[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

Theoretical investigation on a series of phosphorescent heteroleptic cyclometalated iridium (III) complexes containing substituted 2-(3-sulfonylfluorophenyl)pyridine ligands

By using the density functional theory/time-dependent density functional theory methods, the electronic structure and photophysical properties of five heteroleptic cyclometalated Ir(III) complexes have been studied. The lowest absorption wavelengths are located at 350 nm for 1, 352 nm for 2, 354 nm for 3, 400 nm for 4 and 352 nm for 5, respectively. The phosphorescence wavelength of complexes 1–5 are localized at 445, 473, 474, 490 and 466 nm, respectively, simulated in CH2Cl2 medium at CAM-B3LYP level. It is expected that the theoretical results could help the experimentalists in synthesizing new excellent emitters for organic light-emitting diodes.</p

sj-pdf-1-pid-10.1177_09544070231205063 – Supplemental material for Study on dynamic prediction method for degradation state of electric drive system based on deep learning and uncertainty quantification

Supplemental material, sj-pdf-1-pid-10.1177_09544070231205063 for Study on dynamic prediction method for degradation state of electric drive system based on deep learning and uncertainty quantification by Zhen Wang, Lihui Zhao, Dongdong Zhang and Chuliang Yan in Proceedings of the Institution of Mechanical Engineers, Part D: Journal of Automobile Engineering</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

SMM904114 Supplemental material - Supplemental material for Precision medicine: Subgroup identification in longitudinal trajectories

Supplemental material, SMM904114 Supplemental material for Precision medicine: Subgroup identification in longitudinal trajectories by Yishu Wei, Lei Liu, Xiaogang Su, Lihui Zhao and Hongmei Jiang in Statistical Methods in Medical Research</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

Quantitation analyses of selected bacterial groups in fecal samples on days 21 and 36 by real-time PCR.

Quantitation analyses of selected bacterial groups in fecal samples on days 21 and 36 by real-time PCR.</p

A theoretical investigation on the electronic structures and phosphorescent properties of three heteroleptic iridium(III) complexes with different substituted ancillary groups

Three heteroleptic iridium(III) complexes 1, 2 and 3 bearing two cyclometalating 2′,6′-difluoro-2,3′-bipyridyl (dfpypy) chelates and one pyridyl pyrazolate ligand have been investigated by using the density functional theory/time-dependent density functional theory method to study the influence of the different substituent groups (―CF3 and ―N(CH3)2 moiety on the electronic structures, phosphorescent properties and the organic light-emitting diode performance. The lowest energy absorption wavelength calculated is in good agreement with the experimental value. The lowest energy emissions of complexes 1, 2 and 3 are localised at 454, 534 and 821 nm, respectively. Ionisation potential and electron affinity have been calculated to evaluate the injection abilities of holes and electrons into these complexes. The calculated results show that the different substitute groups affect the charge transfer rate and balance. Finally, we hope that this study can provide a good guide to the future design and synthesis of novel phosphorescent materials 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’