“…The obtained polymer exhibits a high highest occupied molecular orbital (HOMO) and low lowest unoccupied molecular orbital (LUMO) energy levels (−5.13 eV and −3.25 eV, respectively) due to the electron-donating thiophene and electron-accepting phosphole units. …”
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“…Both ChN2 and QN23 demonstrated significant neuroprotective effects (EC(50) = 0.66 ± 0.23 μM and EC(50) = 2.13 ± 0.47 μM, respectively) comparable to those of homo-bis-nitrone 6 (HBN6) and N-acetylcysteine (NAC) and superior to those of α-phenyl-N-tert-butylnitrone (PBN). …”
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“…The results show that the HOMO and LUMO of riboflavin are located exactly in the region of the iso-alloxazine rings of riboflavin. …”
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“…Our results reveal the presence of two NICD dimerization states that can both engage in homo and heterodimerization. Using a Co-IP approach, we show that all NICD’s can form non-transcriptionally active dimers and that the N4ICD appears to perform this function better than the other NICDs. …”
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“…Moreover, to achieve new insights into the structural, stability/energetics, and electronic features, some useful tools, such as NCI-plot, HOMO–LUMO gap, MESP, and QTAIM analysis were employed, which facilitated noteworthy outcomes.…”
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“…Finally, molecular docking, fluorescence, colorimetry and the HOMO–LUMO energy gap of the compound can provide new insights into developing drugs and detecting metals in biomolecules.…”
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“…Polysilyne with repeating disilyne units, a silicon analogue of polyacetylene, has a high potential for application to various novel silicon-based electronic devices because of the unique properties of Si=Si units with a smaller HOMO–LUMO energy gap than that of C=C units. However, one-dimensional (1D) polysilyne has not been synthesized yet. …”
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“…We compared the performance of CapBM-DTI with state-of-the-art methods using four experimentally validated DTI datasets of different sizes, including human (Homo sapiens) and worm (Caenorhabditis elegans) species datasets, as well as three subsets (new compounds, new proteins, and new pairs). …”
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“…Furthermore, the results of the electronic properties’ analysis showed that the HOMO–LUMO gap of the nanocage is decreased significantly upon doping of Fe (from 4.81 to 2.28 eV), indicating an increase in the conductivity of the system. …”
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“…Without O(2), copper(I) acetylides undergo a photo-excited pathway to generate highly reactive alkynyl radicals, which combine together to form a homo-coupling product or individually react with diverse X-H (X = C, N, O, S and P) substrates via hydrogen atom transfer. …”
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“…Each approach has its limitations and is applicable to different periods in the evolution of Homo sapiens. The main source of error in such studies is thought to be sample stratification, the small number of studies on nonwhite populations, the impossibility of a complete comparison of the associations found and functionally significant causative variants, and the difficulty with taking into account all nongenetic determinants of fertility in contemporary populations. …”
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“…Here, we investigate how individuals' traits predict tactic decisions, and the consistency and pay-offs of these decisions, in the remarkable mutualism between humans (Homo sapiens) and greater honeyguides (Indicator indicator). …”
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“…In the current work, five molecular descriptors are utilized to construct QSAR models for predicting the mean and maximum air half-lives of POPs, including specifically the energy of the highest occupied molecular orbital (HOMO_Energy_DMol3), a component of the dipole moment along the z-axis (Dipole_Z), fragment contribution to SAscore (SAscore_Fragments), subgraph counts (SC_3_P), and structural information content (SIC). …”
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“…The results showed great conservation of this protein across several species when comparing the interaction amino acids described to RXR (an EcR analog) in Homo sapiens. The three-dimensional comparison of RXR showed little conformational variation between different sequences by maintaining the interaction pocket. …”
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“…Using the two largest collections of Mus musculus and Homo sapiens transcription start sites (TSSs) determined based on CAGE tags, ditags, full-length cDNAs, and other transcript data, we describe the compositional landscape surrounding TSSs with the aim of gaining better insight into the properties of mammalian promoters. …”
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“…This suggests that the biological substrate underlying the symbolic thought that is so distinctive of Homo sapiens today was exaptively achieved, long before its potential was actually put to use. …”
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“…We finally prove that Necl-3/SynCAM-2 is a bona fide adhesion molecule that engages in homo- and heterophilic interactions with the other Necl family members, leading to cell aggregation. …”
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“…This hypothesis has been tested in homo- and heterotypic explant experiments in vitro. …”
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“…Monoclonal antibodies allowed us to separate collagen XII variants, and to show that homo- and heterotrimers exist. Collagen XII variants differ in ligand binding. …”
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“…RESULTS: An extensive comparative analysis of two primate (Homo sapiens and Pan troglodytes) and two rodent (Mus musculus and Rattus norvegicus) genomes allowed us to describe organization and insertion mechanisms of all the informative ITSs present in the four species. …”
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