“…Here, we show that Aδ- and C-afferent inputs to lamina X neurons are presynaptically inhibited by homo- and heterosegmental afferents as well as by descending fibers from the corticospinal tract, dorsolateral funiculus, and anterior funiculus. …”
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“…Based on the calculation of E(HOMO), E(LUMO), ΔE, and total energy, the performances of organic semiconductor materials without and with doped elements were compared, and it was found that the doping of multi-element Te makes the material have high stability and potential high mobility. …”
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“…Finally, we demonstrated that molecule 2 features with TTH moiety and the inverted selenophene ring outperform other molecules because it exhibits increased HOMO-LUMO gap, planar geometry, and strengthened aromaticity. …”
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“…The influences of GO on the thermodynamic parameters, such as the Gibbs free energy and the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap, were also reported. …”
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“…Through comparison with the analogous dithieno[3,2-b:2′,3′-d]pyrrole (DTP) materials, the effect of replacing DTP with PBTz on the material HOMO energy and visible light absorption is quantified.…”
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“…We present a systematic density functional theory study to determine the electronic structure of bending 2H-MoS(2) layers up to 75° using information from in-situ nanoindentation TEM observations. The results from HOMO/LUMO and density of states plots indicate a metallic transition from the typical semiconducting phase, near Fermi energy level (E(F)) as a function of bending, which can mainly occur due to bending curvatures inducing a stretching and contracting of sulfur-sulfur chemical bonds located mostly over basal (001)-plane; furthermore, molybdenum ions play a major role in such transitions due to reallocation of their metallic d-character orbitals and the creation of “free electrons”, possibly having an overlap between Mo(-dx)(2)(-y)(2) and Mo(dz)(2) orbitals. …”
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“…The spindle assembly abnormal protein 6 (SAS-6) self-assembles into 9-fold radially symmetric ring-shaped oligomers that stack via an unknown mechanism to form the cartwheel. Here, we uncover a homo-oligomerization interaction mediated by the coiled-coil domain of SAS-6. …”
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“…Even more complex are the dimeric bispyrrolidinoindoline epi(poly)thiodioxopiperazines (BPI-ETPs), since they feature transannular (poly)sulfide bridges connecting C3 and C6 of their 2,5-dioxopiperazine rings. Homo- and heterodimers composed of diastereomeric epi(poly)thiodioxopiperazines increase the complexity of the family. …”
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“…Furthermore, 2-(4-fluorophenyl)-1H-benzo[d]imidazole (3f) was selected for a computational study of the IR and NMR spectrum, which matched the experimentally generated spectra. The HOMO-LUMO gap was 4.48, and the Fukui function analysis showed high activity in the reactive sites.…”
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“…This difference in behavior assisted us to achieve the selective activation of triazole C(4)/C(5) positions, not observed before, as supported by the isolation of the homo- and hetero-bimetallic complexes, 5, 6 and 7–9via C(5)- and C(4)-metalation, respectively. …”
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“…We used HPIPred to screen the entire Homo sapiens and Pseudomonas aeruginosa PAO1 proteomes to generate a host-pathogen interactome with 763 interactions displaying a highly connected network topology. …”
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“…Here we use deep network hallucination to generate a wide range of symmetric protein homo-oligomers given only a specification of the number of protomers and the protomer length. …”
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“…Multiply fused dimeric anthriporphyrinoids show helical structures, fully reversible six redox potentials, small HOMO–LUMO gaps, and absorption tails reaching in the near-infrared region, suggesting the high potential of this approach to explore molecular graphene. …”
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“…By introducing electron-withdrawing and -donating R groups to the donor of D–π–A, the observed intramolecular interactions controllable at the HOMO level led to the exploration of radical species. …”
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“…RESULTS: Among 19 patients who underwent reconstruction with the flag flap, 16 hetero-digital flap reconstructions, while 4 homo-digital flap reconstructions were done. We lost one flap, which was used for the same fingertip reconstruction. …”
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“…These derivatives exhibit positive solvatochromism owing to their varied molecular conformations upon contacting to various solvents and the different HOMO-LUMO gaps caused by the difference in electronic push-pull capability of the substituents. …”
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“…First, the asymmetric transformations via LUMO and HOMO activation assisted by a chiral Lewis acid catalyst are reviewed. …”
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“…The DOS diagram and the HOMO, SOMO and LUMO molecular orbitals for these systems were analyzed. …”
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“…The species selectivity of class 2 dihydroorotate dehydrogenase (DHODH), a target enzyme for quinofumelin, was examined. The Homo sapiens DHODH (HsDHODH) assay system was developed to compare the selectivity of quinofumelin for fungi with that for mammals. …”
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“…Notably, the results of inhibition assays with Rpl peptides containing histidine analogues with acyclic side chains, including Asn, Gln and homoGln, suggest the activities of MINA53/NO66, and by implication related 2OG dependent protein hydroxylases/demethylases, might be regulated in vivo by competition with non-oxidised proteins/peptides. …”
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