Insomnia is a growing health concern globally, with significant implications for public health. Most studies have primarily focused on the effects of nighttime temperatures on sleep problems. However, there is a lack of studies comparing nighttime temperatures with daytime temperatures, which are more closely related to daily life activities.
View Article and Find Full Text PDFBlue phosphorescent organic light-emitting diodes (PHOLEDs) are on the brink of commercialization for decades. However, the external quantum efficiency (EQE) and operational lifetime of PHOLEDs are not yet reached industrial standards. Here, a novel tetradentate Pt(II) emitter with a spirofluorene onto the carbazole unit that minimizes the vibration modes, corresponding to the structural relaxation during the de-excitation, called the vibration suppression effect is reported.
View Article and Find Full Text PDFThe time dependent density functional theory (TDDFT) and TDDFT/similarity transformed EOM domain-based local pair natural orbital CCSD (STEOM-DLPNO-CCSD) calculations were explored to estimate their validity in predicting the excited-state properties of multi-resonant thermally activated delayed fluorescence (MR-TADF) materials. Obviously, it was demonstrated that TDDFT calculation is inadequate to provide the quantitative prediction of the lowest singlet excited-state (S), the lowest triplet excited-state (T), and ΔE. On the other hand, TDDFT/STEOM-DNLPNO-CCSD calculation reveals the superior prediction of S, T, and ΔE that are in quantitative agreement with experiments.
View Article and Find Full Text PDFUntil now, thermally activated delayed fluorescence (TADF) materials based on bridged boron-based acceptors have been primarily developed as dopants. However, in this study, we synthesized and characterized multifunctional deep-blue TADF materials─t-OBO-DMAC and t-OBO-DPAC─using bridged boron-based acceptors in combination with dimethylacridine or diphenylacridine as donors. These materials serve as both dopants and hosts.
View Article and Find Full Text PDFThe attention to materials with hot exciton channel and triplet-triplet fusion (TTF) mediated high-lying reverse intersystem crossing (hRISC) has been raised for their ability to convert non-emissive 'dark' triplets into radiative singlet excitons. This spin conversion process results in high exciton utilization efficiency (EUE) that exceeds the theoretical limits. Notably, it is known that such spin conversion processes from the high-lying excited triplet to the singlet state are facilitated by the orthogonal orbital transition effect governed by the El-Sayed's rule.
View Article and Find Full Text PDFAlthough injuries are a leading cause of death and affect the life expectancy of individuals who live with disabilities globally, the potential role of air pollution exposure on injuries due to external causes has received little scientific attention, especially compared with that given to the association of air pollution and non-external causes of morbidity and mortality. We investigated the association between emergency department visits for externally caused injuries and short-term exposure to major ambient air pollutants, with focus on the intentions and mechanisms of injuries. We identified 2,049,855 injured patients in Seoul, South Korea between 2008 and 2016 using the National Emergency Database.
View Article and Find Full Text PDFPurpose: To evaluate the remineralization effect of calcium phosphate ion clusters (CPICs) on demineralized enamel surfaces and their effects on bracket shear bond strength.
Patients And Methods: Extracted premolars were prepared in resin blocks. The samples in the form of resin blocks were divided into five experimental groups: control group, demineralized group, and groups of CPIC solution treatment for 30, 60, and 90s.
A series of Ir- and Pt-based blue phosphorescent materials were theoretically investigated by means of density functional theory (DFT) calculations to improve their chemical stability in the excited state. High energy splitting between the lowest triplet state (T state), generally a metal-to-ligand charge transfer state (MLCT), and the triplet metal-centred state (MC) can prohibit ligand dissociation and suppress the decomposition reaction from the MC state to the dissociated S. Here, we suggest a new design strategy to improve the chemical stability of blue phosphorescent materials in the excited state.
View Article and Find Full Text PDFA high triplet energy host is developed using a silane moiety, 9-(4-(triphenylsilyl)dibenzo[b,d]furan-2-yl)-9H-carbazole (SiDBFCz), is designed through extensive density functional theory (DFT) calculations to obtain appropriate hole and electron injection barriers. The chemical hardness and the charge transport characteristics are comprehensively investigated to realize a bipolar host with high triplet energy over 2.9 eV for deep blue phosphorescent organic light-emitting diodes (PHOLEDs).
View Article and Find Full Text PDFCharge transport and electronic transition properties of a series of newly designed anthracene-based non-doped blue emitters were investigated by density functional theory calculations. For a highly efficient non-doped device, Cz3PhAn-based emitters were designed to suppress the hole and electron reorganization energies required for structural relaxation with respect to the changes of charged states. As a result, the hole hopping rates of triphenylamine (TPA) and phenylbenzimidazole (PBI) substituted Cz3PhAn derivatives (1, 4, and 5-7) were tremendously enhanced as compared to that of Cz3PhAn due to the suppression of the reorganization energy of holes, .
View Article and Find Full Text PDFProc Natl Acad Sci U S A
July 2017
The lung is a prototypic organ that was evolved to reduce immunopathology during the immune response to potentially hazardous endogenous and exogenous antigens. In this study, we show that donor CD4 T cells transiently induced expression of indoleamine 2,3-dioxygenase (IDO) in lung parenchyma in an IFN-γ-dependent manner early after allogeneic hematopoietic stem cell transplantation (HSCT). Abrogation of host IDO expression by deletion of the IDO gene or the IFN-γ gene in donor T cells or by FK506 treatment resulted in acute lethal pulmonary inflammation known as idiopathic pneumonia syndrome (IPS).
View Article and Find Full Text PDFFibrosis is the final pathological outcome of many chronic kidney diseases and is quite common. Thus, development of effective anti-fibrotic agents is urgently needed. Although histone deacetylases (HDACs) have been reported to be involved in renal fibrosis, current HDAC inhibitors are unsatisfactory anti-fibrosis drugs.
View Article and Find Full Text PDFThis study examined linkages between providing care for a parent (in contrast to not providing any care to other kin or nonkin) and four dimensions of physical health (self-rated health, functional limitations, physical symptoms, chronic conditions), as well as moderation of these linkages by gender and a negative dimension of marital quality--marital strain. Regression models were estimated using telephone and self-administered questionnaire data from 1080 married men and women who participated in the National Survey of Midlife in the U.S.
View Article and Find Full Text PDFOur previous study demonstrated that G-CSF treatment increased the expression of TLR2 in donor grafts; this contributed to rapid engraftment after allogeneic hematopoietic stem cell transplantation (HSCT) in mice. In the current study, we investigated the effects of upregulated TLR2 expression in G-CSF-mobilized donor grafts on acute graft-versus-host disease (GVHD). We found that TLR2 was highly expressed on myeloid cell populations but not T and B cells from the spleens of G-CSF-treated donor mice.
View Article and Find Full Text PDFObjectives: This study examined associations between providing caregiving for a biological or adoptive parent and clinically-assessed biological risk factors (allostatic load [AL] and its three subscales - inflammatory dysfunction, metabolic dysfunction, neuroendocrine dysfunction), as well as moderation of these associations by gender.
Method: Regression models were estimated using telephone and self-report data from 962 men and women who participated in the National Survey of Midlife in the U.S.
There is an ongoing need for explosive detection strategies to uncover threats to human security including illegal transport and terrorist activities. The widespread military use of the explosive trinitrotoluene (TNT) for landmines poses another particular threat to human health in the form of contamination of the surrounding environment and groundwater. The detection of explosives, particularly at low picogram levels, by using a molecular sensor is seen as an important challenge.
View Article and Find Full Text PDFThe generation of tryptophan (Trp) metabolites by indoleamine 2,3-dioxygenase (IDO) is an effective mechanism for T cell suppression. However, the effect of Trp metabolites on dendritic cells (DCs) remains unclear. Here, we investigated whether the tryptophan metabolite 3-hydroxyanthranilic acid (3-HAA) directly inhibits DC activation and is responsible for T cell suppression.
View Article and Find Full Text PDFThe heteroditopic crown ether-based ligand 1 containing the diazafluorenylimino group as a binding site for the Zn(2+) and Cs(+) was synthesized. The ligand 1 can be gelated in DMSO/water with and without Cs(+) in the presence of the Zn(2+) ion. Interestingly, the remarkable gelation reinforcement of gel 1 occurred with Cs(+) in the presence of Zn(2+), which is due to the formation of a sandwich complex.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2013
The enhancement of hydrogen storage in complexes of magnesium alanate ([Mg(AlH(4))(2)](n)(-) where n = 2, 3) and their anions was investigated using the B3LYP/6-311++G** method. Hydrogen atoms were chemically absorbed on [Mg(AlH(4))(2)](n)(-) (n = 2, 3) with binding energies of -83 to -91.23 kcal mol(-1).
View Article and Find Full Text PDFWe have studied the electrochemical and thermodynamic stability of Au(25)(SR)(18)(-), Au(38)(SR)(24), and Au(102)(SR)(44), R = CH(3), C(6)H(13), CH(2)CH(2)Ph, Ph, PhF, and PhCOOH, in order to examine ligand effects on the stability of thiol-stabilized gold nanoclusters, Au(m)(SR)(n). Aliphatic thiols, in general, have higher electrochemical and thermodynamic stability than aromatic thiols, and the -SCH(2)CH(2)Ph thiol is particularly appealing because of its high electrochemical and thermodynamic stability. The stabilization of Au(m) by nSR for Au(m)(SR)(n) can be rationalized by the stabilization of an Au atom by an SR for the simple molecule AuSR, regardless of interligand interaction and system size and shape.
View Article and Find Full Text PDFGO MOFs! Azobenzoic acid functionalized graphene (A-GO) can act as a structure-directing template that influences hydrogel formation together with metal-organic frameworks (MOFs). Zn(2+) MOFs of pyridine derivatives work as framework linkers between the A-GO sheets (MOF-A-GO, see figure). MOF-A-GO exhibits a strong fluorescence enhancement upon gel formation.
View Article and Find Full Text PDFBlue fluorescent materials with a 2-(diphenylamino)fluoren-7-ylvinylarene emitting unit and tert-butyl-based blocking units were synthesized. The photophysical properties of these materials, including UV/Vis absorption, photoluminescent properties, and HOMO-LUMO energy levels, were characterized and rationalized with quantum-mechanical DFT calculations. The electroluminescent properties of these molecules were examined through the fabrication of multilayer devices with a structure of indium-tin oxide, 4,4'-bis{N-[4-(N,N-di-m-tolylamino)phenyl]-N-phenylamino}biphenyl, 4'-bis[N-(1-naphthyl)-N-phenylamino]biphenyl, and blue materials doped in 2-methyl-9,10-di(2-naphthyl)anthracene/tris(8-quinolinolato)aluminum/LiF/Al.
View Article and Find Full Text PDFWe report the formation of a coordination polymeric hydrogel of a pyridine derivative with Cu(2+) and its efficiency as a delivery system for curcumin as a model hydrophobic drug.
View Article and Find Full Text PDF