, 2°, and 4° towards the [100] direction was used as a substrate for homo-epitaxial MOCVD growth. The highest misorientation resulted in a reduction of the density of grown hillocks by almost two orders of magnitude as compared with homo-epitaxial films grown on the exact (000) surface. The features still found on the 4° misoriented sample after growth can be explained by a model involving the interaction of steps, introduced by the misorientation and the hexagonal hillocks during the growth process.

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19

HINO, S., Y. OKADA, K. IWASAKI, M. KIJIMA, and H. SHIRAKAWA. "ELECTRONIC STRUCTURES OF LINEAR CARBON CHAIN MOLECULES." Surface Review and Letters 09, no. 02 (2002): 1263–67. http://dx.doi.org/10.1142/s0218625x02003676.

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Photoelectron spectra of compounds having a linear carbon chain terminated by phenyl groups to stabilize the chain have been measured. The spectra consist of the contribution of phenyl groups and that of the chain part, which indicates small interaction between them. The highest occupied molecular orbital (HOMO) of these compounds derives from the carbon chain part. The longer the chain length becomes, the lower the binding energy of the HOMO. This fact implies the instability of a very long linear carbon chain. The spectra are well explained with the aid of semiempirical molecular orbital cal

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20

Diogo, M. M., D. M. F. Prazeres, N. G. Pinto, and J. A. Queiroz. "Hydrophobic interaction chromatography of homo-oligonucleotides on derivatized Sepharose CL-6B." Journal of Chromatography A 1006, no. 1-2 (2003): 137–48. http://dx.doi.org/10.1016/s0021-9673(03)00918-x.

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Diogo, M. M., J. A. Queiroz, and D. M. F. Prazeres. "Hydrophobic interaction chromatography of homo-oligonucleotides on derivatized Sepharose CL-6B." Journal of Chromatography A 944, no. 1-2 (2002): 119–28. http://dx.doi.org/10.1016/s0021-9673(01)01388-7.

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22

Ailon, Galit. "The Phenomenology of Homo Economicus." Sociological Theory 38, no. 1 (2020): 36–50. http://dx.doi.org/10.1177/0735275120904981.

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Much has been written about the fictitious nature of the atomistic model of homo economicus. Nevertheless, this economic model of self-interest and egoism has become conventional wisdom in market societies. This article offers a phenomenological explanation for the model’s commonsensical grip. Building on the work of Alfred Schutz, I argue that a reliance on homo economicus as an interpretive scheme for making sense of the behavior of economic Others has the effect of reversing the meaning of signs and doubts that challenge the model’s assumptions. Moreover, it orients social action in ways th

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23

Nesprava, Mykola, Mykhailo Rizak, Vladlen Volkov, Oksana Voluiko, and Yevhenii Skrypa. "Christian interpretation of anthropological guidelines for lawmaking." Cuestiones Políticas 38, Especial (2020): 511–22. http://dx.doi.org/10.46398/cuestpol.3865.35.

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The objective of the article is to reveal the main foundations of human creation enshrined in Christian doctrine, which serve as axiological guidelines for the elaboration of laws, providing a humanistic content of the law. The research methodology is based on dialectical, formal-dogmatic, sociological, comparative-legal and documentary methods. The results of the study demonstrate that theocentrism and anthropocentrism are not opposed to each other in Christianity, but rather are combined into an integrated theological and anthropological picture of a man. Considering this prism of legal cons

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24

Tudor, Spataru. "The Electronic Structure and Mechanism of the Adenosylcobalamin-Dependent Bio-Processes as Determined by the MCSCF Method." Medicinal Chemistry 11, no. 8 (2021): 11. https://doi.org/10.5281/zenodo.10669291.

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The CASSCF geometry optimization of the adenosylcobalamin cofactor dependent processes common models with 12 orbitals and 12 electrons in the active space has been performed. The MCSCF geometry optimization shows a strong HOMO-LUMO coupling during the CASSCF orbitals mixing process. The HOMO-LUMO coupling causes an electronic density transfer from the HOMO, which at the beginning of the optimization process is constituted from the substrate atoms orbitals, to the LUMO, which is constituted from the adenosylco(III)balamin structure atomic orbitals. The Co-C bond cleavage reaction is starting fr

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25

Wang, Yan, Yongle Han та Lifang Zhang. "Binary catalytic system for homo- and block copolymerization of ε-caprolactone with δ-valerolactone". RSC Advances 10, № 43 (2020): 25979–87. http://dx.doi.org/10.1039/d0ra04974c.

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The combined interaction of 2,3,6,7-tetrahydro-5H-thiazolo[3,2-a] pyrimidine (ITU) as the organocatalytic nucleophile with YCl<sub>3</sub> as Lewis acid cocatalyst, generating ITU/YCl<sub>3</sub>, was employed for homo- and copolymerization of CL with VL.

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Chakraborty, Saptarshi, Haridas Kar, Amrita Sikder, and Suhrit Ghosh. "Steric ploy for alternating donor–acceptor co-assembly and cooperative supramolecular polymerization." Chemical Science 8, no. 2 (2017): 1040–45. http://dx.doi.org/10.1039/c6sc02640k.

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The presence of a bulky peripheral wedge destabilizes the homo-assembly of an amide functionalized acceptor monomer and thereby enables alternating supramolecular copolymerization with an amide appended donor monomer via the synergistic effect of H-bonding and the charge-transfer interaction.

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Guo, Y. N., X. B. Hu, H. G. Zhang, Y. F. Han, and H. Wang. "Synthesis, Crystal Structures, Photophysical Properties and Antibacterial Activities of Copper(II) Complex Derived from 4-Chloro-2-{[(2,6-dimethylphenyl)imino]methyl}phenol." Журнал структурной химии 65, no. 5 (2024): 126185. http://dx.doi.org/10.26902/jsc_id126185.

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A new asymmetrical Schiff base ligand, (E)-4-chloro-2-{[(2,6-dimethylphenyl)amino] methyl}phenol(HL), and its mononuclear Cu(Ⅱ) complex have been synthesized. The molecular structures and spectroscopic properties of the ligand and its complex were experimentally characterized by single crystal X-ray diffraction, elemental analysis, FT-IR, NMR and UV-Vis spectroscopic techniques. The analysis confirmed that the Cu atom in complex is generally four-coordinated by one imino N and one phenolic O atoms of a Schiff-base ligand adopting a trans-configuration of N2O2 donor atoms around the metal ion,

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Bouhedja, Mourad, Karim Dinar, Khalil Sahra, Tahir Habila та Mohamed Zakaria Stiti. "Theoretical study of inclusion complex between R/S-1-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-methyl-3-phenylsulfonylurea and β-cyclodextrin". Brazilian Journal of Health Review 7, № 9 (2024): e76228. https://doi.org/10.34119/bjhrv7n9-464.

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The inclusion process between β-cyclodextrin (β-CD) and R/S-1[1-(5-chloro-2-methoxyphenyl)ethyl]-3-methyl-3-phenylsulfonylurea (B16) has been investigated by using different methods of molecular modeling such as PM6 and ONIOM hybrid methods, to determine the most important interaction taking place in the inclusion complexation, deformation of molecules, HOMO and LUMO energies. In this study we took into account only the stoichiometry 1:1, two models of inclusion complex were built: A and B orientations. According to the results obtained from PM6 and ONIOM2 methods in a vacuum, the inclusion co

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YU, XIAOQING, CONGJUN WU, CHUI-LIN WANG, and ZHAO-BIN SU. "ELECTRONIC AND STRUCTURAL PROPERTIES OF C36 MOLECULE." International Journal of Modern Physics B 13, no. 12 (1999): 1513–23. http://dx.doi.org/10.1142/s0217979299001557.

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The extended SSH model and Bogoliubov–de–Gennes (BdeG) formalism are applied to investigate the electronic properties and stable lattice configurations of C 36. We focus the problem on the molecule's unusual D6h symmetry. The electronic part of Hamiltonian without Coulomb interaction is solved analytically. We found that the gap between HOMO and LUMO is small due to the long distance hopping between the 2nd and 5th layers. The charge densities of HOMO and LUMO states are mainly distributed in the two layers, that causes a large splitting between the spin triplet and singlet excitons. The diffe

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30

GUO, Z. Z., and XIAO-WEI WU. "DAMAGE SPREADING ON THE HOMO- AND HETERO-CELL LATTICES WITH COMPETING GLAUBER AND KAWASAKI DYNAMICS." International Journal of Modern Physics B 22, no. 16 (2008): 2545–55. http://dx.doi.org/10.1142/s0217979208038508.

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The damage spreading of the Ising model on the homo- and hetero-cell lattices (here the topological hexagonal lattice and the 4–8 lattice) with competing Glauber (G-) and Kawasaki (K-) dynamics is studied and the results are compared. For the homo-cell lattice, we pay attention to the pure K-dynamics or the cases in which the K-dynamics is dominant. We get four main conclusions related to the K-dynamics through our calculations: (1) the damage always spreads as long as Kawasaki dynamics is dominant during the competition of two dynamics; (2) the relation for the saturation damage, 〈s〉∞ = 0.5,

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31

Haarmann, Harald. "The challenge of the abstract mind: symbols, signs and notational systems in European prehistory." Documenta Praehistorica 32 (December 31, 2005): 221–32. http://dx.doi.org/10.4312/dp.32.17.

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Since the earliest manifestations of symbolic activity in modern humans (Homo sapiens sapiens) in the Upper Palaeolithic, there is evidence for two independent cognitive procedures, for the production of representational images (naturalistic pictures or sculptures) and of abstract signs. The use of signs and symbols is attested for archaic humans (Homo neanderthalensis) and for Homo erectus while art in naturalistic style is an innovation among modern humans. The symbiotic interaction of the two symbolic capacities is illustrated for the visual heritage of Palaeolithic cave paintings in Southw

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Qing, Xiaoyu, Qian Wang, Hanyu Xu, Pei Liu, and Luhua Lai. "Designing Cyclic-Constrained Peptides to Inhibit Human Phosphoglycerate Dehydrogenase." Molecules 28, no. 17 (2023): 6430. http://dx.doi.org/10.3390/molecules28176430.

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Although loop epitopes at protein-protein binding interfaces often play key roles in mediating oligomer formation and interaction specificity, their binding sites are underexplored as drug targets owing to their high flexibility, relatively few hot spots, and solvent accessibility. Prior attempts to develop molecules that mimic loop epitopes to disrupt protein oligomers have had limited success. In this study, we used structure-based approaches to design and optimize cyclic-constrained peptides based on loop epitopes at the human phosphoglycerate dehydrogenase (PHGDH) dimer interface, which is

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Oh, Teresa, Kwang Man Lee, Kyung Sik Kim, Sung Bo Oh, Won Hyung Kim, and Chi Kyu Choi. "HOMO-LUMO Interaction between Diene and Dienophile with an Electron-Withdrawing Group." Key Engineering Materials 277-279 (January 2005): 983–89. http://dx.doi.org/10.4028/www.scientific.net/kem.277-279.983.

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Recently, the carbon-centered organic system with C-H hydrogen bonds is being examined and reported with particular focus on its chemical shifts. These properties are traditionally associated with the red shifted hydrogen bond due to the weak interaction of C-H hydrogen bonds. In a few cases, however, the strengthening of the C-H bond is characterized by the blue shift. In this study, organic-inorganic hybrid silica and fluorinated amorphous carbon films have been deposited on a p-type Si (100) substrate by inductively coupled plasma chemical vapor deposition. The reason for the chemical shift

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Panwar, Sourabh, Kummari Kesava, Shobhit Srivastava, M. Shashidhara, Sandeep Rankawat, and Abhishek Acharya. "Performance optimization of III–V homo/heterojunction line TFET: Device-circuit Interaction." Solid-State Electronics 229 (November 2025): 109158. https://doi.org/10.1016/j.sse.2025.109158.

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Boyarsky, Oleksandr. "Formation of the phenomenology of municipal man within civil society and the state." Law Review of Kyiv University of Law, no. 2 (August 10, 2020): 110–18. http://dx.doi.org/10.36695/2219-5521.2.2020.18.

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The article analyzes the concept of a municipal person in the contextualization of the formation of its phenomenology within civilsociety and the state. It is proved that the processes of existence, formation, development and improvement of an autonomous civil societyare accompanied by the close interaction of homo municipalis and homo politicus – and the role of homo municipalis in this processis primary and decisive. Based on the above guidelines, the definition of homo municipalis is proposed. The phenomenon of “municipalperson” should be understood as an individual who has different legal

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36

Talamo, Sahra. "The upgrade in human evolution? It’s a matter of TIME!" Project Repository Journal 11, no. 1 (2021): 20–23. http://dx.doi.org/10.54050/prj1117744.

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The upgrade in human evolution? It’s a matter of TIME! RESOLUTION aims to achieve an accurate and highly resolved chronology back to 55,000 years BP (Before Present), to establish the timing of when Homo sapiens arrived in Europe, their interaction with Neanderthals and the final cause of Neanderthal extinction.

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Niemiec, Piotr Jan. "The electronic structure of phosphotungstic (H3PW12O40) heteropolyacids modified by Fe2+ cation." Science, Technology and Innovation 11, no. 4 (2021): 24–32. http://dx.doi.org/10.5604/01.3001.0014.7530.

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In this paper the influence of substituting the tungsten atom with an iron ion in the primary structure of the phosphotungstic heteropolyacid with the Keggin anion structure was investigated. Characterization of the electronic structure of the modified heteropolyacid was performed using: population analysis according to NBO scheme, total (TDOS) and partial (PDOS) density of states spectra, energy and chemical character of frontier orbitals (HOMO / LUMO) and the size of the HOMO-LUMO band gap. Additionally, the mechanism of interaction between the Fe2+ with H2O molecule, acting as a chemical re

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38

Weiss, Robert, та Andreas M. H. Grimmeiss. "Outer-sphere-CT-Wechselwirkungen zwischen einem organischen π-Radikaldikation und Hauptgruppenelement-Hexahalogenat-Komplexen / Outer-Sphere-CT-Interactions between an Organic π-Radical Dication and Main-Group Hexahalogenate Complexes". Zeitschrift für Naturforschung B 44, № 11 (1989): 1447–50. http://dx.doi.org/10.1515/znb-1989-1120.

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1:1-Electrolytes of the type [tris(dimethylamino)cyclopropendiylium]2+ElX62- have been synthesized for the first time (El = Sn, Te; X = Cl, Br). Analysis of their UV spectra points to a novel OSCT-interaction within these ion pairs in which the complex anion acts as the donor. With 48-electron systems as SnX62- the bromo complex is the better donor than the chloro complex whereas with 50-electron systems TeX62- the reverse behaviour is observed. These contrasting tendencies can be explained by a simple MO model, according to which SnX62- anions interact with the organic acceptor via a HOMO of

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39

Jackson, Wesley, та Jonathan M. White. "X-Ray Structural Analysis of Ester and Ether Derivatives of 4,5-endo,endo-9,10-Dimethanonaphthalene-11-ol: Evidence for π - σCO* Participation in the Ground State". Australian Journal of Chemistry 61, № 12 (2008): 956. http://dx.doi.org/10.1071/ch08402.

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Application of the variable oxygen probe to the polycyclic alcohol 11 and its crystalline ester and ether derivatives provides evidence for a weak interaction between the neighbouring homo-allylic π-system and the C–OR bond; there is no evidence for interaction with the remote π-system. Analysis of the carbon–carbon bond distances in 11–14 reveals structural effects consistent with the manifestation of one of the two possible retro-Diels–Alder reactions in the ground state.

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Venkatakrishnan, A. J., Emmanuel D. Levy, and Sarah A. Teichmann. "Homomeric protein complexes: evolution and assembly." Biochemical Society Transactions 38, no. 4 (2010): 879–82. http://dx.doi.org/10.1042/bst0380879.

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Homo-oligomeric protein complexes are functionally vital and highly abundant in living cells. In the present article, we review our current understanding of their geometry and evolution, including aspects of the symmetry of these complexes and their interaction interfaces. Also, we briefly discuss the pathway of their assembly in solution.

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Kraynov, Andrey L. "Industry 5.0 as a triumph of posthumanism: From Homo Sapiens to Homo Digitalis." Izvestiya of Saratov University. Philosophy. Psychology. Pedagogy 24, no. 3 (2024): 279–83. http://dx.doi.org/10.18500/1819-7671-2024-24-3-279-283.

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Introduction. The article is devoted to the problem of transformation of a man into a post-human due to the emergence of the fifth industrial revolution. The digitalization processes inherent in industry 4.0 have become so firmly entrenched in human everyday life that they change it from the inside. Interaction with artificial intelligence and cobots creates a post-human future, and implantation of a chip in the brain creates a post-human. Theoretical analysis. The industry 5.0 phenomenon is associated with the active use of robotics and artificial intelligence in all spheres of human activity

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Koslowski, Berndt, Anna Tschetschetkin, Norbert Maurer, Elena Mena-Osteritz, Peter Bäuerle, and Paul Ziemann. "Terthiophene on Au(111): A scanning tunneling microscopy and spectroscopy study." Beilstein Journal of Nanotechnology 2 (September 9, 2011): 561–68. http://dx.doi.org/10.3762/bjnano.2.60.

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Terthiophene (3T) molecules adsorbed on herringbone (HB) reconstructed Au(111) surfaces in the low coverage regime were investigated by means of low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS) under ultra-high vacuum conditions. The 3T molecules adsorb preferentially in fcc regions of the HB reconstruction with their longer axis oriented perpendicular to the soliton walls of the HB and at maximum mutual separation. The latter observation points to a repulsive interaction between molecules probably due to parallel electrical dipoles formed during adsorption. Constant-

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43

Chroni, Angeliki, and Stergios Pispas. "Nano-Sized Polyelectrolyte Complexes Formed between Poly(vinyl benzyl trimethyl ammonium chloride) and Insulin." Micro 2, no. 2 (2022): 313–24. http://dx.doi.org/10.3390/micro2020020.

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Novel biohybrid homo-polyelectrolyte-based nanocarriers were formed by the complexation of insulin (INS) with a biocompatible and cationic polyelectrolyte, namely, poly(vinyl benzyl trimethylammonium chloride) (PVBTMAC). According to light-scattering techniques, the hydrophilic PVBTMAC homo-polyelectrolyte forms single chains in aqueous media. The resulting biohybrid PVBTMAC/INS nanocarriers were formed via electrostatic co-assembly. The effects of polyelectrolyte structure and content on the characteristics of the formed PVBTMAC/INS complexes were studied. A significant aggregation tendency o

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Nafiu, Suleiman, Vitus Atanga Apalangya, Abu Yaya, and Edward Benjamin Sabi. "Boron Nitride Nanotubes for Curcumin Delivery as an Anticancer Drug: A DFT Investigation." Applied Sciences 12, no. 2 (2022): 879. http://dx.doi.org/10.3390/app12020879.

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The electrical properties and characteristics of the armchair boron nitride nanotube (BNNT) that interacts with the curcumin molecule as an anticancer drug were studied using ab initio calculations based on density functional theory (DFT). In this study, a (5,5) armchair BNNT was employed, and two different interactions were investigated, including the interaction of the curcumin molecule with the outer and inner surfaces of the BNNT. The adsorption of curcumin molecules on the investigated BNNT inside the surface is a more favorable process than adsorption on the outside surface, and the more

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45

WANG, XINGYUAN, ZHENZHEN LIU, and MOGEI WANG. "THE CORRELATION FRACTAL DIMENSION OF COMPLEX NETWORKS." International Journal of Modern Physics C 24, no. 05 (2013): 1350033. http://dx.doi.org/10.1142/s0129183113500332.

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The fractality of complex networks is studied by estimating the correlation dimensions of the networks. Comparing with the previous algorithms of estimating the box dimension, our algorithm achieves a significant reduction in time complexity. For four benchmark cases tested, that is, the Escherichia coli (E. Coli) metabolic network, the Homo sapiens protein interaction network (H. Sapiens PIN), the Saccharomyces cerevisiae protein interaction network (S. Cerevisiae PIN) and the World Wide Web (WWW), experiments are provided to demonstrate the validity of our algorithm.

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Alhony, Zinab Ibrahim, and Fathi Hassan Bawa. "MgO Cluster Models for Capture CO2 Molecule." European Journal of Engineering Research and Science 5, no. 8 (2020): 915–21. http://dx.doi.org/10.24018/ejers.2020.5.8.1900.

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The density functional theory (DFT) method was used to study the adsorption of acidic CO2 molecule on the oxide clusters (MgO)n , (n = 2, 4, 6, 8, 9 and 12). Basis sets, 6–311 G, 6–311G (d) and 6–311G (2d) were employed in order to test the effect on adsorption structures and binding energies. Both and adsorption sites have been considered. Our previous calculation DFT energies have been achieved for the (MgO)n, (CaO)n, (n = 1–4, 6, 8, 9, and 12 clusters), [WJERT, 2019, Vol.5, Issue 1, 328-341]. The present work investigates the adsorption properties (e.g., adsorption energies, geometries and

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Alhony, Zinab Ibrahim, and Fathi Hassan Bawa. "MgO Cluster Models for Capture CO2 Molecule." European Journal of Engineering and Technology Research 5, no. 8 (2020): 915–21. http://dx.doi.org/10.24018/ejeng.2020.5.8.1900.

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The density functional theory (DFT) method was used to study the adsorption of acidic CO2 molecule on the oxide clusters (MgO)n , (n = 2, 4, 6, 8, 9 and 12). Basis sets, 6–311 G, 6–311G (d) and 6–311G (2d) were employed in order to test the effect on adsorption structures and binding energies. Both and adsorption sites have been considered. Our previous calculation DFT energies have been achieved for the (MgO)n, (CaO)n, (n = 1–4, 6, 8, 9, and 12 clusters), [WJERT, 2019, Vol.5, Issue 1, 328-341]. The present work investigates the adsorption properties (e.g., adsorption energies, geometries and

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Cao, Guo-Jin. "Structural and Electronic Properties of U5M+ and T5M+ (U = Uracil, T = Thymine, M = Ag and Au) Cluster Cations." Crystals 14, no. 10 (2024): 865. http://dx.doi.org/10.3390/cryst14100865.

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The geometric and electronic structures and the bonding of U5M+ and T5M+ (U = uracil, T = thymine, M = Ag, Au) cluster cations have been investigated with density functional theory methods. They have a perfectly planar structure with C5h symmetry and significant stability, containing self-complementary N-H···O hydrogen bonds and five Au-O or Ag-O contacts. The energy gap between the LUMO and HOMO in the U5Ag+ cluster is 4.2 eV, which is twice as large as the HOMO-LUMO gap observed in the U5Au+ cluster. This notable difference clearly indicates that the U5Ag+ cluster possesses substantially gre

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Trung, Truong Tan, Tan Khanh Nguyen, Nguyen Phuong Dong, Le Thi Thu Thuy, Cao Van Du, and Linh Tran. "Investigation of ZINC85862539_679 to inhibit SARS‐CoV‐2 main protease: DFT calculation and molecular docking." Vietnam Journal of Chemistry 61, no. 4 (2023): 412–20. http://dx.doi.org/10.1002/vjch.202200096.

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AbstractIn this study, the molecular geometry structure of ZINC85862539_679 compound was performed by density functional theory (DFT) calculation at B3LYP level 6‐311++G(d,p) basis set. The energies gap of HOMO‐LUMO (highest occupied molecular orbital, HOMO and lowest unoccupied molecular orbital, LUMO) of ZINC85862539_679, and chemical reactivity descriptors were also investigated. The molecular electrostatic potential (MEP) has also been carried out using the DFT method. Additionally, the inhibition of ZINC85862539_679 on the main protease (Mpro) of SARS‐CoV‐2 was investigated using molecula

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Minton, Allen P. "Quantitative Characterization of Nonspecific Interactions Between Macromolecules in Complex Media: Comparison of Experiment, Theory, and Simulation." Biophysica 5, no. 3 (2025): 25. https://doi.org/10.3390/biophysica5030025.

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A brief summary of the effect of nonspecific interactions upon chemical equilibria in solutions containing a high total concentration of macromolecular solutes comparable to that found in biological fluid media is presented. Analyses of experimental measurements permitting relatively direct quantitation of the free energy of nonspecific intermolecular interaction in solutions of one or two macrosolutes are described, and a table listing published experimental studies of both homo- and hetero-interactions is provided. Methods for calculating the free energy of nonspecific interaction via theory

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