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  1. 3161
    “…To explore the effect of this novel mutation, primary cultured neurons were transfected with wild type homo CNTNAP2 or R777G mutation and the morphology and function of neurons were evaluated. …”
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    A Novel CNTNAP2 Mutation Results in Abnormal Neuronal E/I Balance
  2. 3162
    “…Here, we demonstrate a rapid and quantitative method to tailor Đ of both homo and block copolymers in aqueous atom transfer radical polymerization. …”
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    Controlling dispersity in aqueous atom transfer radical polymerization: rapid and quantitative synthesis of one-pot block copolymers
  3. 3163
    “…As a result of 6 s←5d excitation of an electron from the antibonding σ(u) (*) orbital (HOMO‐1) into the bonding σ(g) orbital (SOMO), the Au−Au bond contracts substantially (by 0.1 Å).…”
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    Near‐Infrared Spectrum of the First Excited State of Au(2) (+)
  4. 3164
    “…Density functional theory (DFT) calculations show well separation of HOMO and LUMO for this co-crystal system, suggesting the efficient triplet excitons generation. …”
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    Room-Temperature Phosphorescent Co-Crystal Showing Direct White Light and Photo-Electric Conversion
  5. 3165
    “…CD spectroscopy and extensive molecular modeling indicated the adoption by the homo-duplex of a ladder-like structure, while hetero-duplexes with DNA or RNA still form helical structure. …”
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    7′,5′-alpha-bicyclo-DNA: new chemistry for oligonucleotide exon splicing modulation therapy
  6. 3166
    “…Further, the probability of being NLO-active has been theoretically proved by the HOMO/LUMO energy difference (4.133–4.186 eV) and β values (192.778–501.709 a.u). …”
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    Exploration of Photophysical and Nonlinear Properties of Salicylaldehyde-Based Functionalized Materials: A Facile Synthetic and DFT Approach
  7. 3167
    “…We previously reported that VCP, a homo-hexameric protein, enhances pathogenic ataxin-3 aggregation and exacerbates its toxicity. …”
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    Targeting the VCP-binding motif of ataxin-3 improves phenotypes in Drosophila models of Spinocerebellar Ataxia Type 3
  8. 3168
    “…Contrary to linearly π-conjugated molecules, their highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) gap shrinks as the molecular size reduces, and this feature can, in principle, be leveraged to achieve unexpected size-dependent transport properties. …”
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    Single cycloparaphenylene molecule devices: Achieving large conductance modulation via tuning radial π-conjugation
  9. 3169
    “…Then, for all of these 100 molecules, we calculate the HOMO energy within second and third-order perturbation theory (PT2 and PT3), and, GW as post-Hartree-Fock methods. …”
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    The GW Miracle in Many-Body Perturbation Theory for the Ionization Potential of Molecules
  10. 3170
    por Ventura, Livia
    Publicado 2022
    “…This study attempts to offer an interpretative key for understanding these hybrid models, abandoning the classical homo economicus paradigm to embrace a reading based on behavioural law and economics and the Yale approach to economic analysis of law, according to which altruism and beneficence should be considered as ends in themselves, as goods desired by people and for which they are willing to pay a price. …”
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    Philanthropy and the For-profit Corporation: The Benefit Corporation as the New Form of Firm Altruism
  11. 3171
    “…Our structures shed light on the molecular determinants for DBHS homo- and heterodimerization and provide a basis for understanding how DBHS proteins cooperatively recognize a broad spectrum of RNA targets.…”
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    Structural basis of dimerization and nucleic acid binding of human DBHS proteins NONO and PSPC1
  12. 3172
    “…Electrochemical studies confirm the ambipolar nature of these AD(n)A molecules with the HOMO–LUMO gap varying between 2.05 and 2.29 eV. Electron density mapping from ESP calculations reveals intra-molecular charge separation as typically observed in ambipolar systems. …”
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    Stable room temperature ferroelectricity in hydrogen-bonded supramolecular assemblies of ambipolar π-systems
  13. 3173
    “…Bipedalism, speech, and intellect are the most prominent traits that emerged in the evolution of Homo sapiens. Here, we describe a novel genetic cause of an “involution” phenotype in four patients, who are characterized by quadrupedal locomotion, intellectual impairment, the absence of speech, small stature, and hirsutism, observed in a consanguineous Brazilian family. …”
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    Neurodevelopmental Syndrome with Intellectual Disability, Speech Impairment, and Quadrupedia Is Associated with Glutamate Receptor Delta 2 Gene Defect
  14. 3174
    “…This contradicts predictions that increased physiological arousal from lying might increase muscular tension in the larynx, but is consistent with human specialisations that grant Homo sapiens sapiens an unusual degree of control over the voice relative to other primates. …”
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    Speech timing cues reveal deceptive speech in social deduction board games
  15. 3175
    “…This counterintuitive behavior has been explained with the help of DFT calculations performed to rationalize the interplay between the intramolecular and intermolecular properties, which point to lower transfer integrals in the trimethoxy derivative due to the HOMO wave function extension over the peripheral methoxy groups. …”
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    Functionalized Crystalline N-Trimethyltriindoles: Counterintuitive Influence of Peripheral Substituents on Their Semiconducting Properties
  16. 3176
    “…The highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), reactivity indices (η, μ, ω, ω(+), and ω(–)), and molecular electrostatic potentials (MEPs) were also evaluated. …”
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    Structure–antioxidant activity relationships of dendrocandin analogues determined using density functional theory
  17. 3177
    “…The second-order rate constant (k(H)) for the GO(•)-scavenging reaction by PTS was more than threefold larger than that by RSV, although thermodynamic parameters, such as the relative O–H bond dissociation energies of the phenolic OH groups, ionization potentials, and HOMO energies calculated by the density functional theory are about the same between PTS and RSV. …”
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    Effect of Magnesium Ion on the Radical-Scavenging Rate of Pterostilbene in an Aprotic Medium: Mechanistic Insight into the Antioxidative Reaction of Pterostilbene
  18. 3178
    “…Cyt c nanoparticles (NPs, 169 ± 9 nm) were obtained by solvent precipitation with acetonitrile, and stabilized by reversible homo-bifunctional crosslinking to accomplish a Cyt-c-based drug delivery system that combines stimulus-responsive release and active targeting. …”
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    Folate-Decorated Cross-Linked Cytochrome c Nanoparticles for Active Targeting of Non-Small Cell Lung Carcinoma (NSCLC)
  19. 3179
    “…The chromosomal homologies of human (Homo sapiens—HSA) and Trachypithecus phayrei (TPH—Phayre’s leaf-monkey, family Cercopithecidae) have previously been studied by using classical chromosome staining/banding and fluorescence in situ hybridization (FISH) from the 1970s to 1990s. …”
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    First Comprehensive Characterization of Phayre’s Leaf-Monkey (Trachypithecus phayrei) Karyotype
  20. 3180
    “…The molecules exhibit high thermal stability, low band gap (1.67–2.36 eV) and comparable HOMO (−5.34 to −5.97 eV) and LUMO (−3.61 to −3.70 eV) energy levels with those of reported ambipolar materials. …”
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    Blue-red emitting materials based on a pyrido[2,3-b]pyrazine backbone: design and tuning of the photophysical, aggregation-induced emission, electrochemical and theoretical properties
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