“…Finally, the theoretical study showed a correlation between E(HOMO), hardness (η), electrophilicity (W), atomic charge and the inhibition efficiency in which the iodo 7 substituted compound presents the best inhibitor behaviour.…”
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“…For scaling up sizes of the metal deposition, six subnanometer cluster types were selected over a wide range of cluster’s effective coordination number, and their interfaces were differentiated by charge redistributions, structure and adhesion energies, highest occupied molecular orbital–lowest occupied molecular orbital (HOMO-LUMO) gaps, and Schottky barrier heights. Although all considered clusters are semiconducting in the gas phase, 9 out of 28 clusters became (semi)metallic after deposition on the CdS semiconductor surface. …”
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“…The polymer PTz4T-2OD showed an optical band gap of 1.8 eV, a deep HOMO energy level of − 5.58 eV and good solubility. …”
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“…The ichnological analysis confidently assigns the trace to the ichnospecies Hominipes modernus—a hominoid footprint usually related to Homo sapiens. Some particular characteristics of the Pilauco trace include an elongated distal hallux, lateral digit impressions obliterated by the collapsed sediment, and sediment lumps inside and around the trace. …”
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“…GPCRs that coexist in the same cells can homo- and heteromerize, therefore, modulating their function. …”
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“…Most of the studies to identify and study the development of bNAb responses have been performed in individuals who had become infected via homo- or heterosexual HIV-1 transmission; however, the prevalence and characteristics of bNAb responses in injecting drug users (IDUs) have been underrepresented. …”
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“…Based on the density functional theory (DFT) calculation result, pure PCN and CNU-DP(15.0) trimers (interpreted as incorporation of the co-monomer at two different positions) were extensively evaluated and exhibited remarkable structural optimization without the inclusion of any symmetry constraints (the non-modified sample derived from urea, named as CNU), and their optical and electronic properties were also manipulated to control occupation of their respective highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO). …”
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“…The alignment of the three lone pairs leads to a remarkable boost of the HOMO energy and thus of the donor strengths of the tetrylenes. …”
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“…The structures were verified using NMR and cyclic voltammetry measurements provide the HOMO and LUMO of the polymers. The polymer with pyrene (C1) and naphthalene (C3) produced photoluminescence in the green while the polymer with the side chain containing diphenyl (C2) and isopropyl (C6) produce dual emission peaks of blue-green photoluminescence (PL). …”
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“…Our results successfully demonstrate a possibility to functionalize the nanosized, mass-transport-restricted nanogap (nanofocus) of a dimeric gold nanoparticle assembly with homo-(Au) and heterogeneous (Ag, Pt, and Pd) materials. …”
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“…Results of density functional theory calculations reveal that the CA of ketonitrones to Cu(I)-bound cyanamides is a concerted process, and the copper-catalyzed reaction is controlled by the predominant contribution of the HOMO(dipole)–LUMO(dipolarophile) interaction (group I by Sustmann’s classification). …”
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“…The function of the compounds as corrosion inhibitors is explained with equilibrium corrosion potential, adsorption isotherms, and the frontier molecular orbital energies of the compounds (E(HOMO) and E(LUMO)) estimated by cyclic voltammetry curves and UV–visible spectra.…”
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“…The cytochrome b (cytb) sequences were used to identify three blood meal sources: Bos taurus, Homo sapiens and Tamandua tetradactyla. MAIN CONCLUSIONS: Our results demonstrated that sandflies can switch between blood meal sources in differing environments. …”
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“…In addition to 16 conserved A-to-I editing sites, we identified five conserved C-to-U editing sites in miRNAs of Macaca mulatta and Homo sapiens. We also identified 11 SNPs in the miRNAs of Macaca mulatta. …”
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“…Mutants with deleterious SNPs were built using Discovery Studio 3.5, and dynamics studies were performed on native and mutant varieties. RESULTS: In Homo sapiens, 1194 SNPs were found, of which 94 were missense and 2 were nonsense SNPs. …”
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“…The origin of Homo sapiens remains a matter of debate. The extent and geographic patterning of morphological diversity among Late Middle Pleistocene (LMP) African hominins is largely unknown, thus precluding the definition of boundaries of variability in early H. sapiens and the interpretation of individual fossils. …”
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“…This suggests that the ICD of α(3) and β(3) each contain essential anterograde trafficking signals that are required to overcome ER retention of assembled GABA(A) homo- or heteropentamers.…”
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“…We probed several critical residues involved in this interaction and the involvement of the coiled-coil homo-oligomerisation domain into the formation of remorin nanodomains. …”
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“…The results showed that the glucose-6-phosphatase system is poorly represented in the small intestine of rats; on the other hand, significant expressions of glucose-6-phosphate transporter and of the glucose-6-phosphatase were found in the small intestine of guinea pigs and homo sapiens. The activity of the recently described fructose-6-phosphate transporter–intraluminal hexose isomerase pathway was also present in intestinal microsomes from these two species. …”
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“…As a result of this structural transformation, the emission wavelength of Pt(1)Ag(28) red-shifts from 672 to 720 nm, and the HOMO–LUMO energy gap reduces from 1.86 to 1.74 eV. …”
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