“…We report the isolation of a homo xanthophyll pigment-producing marine bacterium, identified as the Erythrobacter sp. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…The DFT/B3LYP/6–311 G(d,p) method was used to determine the HOMO–LUMO energy levels. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter­molecular inter­actions, indicating that the important contributions to the crystal packing are from H⋯H (73.2%), C⋯H (18.4%) and O⋯H (8.4%) inter­actions.…”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…To apply furanic polyesters on engineering plastics, packaging materials, electronics, etc., researchers have extended the properties of basic FDCA-based homo-polyesters by directional copolymerization and composite preparation. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…The three-dimensional structure of tyrosinase has been crystallized from many species but not from Homo sapiens. Tyrosinase is a key enzyme in melanin biosynthesis, being an important target for melanoma and skin-whitening cosmetics. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…Chromatographic retention factor log k(IAM) obtained from IAM HPLC chromatography with buffered aqueous mobile phases and calculated molecular descriptors (surface area—S(a); molar volume—V(M); polar surface area—PSA; count of freely rotable bonds—FRB; H-bond acceptor count—HA; energy of the highest occupied molecular orbital—E(HOMO); energy of the lowest unoccupied orbital—E(LUMO); and polarizability—α) obtained for a group of 160 structurally unrelated compounds were tested in order to generate useful models of solutes’ skin permeability coefficient log K(p). …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…However, in mitochondria, chloroplasts and cyanobacteria, multiple FtsH homologs form homo- and heterocomplexes with specialized functions in maintaining photosynthesis and respiration. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…The unique van der Waals epitaxy growth mode will be helpful for both homo- and heteroepitaxy on 2D material surfaces.…”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…Among these nanoclusters, it is found that the Ta(4)B(18) cluster has a closed-shell with a large HOMO–LUMO gap of 2.61 eV. Adaptive natural density partitioning analysis (AdNDP) reveals that the Ta(4)B(18) cluster has σ antiaromaticity and π aromaticity, i.e., a conflicting aromaticity. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…Despite a clear blue-shift of the optical bandgap, the lowest unoccupied molecular orbital (LUMO) readily moves towards the vacuum level while the highest occupied molecular orbital (HOMO) changes slightly, in good agreement with that observed in the quantum size effect tuning of quasi-2D perovskites and colloidal semiconductor QDs. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…We speculated the involvement of autoinflammatory backgrounds and detected MEFV gene mutations of E148Q (homo), P369S, and R408Q. Considering the elevation of interleukin-18, these mutations probably played roles in the repeated necrotizing lymphadenitis.…”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…Likewise, the theoretical modeling of the photophysical properties was realized with promising results, showing that the HOMO–LUMO energies of the new compounds present the lowest electronic gap values for those with donor groups in their structure, which makes them potential fluorophores.…”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…The DFT calculations give evidence that the main reason for this behavior is the different composition of the HOMO, while the LUMO is similar for all three compounds. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…Moreover, the optically active PF8Azo homo-aggregates were produced by complete photoscissoring reactions at 313 nm, which could be assigned to the Siσ–Siσ* transitions of PSi-S and PSi-R.…”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…An exciplex could be formed by blending a selected hole-transporting material (HTM)/electron-transporting material (ETM) pair, and the corresponding energy band gap is roughly determined by the energy difference between the lowest unoccupied molecular orbital (LUMO) of the ETM and the highest occupied molecular orbital (HOMO) of the HTM. In this study, three HTM/ETM combinations are adopted to generate blue, green, and red exciplexes, allowing us to design precise device architectures for the fabrication of exciplex-based white OLEDs (WOLEDs) with daylight-like emissions. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…By comparing the gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), electron affinity, atomic charge population, and natural bond orbital (NBO), we found that the order of reducibility is Pt(bipy)Cl(4) > Pt(en)Cl(4) > Pt(dach)Cl(4). …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…According to DOS plots and HOMO–LUMO orbital studies, the electronic characteristics of pure CNTs are not modified following mycolactone adsorption on the nanotubes. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…In this scenario, we describe the synthesis of two sets of homo-thymine nucleopeptides, in which nucleobases are inserted in a peptide structure, to investigate the role of the underivatized amino acid residue and the distance of the nucleobase from the peptide backbone on the nucleic acid recognition process. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…Phonon and local vibrational mode assisted current tunneling is calculated by treating electron–phonon scattering in the context of the lowest order expansion of the self-consistent Born approximation. We study Gly and Ala homo-peptides as an example of very similar, small and neutral amino-acids that would be indistinguishable by means of standard techniques, such as the ionic blockade current, in real peptides. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…The structure of the compound was optimized by Density Functional Theory calculations and HOMO–LUMO energy gap was calculated. The non–covalent interactions were revealed by reduced density gradient analysis. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso

“…This review focuses on recent insights into how the noradrenergic recruitment of epigenetic modifications, including DNA methylation and post-translational modification of histones, contribute to homo- and heterosynaptic plasticity. These advances will be placed in the context of synaptic changes associated with memory formation and linked to brain disorders and neurotherapeutic applications.…”
Enlace del recurso
Enlace del recurso
Enlace del recurso