[2]共同利用研究(平成9年度)

Additional file 3: Figure S3. Correlations between minimum feret diameter of gastrocnemius fibers from PAD subjects and walking performance (n=26, approximately 1000 fibers per subject). A) type I fiber minimum feret diameter versus normal-paced 4-m walking velocity; B) type I fiber minimum feret diameter versus fastest-paced 4-m walking velocity; C) average fiber minimum feret diameter versus normal-paced 4-m walking velocity; and D) average fiber minimum feret diameter versus fastest-paced 4-m walking velocity

Theoretical Design Study on the Electronic Structures and Phosphorescent Properties of Four Iridium(III) Complexes

<div><p>The geometry structures, electronic structures, absorption, and phosphorescent properties of four Ir(III) complexes have been investigated using the density functional method. Calculations of ionization potential (IP) and electron affinity (EA) were used to evaluate the injection abilities of holes and electrons into these complexes. The result also indicates that the –CF₃ substituent group on the ligand not only change the character of transition but affect the rate and balance of charge transfer. The lowest energy absorption wavelengths are located at 428 nm for <b>1a</b>, 446 nm for <b>1b</b>, 385 nm for <b>2a</b>, and 399 nm for <b>2b</b>, respectively, in good agreement with the energy gap (Δ<i>E</i>_L-H) trend because the HOMO–LUMO transition configurations are predominantly responsible for the <i>S</i>₀→<i>S</i>₁ transition. <b>2b</b> has the 433 nm blue emission, which might be a potential candidate for blue emitters in phosphorescent dopant emitters in organic light emitting diodes (OLEDs). The study could provide constructive information for designing novel OLEDs materials in the future.</p><p><i>[Supplemental materials are available for this article. Go to the publisher's online edition of Molecular Crystals and Liquid Crystals to view the free supplemental file.]</i></p></div

DFT/TDDFT investigation on the photophysical properties of a series of phosphorescent cyclometalated complexes based on the benchmark complex FIrpic

<p>The photophysical properties of four Ir(III) complexes have been investigated by means of the density functional theory/time-dependent density functional theory (DFT/TDDFT). The effect of the electron-withdrawing and electron-donating substituents on charge injection, transport, absorption and phosphorescent properties has been studied. The theoretical calculation shows that the lowest-lying singlet absorptions for complexes <b>1</b>–<b>4</b> are located at 387, 385, 418 and 386 nm, respectively. For <b>1</b>–<b>4</b>, the phosphorescence at 465, 485, 494 and 478 nm is mainly attributed to the LUMO → HOMO and LUMO → HOMO-1 transition configurations characteristics. In addition, ionisation potential (IP), electron affinities (EAs) and reorganisation energy have been investigated to evaluate the charge transfer and balance properties between hole and electron. The balance of the reorganisation energies for complex <b>3</b> is better than others. The difference between hole transport and electron transport for complex <b>3</b> is the smallest among these complexes, which is beneficial to achieve the hole and electron transfer balance in emitting layer.</p

Theoretical insight into a series of cyclometalated platinum(II) complexes with the substituted 2-phenylimidazole ligand

<p>The photophysical properties of a series of platinum(II) complexes have been theoretically investigated. The effect of the electron-withdrawing and electron-donating substituents on charge injection, transport, absorption and phosphorescent properties has been studied. For complexes <b>1</b>–<b>5</b>, the phosphorescence at 474, 453, 451, 524 and 461 nm are assigned to ³MLCT(triplet metal-to-ligand charge transfer)/³ILCT(triplet intraligand charge transfer). In addition, ionization potential (IP), electron affinities (EA) and reorganization energy have also been analyzed to evaluate the charge transfer and balance properties between hole and electron. The calculated results show the complex <b>2</b> possibly possesses the largest radiative decay rate value among these studied complexes.</p

Theoretical study on the electronic structures and spectral properties of two series of osmium(II) complexes with different substituent groups

<p>Two series of osmium(II) complexes with different substituent groups (-CF₃, -N(CH₃)₂) have been studied by using the density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods, to investigate their electronic structures, absorption, and emission properties. The influence of different substituted groups on their photophysical properties has also been explored. The lowest energy absorption and emission wavelengths calculated are in good agreement with the available experimental values. Besides, ionization potential (IP), electron affinities (EA), and reorganization energy (λ) were calculated to evaluate the charge transfer and balance properties between hole and electron. It is expected that the theoretical studies could provide valuable information for the phosphorescent osmium(II) material for use in the organic light-emitting diodes.</p

Theoretical study on the electronic structures and phosphorescent properties of a series of iridium(III) complexes with N^C^N-coordinating terdentate ligands

<p>The geometry structures, electronic structures, absorption, and phosphorescent properties of a series of iridium(III) complexes with the structure Ir(N^C^N)(N^C)Cl, (N^C^N represents a terdentate coordination with different substituent groups C₂H₅ (<b>1</b>), NH₂ (<b>2</b>), CH₃ (<b>3</b>), H (<b>4</b>), CN (<b>5</b>), NO₂ (<b>6</b>), and CF₃ (<b>7</b>), N^C is 2-phenylpyridine) have been investigated using the density functional theory and time-dependent density functional theory. Calculations of ionisation potential and electron affinity were used to evaluate the injection abilities of holes and electrons into these complexes. The lowest energy absorption wavelength calculated is in good agreement with the experimental value. The lowest energy emissions of complexes <b>1</b>−<b>7</b> are localised at 552, 559, 549, 517, 627, 788, and 574 nm, respectively, at CAM-B3LYP level. For complexes <b>1</b> and <b>3</b>, the calculated results showed a lower and larger ³MLCT contributions and higher values, which could result in the larger <i>k</i>_r value than those of other complexes. It is anticipated that the theoretical studies can provide useful information for designing and synthesising the candidated phosphorescent material for use in the organic light-emitting diodes.</p

Additional file 1 of Vitamin D modulation of brain-gut-virome disorder caused by polystyrene nanoplastics exposure in zebrafish (Danio rerio)

Additional file 1: Text S1. TEM analysis. Text S2. Determination of biochemical parameters. Text S3. Gut Virome Analysis. Figure S1. Accumulation of PS-NPs in the brain tissues of zebrafish and changes of related growth parameters (0.2 μm). (A) TEM observation of PS-NPs in brain tissue, (a), (b), (c), (d), (e), and (f) represent the group of 0-, 0+, 15-, 15+, 150-, and 150+, respectively, the blue arrow points to the NPs; (B) The number of NPs in brain tissue (n=3 replicates); (C) BSI (%). Data are expressed as means±SD. *p<0.05 indicate significant differences between the exposure groups and the control group. Figure S2. (A) Average velocity (mm/s); (B) Average acceleration (mm/s2); (C) and (D) represents the content of cortisol and OT in zebrafish brain samples. Data are expressed as means±SD. *p<0.05 indicate significant differences between the exposure groups and the control group. Figure S3. (A) Relative abundance of bacteria at the genus level (top 10) (n=3 replicates); (B) The relative abundance of Exiguobacterium. Data are expressed as means±SD. *p<0.05 indicate significant differences between exposure groups and the control group; #p<0.05 indicate significant differences between vitamin D-high and vitamin D-low groups at the same PS-NPs concentration. Table S1. Differentially expressed virus in 15+ vs 15- comparison. Table S2. Differentially expressed virus in 150+ vs 150- comparison. Table S3. Primer information used in qRT-PCR. All sequences are shown 5’-3’

Microbiota profiles in PCOS rats.

<p>(A) DGGE profiles in the fecal microbiota of control group and PCOS group (control group: C1-C6; PCOS group: P1-P6). Arrows 1–7 were the bands selected for sequence. (B) Cluster analysis of the DGGE profiles. The dendrogram was constructed using UPGMA method. (C) Principal component analysis (PCA) of fecal microbiota based on DGGE fingerprints. Samples grouped in a solid circle represented fecal microbiota of PCOS group.</p

Sequence identities of PCR amplicons derived from DGGE gels.

<p>Sequence identities of PCR amplicons derived from DGGE gels.</p

Comparisons of serum sex steroids at 36 days.

<p>The concentrations of estrone (A), estradiol (B), androstenedione (C) and testosterone (D) in the serum were quantified with ELISA kit. These data were shown as Mean±sem. <i>* p < 0</i>.<i>05</i> versus control group, <i># p < 0</i>.<i>05</i> versus PCOS group.</p