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  1. 4361
    por Wang, Hsiuying
    Publicado 2022
    “…Two distance models were used to calculate the pairwise distances of 567 Homo sapiens miRNA genes accessed from the MirGeneDB database. …”
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    The distance distribution of human microRNAs in MirGeneDB database
  2. 4362
    “…Up to 250 nm the signal is dominated by the lowest HOMO → LUMO transition, whereas at 233 nm, in the valley between the two lowest energy absorption bands, the contributions of all the three bright states, and their interferences and couplings, are important. …”
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    Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine
  3. 4363
    “…The highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), energy gap (E(g)), light harvest efficiency (LHE), and open-circuit voltage (Voc) of the studied molecular structures are calculated and illustrated. …”
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    1,2,4-Triazine-based Materials: Spectroscopic Investigation, DFT, NBO, and TD-DFT Calculations as Well As Dye-sensitized Solar Cells Applications
  4. 4364
    “…The star copolymer also exhibited good absorption properties in the ultraviolet-visible (UV-Vis) and the near infrared (NIR) spectral regions, which give rise to an optical energy bandgap value as low as 1.43 eV. A HOMO energy level at −5.53 eV, which is below the air-oxidation threshold, was obtained by cyclic voltammetry (CV). …”
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    Microscopic, Spectroscopic, and Electrochemical Characterization of Novel Semicrystalline Poly(3-hexylthiophene)-Based Dendritic Star Copolymer
  5. 4365
    “…Upon detection of an activating stimulus, NLRP3 transitions from an inactive homo-oligomeric multimer into an active multimeric inflammasome, which promotes the helical oligomeric assembly of the adaptor molecule ASC. …”
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    How location and cellular signaling combine to activate the NLRP3 inflammasome
  6. 4366
    “…Mouse GCA showed a high percentage identity (87%) with the crystal structure of des (1–52) grancalcin with bound calcium (chain A) from Homo sapiens identified by its PDB id 1k94_A. Using the SWISS-MODEL server, we used 1k94_A as a template protein to model the mouse GCA protein. …”
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    Molecular modeling, molecular dynamics simulation, and essential dynamics analysis of grancalcin: An upregulated biomarker in experimental autoimmune encephalomyelitis mice
  7. 4367
    “…The results indicate that, in the Eurosiberian region, the disappearance of Neanderthal groups was contemporaneous with a significant decrease in the available biomass for secondary consumers, and the arrival of the first Homo sapiens populations coincided with an increase in herbivore carrying capacity. …”
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    Ecosystem productivity affected the spatiotemporal disappearance of Neanderthals in Iberia
  8. 4368
    “…The in silico studies showed that the common central domain of tyrosinase protein sequence of selected Pseudomonas sps. exhibited 100% identity with the common central domain of Homo sapiens tyrosinase (NP_000363.1). CONCLUSIONS: Our study shows the production of melanin in good quantities by the isolate Pseudomonas otitidis DDB2 which can be explored for scale-up process. …”
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    Melanin production by Pseudomonas sp. and in silico comparative analysis of tyrosinase gene sequences
  9. 4369
    “…According to frontier molecular orbitals (HOMO, LUMO) calculations, the energy gap of 4-cyanoquinazoline decreases by more than 1 eV compared to quinazolin-4-one, that is consistent with experimental data.…”
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    Push-Pull Structures Based on 2-Aryl/thienyl Substituted Quinazolin-4(3H)-ones and 4-Cyanoquinazolines
  10. 4370
    “…Tested on two homodimer datasets, CDPred achieves the precision of 60.94% and 42.93% for top L/5 inter-chain contact predictions (L: length of the monomer in homodimer), respectively, substantially higher than DeepHomo’s 37.40% and 23.08% and GLINTER’s 48.09% and 36.74%. …”
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    Prediction of inter-chain distance maps of protein complexes with 2D attention-based deep neural networks
  11. 4371
    “…In summary, comparative RNA expression pattern studies that differ in species (Homo or Mus), models (in vitro or in vivo), microgravity conditions (real microgravity or ground-based simulators) and microgravity duration showed that it is difficult to reach a consistent conclusion about the pathogenesis of microgravity-induced bone loss across these studies. …”
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    Bioinformatic analysis of the RNA expression patterns in microgravity-induced bone loss
  12. 4372
    “…From DFT calculations, various methods such as molecular electrostatic potential (MEP), Fukui functions, Mulliken atomic charges, and frontier molecular orbital (HOMO-LUMO) were characterized. Furthermore, UV-Vis absorption and natural bond orbital (NBO) analysis were calculated. …”
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    A Comprehensive Study of N-Butyl-1H-Benzimidazole
  13. 4373
    “…We here introduce a real-time pure shift acquisition scheme for the detection of amide protons which is based on (13)C-BIRD(r,X). As a result the full homo- and heteronuclear coupling network can be suppressed at low power leading to real singlets at substantially improved resolution and uncompromised sensitivity. …”
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    Pure shift amide detection in conventional and TROSY-type experiments of (13)C,(15)N-labeled proteins
  14. 4374
    “…Furthermore, the quantum chemistry calculations (DFT) indicated that the iodide anion hosted most of the highest occupied molecular orbital (HOMO), which eased its adsorption on the anodic sites, preventing the deposition of sulfate ions on the electrode surface.…”
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    Investigation of Sulfonium-Iodide-Based Ionic Liquids to Inhibit Corrosion of API 5L X52 Steel in Different Flow Regimes in Acid Medium
  15. 4375
    “…Moreover, a search in GEO for “osteoarthritis” datasets has been performed using ‘Homo sapiens' and ‘Expression profiling by array’ filters. …”
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    Osteoarthritis Data Integration Portal (OsteoDIP): A web-based gene and non-coding RNA expression database
  16. 4376
    por Spiegel, Brennan
    Publicado 2022
    “…To explain this unconventional hypothesis of IBS pathogenesis, referred to herein as the gravity hypothesis, this article reviews the influence of gravity on human evolution; discusses how Homo sapiens imperfectly evolved to manage this universal force of attraction; and explores the mechanical, microbial, and neuropsychological consequences of gravity intolerance with a focus on explaining IBS. …”
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    Gravity and the Gut: A Hypothesis of Irritable Bowel Syndrome
  17. 4377
    “…The film of PMT‐CT‐10 shows slightly up‐shifted highest occupied molecular orbital (HOMO) energy levels while better co‐planar structure than that of PMT‐FT‐10. …”
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    Terpolymer Donor with Inside Alkyl Substituents on Thiophene π‐Bridges toward Thiazolothiazole A(2)‐Unit Enables 18.21% Efficiency of Polymer Solar Cells
  18. 4378
    “…The structure of the C. elegans CISD-1/mitoNEET soluble domain refined at 1.70-Å resolution uniquely shows a reversible disulfide linkage at the homo-dimeric interface and also represents the N-terminal tail domain for dimerization of the cognate kinesin motor protein KLP-17 involved in chromosome segregation dynamics and germline development of the nematode. …”
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    Structure and biological evaluation of Caenorhabditis elegans CISD-1/mitoNEET, a KLP-17 tail domain homologue, supports attenuation of paraquat-induced oxidative stress through a p38 MAPK-mediated antioxidant defense response
  19. 4379
    “…Here, we use light-evoked homo-oligomerization of cryptochrome CRY2 to silence synaptic transmission, by clustering synaptic vesicles (SVs). …”
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    Rapid and reversible optogenetic silencing of synaptic transmission by clustering of synaptic vesicles
  20. 4380
    “…According to the theoretical ADME calculations, the profiles of the compounds are suitable in terms of limiting rules. HOMO–LUMO analysis showed that 5h is chemically more reactive (represented with the lower ΔE = 3.432 eV) than the other molecules, which is compatible with the highest antibacterial activity result.…”
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    Synthesis, Molecular Docking, Dynamics, Quantum-Chemical Computation, and Antimicrobial Activity Studies of Some New Benzimidazole–Thiadiazole Hybrids
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