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  1. 1321
    “…Evidence of mobiliary art and body augmentation are associated with the cultural innovations introduced by Homo sapiens at the beginning of the Upper Paleolithic. …”
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    A 41,500 year-old decorated ivory pendant from Stajnia Cave (Poland)
  2. 1322
    “…The results of the study reveal the Cr-doped tungsten oxide/graphene composites, g-CrW(n–1)O(3n) (n = 2 to 4), to have a lowered highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) energy gap, high surface reactivity, and a strong cluster–graphene binding energy, hence exhibiting a strong adsorption interaction with CO. …”
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    Theoretical Study of CO Adsorption Interactions with Cr-Doped Tungsten Oxide/Graphene Composites for Gas Sensor Application
  3. 1323
    “…In this study, we quantified 73 primary and secondary metabolites in nine hetero-grafts and six homo-grafted controls 33 days after grafting at the graft interface and in both the scion and rootstock woody tissues. …”
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    Identifying early metabolite markers of successful graft union formation in grapevine
  4. 1324
    “…When interacting with the PAH, the lone pair-type highest occupied molecular orbital (HOMO) of water has poor orbital overlap and is too low in energy to mix with the filled π-orbitals of the PAH. …”
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    Polycyclic Aromatic Hydrocarbons (PAHs) in Interstellar Ices: A Computational Study into How the Ice Matrix Influences the Ionic State of PAH Photoproducts
  5. 1325
    “…The electronic properties such as HOMO and LUMO energies, HOMO–LUMO energy gap, Fermi level, work function, and conductivity significantly changed after the adsorption of SO(2) gas on the nanosheets except for PG, whereas these parameters remain almost the same after the adsorption of the CO gas molecule. …”
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    In-plane graphene/boron nitride heterostructures and their potential application as toxic gas sensors
  6. 1326
    “…It is worth mentioning that in all complexes, a significant difference in the E(HOMO–LUMO) gap was seen when electronic transitions occurred from the analyte to the C(2)N surface.…”
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    The C(2)N surface as a highly selective sensor for the detection of nitrogen iodide from a mixture of NX(3) (X = Cl, Br, I) explosives
  7. 1327
    por Andirkó, Alejandro, Boeckx, Cedric
    Publicado 2022
    “…While previous research has explored the effects of introgressed variants in gene expression, the effects of Homo sapiens-specific gene expression variability are still understudied. …”
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    Brain region-specific effects of nearly fixed sapiens-derived alleles
  8. 1328
    “…Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) showed that the highest occupied molecular orbital (HOMO) of dyes is distributed on the donor unit. In contrast, the lowest unoccupied molecular orbital (LUMO) is mainly placed on the acceptor unit to reveal that the HOMO–LUMO transition has a great ICT character.…”
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    AIE and reversible mechanofluorochromism characteristics of new imidazole-based donor–π–acceptor dyes
  9. 1329
    por Zhao, Nan, Zhuo, Maji, Tian, Kun, Gong, Xinqi
    Publicado 2022
    “…For protein–protein non-interactions (PPNIs), the proposed method obtained accuracies of 86.23% for Homo sapiens and 85.34% for Mus musculus, and it performed well on three types of non-interaction networks. …”
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    Protein–protein interaction and non-interaction predictions using gene sequence natural vector
  10. 1330
    “…For both complexes, density functional theory calculations identified one mechanism for homo coupling and four different ones for cross coupling. …”
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    Origin of the different reactivity of the high‐valent coinage‐metal complexes [RCu( iii )Me(3)](−) and [RAg( iii )Me(3)](−) (R=allyl)
  11. 1331
    “…Here we demonstrate that, when overexpressed, DinB1 promotes missense mutations conferring resistance to rifampicin, with a mutational signature distinct from that of DnaE2, and abets insertion and deletion frameshift mutagenesis in homo-oligonucleotide runs. DinB1 is the primary mediator of spontaneous −1 frameshift mutations in homo-oligonucleotide runs whereas DnaE2 and DinBs are redundant in DNA damage-induced −1 frameshift mutagenesis. …”
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    Distinctive roles of translesion polymerases DinB1 and DnaE2 in diversification of the mycobacterial genome through substitution and frameshift mutagenesis
  12. 1332
    “…Electronic properties such as HOMO, LUMO, HOMO–LUMO gaps and global reactivity descriptors are reported at the PBE1PBE/6-311g(d,p) level of theory. …”
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    Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies
  13. 1333
    “…Moreover, it increases the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the molecule by imposing different electrostatic gating on the delocalized HOMO and localized LUMO, leading to a lower conductance compared to that in aprotic solvent. …”
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    Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers
  14. 1334
    “…From the previous works, it can be stated that an anti-ohmic molecular wire must display a very small HOMO–LUMO gap and a reversed bond alternation pattern in the case of polyenes and related conjugated systems. …”
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    Anti-ohmic single molecule electron transport: is it feasible?
  15. 1335
    “…For our cold spot analysis, we first use a small affinity database of PPIs with known structures and affinities and then expand our search to nearly 4000 homo‐ and heterodimers in the Protein Data Bank (PDB). …”
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    Cold spots are universal in protein–protein interactions
  16. 1336
    “…By varying both the dominating charge transporting LUMO or HOMO energy and the electrolyte concentration, we achieved tuning of the polarity as well as the amplitude of the rectification. …”
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    Electrochemically controlled rectification in symmetric single-molecule junctions
  17. 1337
    “…The design and practical synthesis of such homo‐ and hetero‐dimers of linear polyamines, spermine and norspermine, are reported. …”
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    Practical Synthesis of Polyamine Succinamides and Branched Polyamines
  18. 1338
    “…The key structural elements in Homo sapiens ClpP, particularly W146 and its joint action with the C-terminal motif, significantly contribute to the discrimination of the activators. …”
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    Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP
  19. 1339
    “…Furthermore, the NH(4)(+) cationic group tends to lower the value of the HOMO orbital, which increases the inhibition performance of PESA.…”
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    Geometrical and Electronic Analysis of Polyepoxysuccinic Acid (PESA) for Iron Sulfide Scale Inhibition in Oil Wells
  20. 1340
    “…Mycobacterium smegmatis Lhr exemplifies a novel clade of helicases composed of an N-terminal ATPase/helicase domain (Lhr-Core) and a large C-terminal domain (Lhr-CTD) that nucleates a unique homo-tetrameric quaternary structure. Expression of Lhr, and its operonic neighbor Nei2, is induced in mycobacteria exposed to mitomycin C (MMC). …”
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    Mycobacterial helicase Lhr abets resistance to DNA crosslinking agents mitomycin C and cisplatin
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