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Adverse events (AEs) and concomitant medications (CMs) underreporting remains a recurrent issue in clinical trials. This study aimed to build a mapping relationship between the AE and CM using a random forest (RF) model that can be embedded in the current Electronic Data Capture (EDC) system, to enable a reliable detection of underreporting AE or CM. Current data including 524 AEs and 684 CMs for 13,905 individuals, were taken from three cancer clinical trials and six other studies that are non-public. An additional validation dataset was consisted of 448 independent patients with 269 unique AEs and 407 CMs from a cancer clinical trial on Paclitaxel. We found that the machine learning method exhibited in a learning task between AE and CM well for a common AE like hypertension that was caused by a single cause, but it was ineffective when the AE, such as the increased blood alkaline phosphatase, was caused by complex reasons or just an associated symptom of some diseases. This study suggests the potential of automatically detecting the underreported AE and CM in detail, and it will improve further safety and validity inspections from clinical trials. ABBREVIATIONS: AE, adverse event; ATC, anatomical therapeutic chemical; CM, concomitant medication; EDC, electronic data capture; FDA, Food and Drug Administration; GCP, good clinical practice; MedDRA, medical dictionary for regulatory activities; NMPA, National Medical Products Administration; PT, preferred term; RCT, randomized controlled trial; RF, random forests; SDV, source data verification; VIM, variable importance measure [ABSTRACT FROM AUTHOR]

The formation of the extended thin disc is the most spectacular event of our Galaxy in the past ∼8 Gyr. To unveil this process, obtaining precise and accurate stellar ages for a large sample of stars is essential although challenging. In this work, we present the asteroseismic age determination of 5306 red giant branch stars using Kepler and LAMOST data, with a thorough examination of how the age determination is affected by the choice of different temperature scales and stellar models. Thanks to the high precision of the asteroseismic and spectroscopic parameters of our sample stars, we are able to achieve age determination with an average accuracy of 12 per cent. However, the age determination is sensitively dependent on the adopted temperature scale, as 50 K difference in effective temperature may cause larger than 10 per cent systematic uncertainty in the age estimates. Using the ages derived with the most plausible set of the temperature scale, we study the age distribution of the chemical thin disc stars, and present an estimate of the formation epoch of the first Galactic thin disc stars. We find that the first (oldest) thin disc stars have an age of |$9.5^{+0.5(\rm rand.)+0.5(\rm sys.)}_{-0.4(\rm rand.)-0.3(\rm sys.)}$|  Gyr, where the systematic uncertainties reflect ages estimated using different stellar evolutionary models. At this epoch, the Galactic thick disc was still forming stars, indicating there is a time window when both the thin and thick discs of our Galaxy were forming stars together. Moreover, we find that the first thin disc stars exhibit a broad distribution of Galactocentric radii, suggesting that the inner and outer thin discs began to form simultaneously. [ABSTRACT FROM AUTHOR]

The global challenges of sustainability are encapsulated in the UN Sustainable Development Goals (SDGs), to which 193 member states are committed. However, a key challenge remains in identifying appropriate methods, indicators, and the ability to monitor progress towards these 2030 Agenda goals. Citizen Science (CS), as a scientific activity in which non-professionals voluntarily participate and cooperate with experts, has been used in Western countries to meet this challenge. Whether it also applies to achieving the SDGs of Asian countries like China is a question that needs to be answered with evidence. On this basis, the tasks of this study are twofold: first, through a literature review, we identify CS projects relevant to water that are happening in China; Second, we analyse the selected projects from three dimensions (scientific, participant, socio-ecological and economic) under an adjusted CS evaluation framework to determine their suitability in China. The results show that at least 19 water-related citizen science projects emerged in China since 2005, most of which are dedicated to improving water quality, with a few focusing on biodiversity monitoring. Multiple stakeholders, including non-governmental (NGO)/non-profit (NPO) organisations, academic institutions, governments and companies participate in these activities, with NGOs accounting for the most. CS has not expanded rapidly in the past 15 years, but most of the projects are still active, which shows the possibility of CS's further development in China after a good strategic framework has been formulated. [ABSTRACT FROM AUTHOR]

We present a catalogue of stellar age and mass estimates for a sample of 640 986 red giant branch (RGB) stars of the Galactic disk from the LAMOST Galactic Spectroscopic Survey (DR4). The RGB stars are distinguished from the red clump (RC) stars utilizing period spacing derived from the spectra with a machine-learning method based on kernel principal component analysis (KPCA). Cross-validation suggests our method is capable of distinguishing RC from RGB stars with an only 2 per cent contamination rate for stars with signal-to-noise ratio (SNR) higher than 50. The ages and masses of these RGB stars are determined from their LAMOST spectra with the KPCA method by taking the LAMOST- Kepler giant stars having asteroseismic parameters and the LAMOST-TGAS sub-giant stars based on isochrones as training sets. Examination suggests that the age and mass estimates of our RGB sample stars with SNR > 30 have a median error of 30 per cent and 10 per cent, respectively. Stellar ages are found to exhibit positive vertical and negative radial gradients across the disk, and the age structure of the disk is strongly flared across the whole disk of 6 < R < 13 kpc. The data set demonstrates good correlations among stellar age, [Fe/H], and [α/Fe]. There are two separate sequences in the [Fe/H]–[α/Fe] plane: a high-α sequence with stars older than ∼ 8 Gyr and a low-α sequence composed of stars with ages covering the whole range of possible ages of stars. We also examine relations between age and kinematic parameters derived from the Gaia DR2 parallax and proper motions. Both the median value and dispersion of the orbital eccentricity are found to increase with age. The vertical angular momentum is found to fairly smoothly decrease with age from 2 to 12 Gyr, with a rate of about −50 kpc km s−1 Gyr−1. A full table of the catalogue is publicly available online http://dr4.lamost.org/doc/vac. [ABSTRACT FROM AUTHOR]

Bacteriocin CAMT2, produced by Bacillus amyloliquefaciens ZJHD3-06, has been shown to exhibit protective activity against important food spoilage and food-borne bacterial pathogens. This study was conducted to investigate the mode of action of bacteriocin CAMT2 against highly pathogenic Listeria monocytogenes ATCC 19111. The addition of bacteriocin CAMT2 at 64 AU/ml inhibited L. monocytogenes ATCC 19111. An efflux of K+ ions, lactic acid dehydrogenase and an increase in extracellular electrical conductivity was observed in CAMT2-treated L. monocytogenes. Electron microscopy showed morphological alterations such as uneven cell surface, accumulation of cell debris and bacterial lysis. These results show that bacteriocin CAMT2 inhibit L. monocytogenes by increasing cell permeability and inducing membrane damage, hence it has the great application potentials in ensuring food safety. [ABSTRACT FROM AUTHOR]

It is unclear if the association between rheumatoid arthritis (RA) and a higher risk of prostate cancer (Pca) reflects a causal relationship. We conducted a meta-analysis and used the Mendelian randomization method (MR) to evaluate the association between RA and Pca risk. A meta-analysis and subgroup analysis of the incidence of Pca in patients with RA was conducted. To determine whether genetically elevated RA levels were causally linked to Pca, two MR samples were employed. To eliminate gender-related bias, we conducted a stratified analysis of the GWAS data for RA by gender, specifically including 140,254 males. Additional MR analysis was also performed to determine potential confounding factors influencing the association between genetically susceptible RA and Pca. In total, 409,950 participants were enrolled in 20 trials to investigate the Pca risk in patients with RA. The meta-analysis suggested that RA was unrelated to the Pca risk (SIR = 1.072, 95% CI, 0.883–1.261). However, a subgroup analysis showed that low smoking rates might increase the Pca risk in patients with RA by 24%. The MR analysis showed that increased genetic susceptibility to RA was related to a high Pca risk (OR = 36.20, 95%CI = 1.24–1053.12, P = 0.037). The causality estimation of MR-Egger, Weighted mode, Simple mode, and Weighted median method were similar in direction and magnitude. Although our meta-analysis found no correlation between RA and Pca risk, MR analyses supported a causal relationship between genetic susceptibility to RA and increased prostate risk. Early attention to Pca risk in patients with RA may be important for improving prognosis and mortality in such patients. Further research is needed to determine the etiology of RA attributed to Pca and its underlying mechanisms. [ABSTRACT FROM AUTHOR]

Background: Current observational studies suggest that there may be a causal relationship between systemic lupus erythematosus (SLE) and prostate cancer (PC). However, there is contradictory evidence. This study aimed to investigate and clarify the association between SLE and PC. Methods: We searched PubMed, Embase, Web of Science, and Scopus until May 2022. A meta-analysis was conducted on the standard incidence rate (SIR) and 95% CI. Subgroup analysis was performed based on the follow-up duration, study quality, and appropriate SLE diagnosis. Mendelian randomization (MR) of the two samples was used to determine whether genetically elevated SLE was causal for PC. Summary MR data were obtained from published GWASs, which included 1,959,032 individuals. The results were subjected to sensitivity analysis to verify their reliability. Results: In a meta-analysis of 79,316 participants from 14 trials, we discovered that patients with SLE had decreased PC risk (SIR, 0.78; 95% CI, 0.70–0.87) significantly. The MR results showed that a one-SD increase in genetic susceptibility to SLE significantly reduced PC risk (OR, 0.9829; 95% CI, 0.9715–0.9943; P = 0.003). Additional MR analyses suggested that the use of immunosuppressants (ISs) (OR, 1.1073; 95% CI, 1.0538–1.1634; P < 0.001), but not glucocorticoids (GCs) or non-steroidal anti-inflammatory drugs (NSAIDs), which were associated with increased PC risk. The results of the sensitivity analyses were stable, and there was no evidence of directional pleiotropy. Conclusions: Our results suggest that patients with SLE have a lower risk of developing PC. Additional MR analyses indicated that genetic susceptibility to the use of ISs, but not GCs or NSAIDs, was associated with increased PC risk. This finding enriches our understanding of the potential risk factors for PC in patients with SLE. Further study is required to reach more definitive conclusions regarding these mechanisms. [ABSTRACT FROM AUTHOR]

• Three-coordinate copper(I) complexes bearing POP and monodentate substituted-quinoline ligands were synthesized and characterized. • The electron-donating/withdrawing groups including methoxyphenyl and trifluoromethylphenyl groups were inserted into the complexes. • Cu(I) complexes exhibited yellow-green emissions at 542-558 nm with longer excited-state lifetimes of 179–487 µs. • The photophysical properties were explained by DFT and TDDFT calculations. The three-coordinate Cu(I) complexes [Cu(POP)(X)]PF 6 , X = quinoline (P1), 2-(4-methoxyphenyl)quinoline (P2), 2-(4-(trifluoromethyl)phenyl)quinoline (P3), POP = bis[(2-diphenylphosphino)phenyl] ether were synthesized and characterized. The photophysical properties of these Cu(I) complexes were tuned by the addition of organic groups including methoxyphenyl and trifluoromethylphenyl groups into the quinoline ligand. The resulting complexes exhibit the metal-to-ligand charge transfer (MLCT) band in the lower energy. The emissions for all the complexes in solid state are in the range of 542–558 nm with higher quantum yields of 11.4–14.2% and long-lived excited lifetimes of 179–481 µs at room temperature. The photophysical properties were further explained by DFT and TDDFT methods. [Display omitted] [ABSTRACT FROM AUTHOR]

Cancer suppression through the inhibition of N-acetyltransferase 10 (NAT10) by its specific inhibitor Remodelin has been demonstrated in a variety of human cancers. Here, we report the inhibitory effects of Remodelin on prostate cancer (PCa) cells and the possible associated mechanisms. The prostate cancer cell lines VCaP, LNCaP, PC3, and DU145 were used. The in vitro proliferation, migration, and invasion of cells were measured by a cell proliferation assay, colony formation, wound healing, and Transwell assays, respectively. In vivo tumor growth was analyzed by transplantation into nude mice. The inhibition of NAT10 by Remodelin not only suppressed growth, migration, and invasion in vitro, but also the in vivo cancer growth of prostate cancer cells. The involvement of NAT10 in DNA replication was assessed by EdU labeling, DNA spreading, iPOND, and ChIP-PCR assays. The inhibition of NAT10 by Remodelin slowed DNA replication. NAT10 was detected in the prereplication complex, and it could also bind to DNA replication origins. Furthermore, the interaction between NAT10 and CDC6 was analyzed by Co-IP. The altered expression of NAT10 was measured by immunofluorescence staining and Western blotting. Remodelin markedly reduced the levels of CDC6 and AR. The expression of NAT10 could be altered under either castration or noncastration conditions, and Remodelin still suppressed the growth of in vitro-induced castration-resistant prostate cancers. The analysis of a TCGA database revealed that the overexpression of NAT10, CDC6, and MCM7 in prostate cancers were correlated with the Gleason score and node metastasis. Our data demonstrated that Remodelin, an inhibitor of NAT10, effectively inhibits the growth of prostate cancer cells under either no castration or castration conditions, likely by impairing DNA replication. [ABSTRACT FROM AUTHOR]

Background: Body mass index (BMI) has been found to be associated with a decreased risk of non-small cell lung cancer (NSCLC); however, the effect of BMI trajectories and potential interactions with genetic variants on NSCLC risk remain unknown.Methods: Cox proportional hazards regression model was applied to assess the association between BMI trajectory and NSCLC risk in a cohort of 138,110 participants from the Prostate, Lung, Colorectal, and Ovarian (PLCO) Cancer Screening Trial. One-sample Mendelian randomization (MR) analysis was further used to access the causality between BMI trajectories and NSCLC risk. Additionally, polygenic risk score (PRS) and genome-wide interaction analysis (GWIA) were used to evaluate the multiplicative interaction between BMI trajectories and genetic variants in NSCLC risk.Results: Compared with individuals maintaining a stable normal BMI (n = 47,982, 34.74%), BMI trajectories from normal to overweight (n = 64,498, 46.70%), from normal to obese (n = 21,259, 15.39%), and from overweight to obese (n = 4,371, 3.16%) were associated with a decreased risk of NSCLC (hazard ratio [HR] for trend = 0.78, P < 2×10-16). An MR study using BMI trajectory associated with genetic variants revealed no significant association between BMI trajectories and NSCLC risk. Further analysis of PRS showed that a higher GWAS-identified PRS (PRSGWAS) was associated with an increased risk of NSCLC, while the interaction between BMI trajectories and PRSGWAS with the NSCLC risk was not significant (PsPRS= 0.863 and PwPRS= 0.704). In GWIA analysis, four independent susceptibility loci (P < 1×10-6) were found to be associated with BMI trajectories on NSCLC risk, including rs79297227 (12q14.1, located in SLC16A7, Pinteraction = 1.01×10-7), rs2336652 (3p22.3, near CLASP2, Pinteraction = 3.92×10-7), rs16018 (19p13.2, in CACNA1A, Pinteraction = 3.92×10-7), and rs4726760 (7q34, near BRAF, Pinteraction = 9.19×10-7). Functional annotation demonstrated that these loci may be involved in the development of NSCLC by regulating cell growth, differentiation, and inflammation.Conclusions: Our study has shown an association between BMI trajectories, genetic factors, and NSCLC risk. Interestingly, four novel genetic loci were identified to interact with BMI trajectories on NSCLC risk, providing more support for the aetiology research of NSCLC.Trial Registration: http://www.Clinicaltrials: gov , NCT01696968 . [ABSTRACT FROM AUTHOR]

Main-sequence turn-off (MSTO) stars and subgiant stars are good tracers of Galactic populations. We present a study of 41 034 MSTO and subgiant stars from the GALAH survey. Using a grid of stellar models that accounts for the variation of O abundances, we determine their ages with a median age uncertainty of ∼9.4 per cent. Our analysis reveals that the ages of high-O stars based on O-enhanced models are smaller than those determined with α-enhanced models, resulting in a mean fractional age difference of −5.3 per cent at [O/α] = 0.2 and −11.0 per cent at [O/α] = 0.4. This age difference significantly impacts the age distribution of thick disc and halo stars, leading to a steeper downward trend in the [Fe/H]–age plane from 8 to 14 Gyr, indicating a shorter formation time-scale and a faster chemical-enhanced history for these populations. We confirm the V-shape of the normalized age-metallicity distribution p (τ∣[Fe/H]) of thin disc stars, which is presumably a consequence of the second gas infall. Additionally, we find that the halo stars in our sample can be divided into two sequences, a metal-rich sequence (Splash stars) and a metal-poor sequence (accreted stars), with the Splash stars predominantly older than 9 Gyr and the accreted halo stars older than 10 Gyr. Finally, we observe two distinct sequences in the relations between various chemical abundances and ages for disc stars, namely a young sequence with ages < ∼8 Gyr and an old sequence with ages > ∼8 Gyr. [ABSTRACT FROM AUTHOR]

Background: Prostate cancer (PCa) is a common malignant tumor of the genitourinary system. Clinical intervention in advanced PCa remains challenging. Tropomyosins 2 (TPM2) are actin-binding proteins and have been found as a biomarker candidate for certain cancers. However, no studies have explored the role of TPM2 in PCa and its regulatory mechanism. Methods: TPM2 expression was assessed in Gene Expression Omnibus (GEO) and the Cancer Genome Atlas (TCGA) PCa patient dataset. The effect of TPM2 on PCa progression was assessed in vitro and in vivo by quantifying proliferation, migration, invasion and tumor growth assays, and the mechanism of TPM2 in PCa progression was gradually revealed by Western blotting, immunoprecipitation, and immunofluorescence staining arrays. Results: TPM2 was found to be severely downregulated in tumor tissues of PCa patients compared with tumor-adjacent normal tissues. In vitro experiments revealed that TPM2 overexpression inhibited PCa cell proliferation, invasion and androgen-independent proliferation. Moreover, TPM2 overexpression inhibited the growth of subcutaneous xenograft tumors in vivo. Mechanistically, this effect was noted to be dependent on PDZ-binding motif of TPM2. TPM2 competed with YAP1 for binding to PDLIM7 through the PDZ-binding motif. The binding of TPM2 to PDLIM7 subsequently inhibited the nuclear transport function of PDLIM7 for YAP1. YAP1 sequestered in the cytoplasm phosphorylated at S127, resulting in its inactivation or degradation which in turn inhibited the expression of YAP1 downstream target genes. Conclusions: This study investigated the role of TPM2, PDLIM7, and YAP1 in PCa progression and castration resistance. TPM2 attenuates progression of PCa by blocking PDLIM7-mediated nuclear translocation of YAP1. Accordingly, targeting the expression or functional modulation of TPM2, PDLIM7, or YAP1 has the potential to be an effective therapeutic approach to reduce PCa proliferation and prevent the progression of castration-resistant prostate cancer (CRPC). [ABSTRACT FROM AUTHOR]

[Display omitted] • Four-coordinate N-heterocyclic carbene (NHC) Cu(I) complexes with nonconjugated NHC ligand are synthesized and characterized. • The photophysical properties of the corresponding complexes is studied. • Complexes show deep blue emission in 452–466 nm region. • DFT and TDDFT calculations were employed to rationalize the photophysical properties. In the present study, a series of the four-coordinate N-hetercycle carbene (NHC) copper (I) complexes [Cu(MethyIm-Meth-benzTriazole)(POP)]PF 6 (P1), [Cu(BenzyIm-Meth-benzTriazole)(POP)]PF 6 (P2), and [Cu(BenzyBenzoIm-Meth-benzTriazole)(Xantphos)]PF 6 (P3), MethyIm-Meth-benzTriazole = 1-((1-benzyl-1 H -1,2,3-triazol-4-yl)methyl)-3-methyl-1 H -imidazolylidene, BenzyIm-Meth-benzTriazole = 1-((1-benzyl-1 H- 1,2,3-triazol-4-yl)methyl)-3-phenyl-1 H -imidazolylidene, BenzyBenIm-Meth-benzTriazole = 3-benzyl-1-((1-benzyl-1 H -1,2,3-triazol-4-yl)methyl)-1 H -benzo[d]imidazolylidene, POP = bis[(2-diphenylphosphino)phenyl]ether, have been synthesized and characterized. The molecular structure of P2 has been established by single-crystal X-ray diffraction study. The addition of the methylene spacer into the NHC ligand effectively breaks the π-conjugation of the ligand, resulting in a larger HOMO-LUMO energy gap. In the solid state, P1 – P3 exhibit deep blue emission in the range of 452–466 nm with the excited-state lifetimes (τ) of 14.9–16.2 μs and the emission quantum yields (Φ) of 8.50–11.9 % at room temperature. Additionally, the photophysical properties are explained by using density functional theory (DFT) and time dependent DFT. [ABSTRACT FROM AUTHOR]

In the present study, a series of the four-coordinate N-hetercycle carbene (NHC) copper (I) complexes [Cu(Ph-Im-cyPy)(Xantphos)]PF 6 (P1), [Cu(DimBenPh-Im-cyPy)(Xantphos)]PF 6 (P2), and [Cu(BenDimBenIm-CNPy)(Xantphos)]PF 6 (P3), Ph-Im-cyPy=3-benzyl-1-(4-cyano-pyridin-2-yl)-1 H -imidazolylidene, DimBenPh-Im-cyPy=3-(3,5-dimethylbenzyl-1-(4-cyano-pyridin-2-yl)-1 H -imidazolylidene, BenDimBenIm-CNPy=3-benzyl-1-(4-cyano-pyridin-2-yl)-1 H -5,6-dimethylbenzimidazolylidene, Xantphos=9,9-dimethyl-4,5-bis(diphenylphosphino)-9 H -xanthene, have been synthesized and characterized. The molecular structures of P1 – P3 have been established by single-crystal X-ray diffraction study. In the solid state, P1 – P3 exhibit orange-red emission in the range of 621–643 nm with shorter excited-state lifetimes (τ) of 5.73–6.42 μs and the emission quantum yields (Φ) of 1.0–3.9 % at room temperature. Additionally, the photophysical properties are explained by using density functional theory (DFT) and time dependent DFT. [Display omitted] [ABSTRACT FROM AUTHOR]

A series of copper(I) complexes bearing benzothiazole-imidazolylidene-type N -heterocyclic carbene (NHC) ligands are reported. All the complexes emit bright yellow-green light (λ em = 543–551 nm) with higher emission quantum yields of 24.9–44.1% and excited state lifetimes on the microsecond scale (t = 13.7–32.7 μs) in PMMA films. [Display omitted] The synthesis and photophysical investigation of a series of copper(I) complexes bearing benzothiazole-imidazolylidene-type N -heterocyclic carbene (NHC) ligands are reported. Their photophysical properties are tuned by adjusting the different substituens at 6-position of the benzothiazole ring. C1 and C2 exhibit the lowest-lying metal-to-ligand charge transfer (MLCT) absorption bands at 325–400 nm, while the MLCT band of C3 is almost unresolved owing to the blue shift of this band. Upon excitation with UV light all the complexes emit bright yellow-green light (λ em = 543–551 nm) with higher emission quantum yields of 24.9–44.1% and excited state lifetimes on the microsecond scale (τ = 13.7–32.7 μs) in PMMA films. Additionally, the electronic properties, absorption and emission profiles of these complexes were further explored using DFT/TDDFT methods. [ABSTRACT FROM AUTHOR]

Background: Acute kidney injury (AKI) is a major complication following cardiac surgery that substantially increases morbidity and mortality. Current diagnostic guidelines based on elevated serum creatinine and/or the presence of oliguria potentially delay its diagnosis. We presented a series of models for predicting AKI after cardiac surgery based on electronic health record data.Methods: We enrolled 1457 adult patients who underwent cardiac surgery at Nanjing First Hospital from January 2017 to June 2019. 193 clinical features, including demographic characteristics, comorbidities and hospital evaluation, laboratory test, medication, and surgical information, were available for each patient. The number of important variables was determined using the sliding windows sequential forward feature selection technique (SWSFS). The following model development methods were introduced: extreme gradient boosting (XGBoost), random forest (RF), deep forest (DF), and logistic regression. Model performance was accessed using the area under the receiver operating characteristic curve (AUROC). We additionally applied SHapley Additive exPlanation (SHAP) values to explain the RF model. AKI was defined according to Kidney Disease Improving Global Outcomes guidelines.Results: In the discovery set, SWSFS identified 16 important variables. The top 5 variables in the RF importance matrix plot were central venous pressure, intraoperative urine output, hemoglobin, serum potassium, and lactic dehydrogenase. In the validation set, the DF model exhibited the highest AUROC (0.881, 95% confidence interval [CI] 0.831-0.930), followed by RF (0.872, 95% CI 0.820-0.923) and XGBoost (0.857, 95% CI 0.802-0.912). A nomogram model was constructed based on intraoperative longitudinal features, achieving an AUROC of 0.824 (95% CI 0.763-0.885) in the validation set. The SHAP values successfully illustrated the positive or negative contribution of the 16 variables attributed to the output of the RF model and the individual variable's effect on model prediction.Conclusions: Our study identified 16 important predictors and provided a series of prediction models to enhance risk stratification of AKI after cardiac surgery. These novel predictors might aid in choosing proper preventive and therapeutic strategies in the perioperative management of AKI patients. [ABSTRACT FROM AUTHOR]

A series of six N -heterocyclic carbene (NHC) copper(I) complexes bearing benzimidazolylidene-type carbene ligands with different substituents are reported. All complexes emit bright yellow-green light (λ em = 540–573 nm) with higher photoluminescence quantum yields (PLQY) of 21.1–55.6 % and excited state lifetimes on the microsecond scale (τ = 30.6–62.1 μs) in PMMA films. [Display omitted] The synthesis and photophysical investigation of a series of six copper(I) complexes bearing benzimidazolylidene–type N–heterocyclic carbene (NHC) ligands with different groups are reported. Their photophysical properties can be tuned by adjusting the groups at the R 1 /R 2 positions of the pyridine ring. The lowest-lying metal–to–ligand (MLCT) absorption bands at 325–437 nm can be observed for all the complexes. Upon excitation with UV light all the complexes emit bright yellow-green light (λ em = 540–573 nm) with higher emission quantum yields of 21.1–55.6% and excited state lifetimes on the microsecond scale (τ = 30.6–62.1 μs) in PMMA films. The substituents (R 2 = COCH 3 , F, Br, CH 3 , or OCH 3) on R 2 –position of the pyridine ring were shown to have effects on the emission wavelengths of these complexes, while the introduction of R 1 substituents (R 1 = CH 3) shows negligible effects on the emission wavelength but allow the enhancement of photoluminescence quantum yield (Φ) of the complexes. Additionally, the electronic properties, absorption and emission profiles of these complexes were further explored using DFT/TDDFT methods. [ABSTRACT FROM AUTHOR]

[Display omitted] • Dinuclear N-heterocyclic carbene (NHC) Cu(I) complexes bearing the mixed bis-NHC and POP ligands are synthesized and characterized. • Complexes show intense yellow-green emission in 531–571 nm region originated from the delayed fluorescence. • The photophysical properties were rationalized by DFT and TDDFT calculations. • Green and yellow light-emitting diodes and anti-counterfeiting applications were fabricated successfully. Here, a series of dinuclear N-heterocyclic carbene (NHC) copper(I) complexes having 3,3′-(1,4-phenylenebis(methylene))bis(1-(pyridin-2-yl)-1H-imidazolylidene as bis-NHC ligand and bis[(2-diphenylphosphino)phenyl]ether (POP) as auxiliary ligand have been successfully prepared, and their photophysical properites were investigaged experimentally and theocitcally. The resulting complexes all exhibited intense green to yellow emission that originated from the thermally activated delayed fluorescence (TADF) with a high photoluminescence quantum yield of up to 0.67 and longer excited-state lifetimes on the microsecond time scale in the solid state. Green and yellow light-emitting diode (LED) devices based on Cu(I) complexes have successfully achieved good color rendering indices. Moreover, the anti-counterfeiting patterns and QR codes made of Cu(I) complexes have been applied to clothing, banknotes, books and glass plates with excellent anti-counterfeiting effects. [ABSTRACT FROM AUTHOR]

[Display omitted] • Four-coordinate N-heterocyclic carbene (NHC) Cu(I) complexes with various substituents are synthesized and characterized. • The photophysical properties of the corresponding complexes is studied. • Complexes exbihit bright photoluminescence with orange-red color. • DFT and TDDFT calculations were employed to rationalize the photophysical properties. Herein, three four-coordinate N-hetercycle carbene (NHC) copper (I) complexes of the types [Cu(BenDimBenIm-CHOPy)(POP)]PF 6 (P1), [Cu(BenDimBenIm-CNPy)(POP)]PF 6 (P2), and [Cu(DimbenDimBenIm-CNPy)(POP)]PF 6 (P3) (BenDimBenIm-CHOPy = 3-benzyl-1-(5-formyl -pyridin-2-yl)-1 H -5,6-dimethylbenzimidazolylidene, BenDimBenIm-CNPy = 3-benzyl-1-(5-cyano -pyridin-2-yl)-1 H -5,6-dimethylbenzimidazolylidene, DimbenDimBenIm-CNPy = 3-(3,5-dimethylbenzyl-1-(5-cyano-pyridin-2-yl)-1 H -5,6-dimethylbenzimidazolylidene, POP = bis[2-diphenylphosphino]-phenyl)ether) have been prepared and investigated. All complexes exhibit the lowest energy metal-to-ligand charge transfer (MLCT) characters in 320–360 nm region showing a slight blue-shift of the absorption maxima in the order P1 > P2 > P3. The emissive wavelength can be fine-tuned to cover the orange-red spectral range of 615−638 nm with higher photoluminescence quantum yields (PLQY) of 17.6–40.3 %. Additionally, the photophysical properties are also investigated theoretically using density functional theory (DFT) and time dependent DFT. [ABSTRACT FROM AUTHOR]

We characterize the kinematic and chemical properties of 589 Galactic anticenter substructure stars (GASS) with K/M giants in integrals-of-motion space. These stars likely include members of previously identified substructures such as Monoceros, A13, and the Triangulum-Andromeda cloud. We show that these stars are in nearly circular orbits on both sides of the Galactic plane. We can see a velocity (VZ) gradient along Y-axis especially for the south GASS members. Our GASS members have similar energy and angular momentum distributions to thin-disk stars. Their location in [α/M] versus [M/H] space is more metal-poor than typical thin-disk stars, with [α/M] lower than that of the thick disk. We infer that our GASS members are part of the outer metal-poor disk stars and that the outer disk extends to 30 kpc. Considering the distance range and α-abundance features, GASS could be formed after the thick disk was formed due to the molecular cloud density decreasing in the outer disk where the star-formation rate might be less efficient compared to the inner disk. [ABSTRACT FROM AUTHOR]

• Four-coordinate N -heterocyclic carbene (NHC) Cu(I) complexes having the pyridyl-imidazolylidene ligand are synthesized and characterized. • The photophysical properties of the resulting complexes is investigated. • Complexes show yellow-green emission in 543–555 nm region with the higher photoluminescence efficiency. • DFT and TDDFT calculations are taken to support the differences of the photophysical properties. The synthesis, characterization and photophysical properties of a series of the four-coordinate N -heterocyclic carbene (NHC) copper(I) complexes are reported. These NHC-Cu(I) complexes contain two bidentate ligands, the R -substituted pyridyl-imidazolylidene-type ligand and diphosphine ligand bis [(2-diphenylphosphino)phenyl] ether (POP). The photophysical properties of these complexes can be adjusted depending on the nature of substituents at 4-position of the phenyl ring in the NHC ligand. The metal-to-ligand charge transfer (MLCT) absorption band can be observed for all complexes at 348–362 nm, and the emission wavelengths can be fine-tuned to cover the spectral range of 543–555 nm with the higher photoluminescence efficiency of up to 66.2% in the solid state. Density functional theory (DFT) and time dependent density functional theory (TDDFT) calculations were employed to support potophysical properties of the NHC-Cu(I) complexes. [Display omitted] [ABSTRACT FROM AUTHOR]

• Four-coordinate N-heterocyclic carbene (NHC) Cu(I) complexes bearing different diphosphine ligands are synthesized and characterized. • The photophysical properties of the resulting complexes is investigated. • Complexes show yellow-green emission in 525–555 nm region with the phosphorescent origin. • The differences of the photophysical properties were rationalized by DFT and TDDFT calculations. Here, we report a series of the four-coordinate N-heterocyclic carbene (NHC) copper(I) complexes having the same bidenate NHC ligand and different bisphosphine (P^P) ligands, [Cu(CNbenPy-benzIm)(Naphphos)]PF 6 (P1), [Cu(CNbenPy-benzIm)(cyc-xantphos)]PF 6 (P2), and [Cu(CNbenPy-benzIm)(xantphos)]PF 6 (P3), (CNbenPy-benzIm = 3-(3-cyanobenzyl)-1-(5-phenylpyridin-2-yl)-1 H -imidazolylidene; BINAP = 2,2′-bis(diphenylphosphino)-1,1′-binaphthalene; cyc-xantphos = (9,9-dimethyl-9 H -xanthene-4,5-diyl)bis(dicyclohexylphosphine), xantphos = 9,9-dimethyl-9 H -xanthene-4,5-diyl)bis(diphenylphosphine)). P1 exhibits the metal-to-ligand charge transfer (MLCT) absorption band at 366 nm with high molar extinction coefficient of 2.44 × 104 M−1 cm−1, while P2 and P3 show a blue-shift of the MLCT absorption band at 336–341 nm with the molar extinction coefficients of 0.82–1.16 × 104 M−1 cm−1, which are just a little lower than that of P1. The emission wavelengths of all NHC-Cu(I) complexes can be fine-tuned to cover the spectral range of 525–555 nm with the phosphorescent origin in PMMA films. P1 has the lowest photoluminescence efficiency of 5.50% with the red-shifted emission wavelength at 555 nm and the emission lifetime of 237 μs, whereas P3 show the highest photoluminescence efficiency of 39.5% with the blue-shifted emission wavelength at 525 nm and the emission lifetime of 64.4 μs. The differences for photophysical properties of NHC-Cu(I) complexes were rationalized using density functional theory (DFT) and time dependent density functional theory (TDDFT) calculations. [Display omitted] [ABSTRACT FROM AUTHOR]

• Four-coordinate N-heterocyclic carbene (NHC) Cu(I) complexes with thiazole/benzoxazole moiety are synthesized and characterized. • The photophysical properties of the resulting complexes is investigated. • Complexes show blue-green emission in 517–551 nm region with the phosphorescent origin. • The differences of the photophysical properties were rationalized by DFT and TDDFT calculations. Here, we report a series of the four-coordinate N-heterocyclic carbene (NHC) copper(I) complexes with imidazolylidene and POP ligands, [Cu(BenzThiazolyl-Im)(POP)]PF 6 (P1), [Cu(BenzThiazolyl-BenIm)(POP)]PF 6 (P2), [Cu(BenzBenzoxazolyl-Im)(POP)]PF 6 (P3), and [Cu(BenzBenzoxazolyl-BenIm)(POP)]PF 6 (P4), (BenzThiazolyl-Im=3-benzyl-1-(thiazol-2-yl)-1 H -imidazolylidene, BenzThiazolyl-BenIm=3-benzyl-1-(thiazol-2-yl)-1 H -Benzoimidazolylidene BenzBenzoxazolyl-Im=3-benzyl-1-(benzoxazol-2-yl)-1 H -imidazolylidene, BenzBenzoxazolyl-BenIm=3-benzyl-1-(benzocazol-2-yl)-1 H -imidazolylidene, POP=bis[2-diphenylphosphino]-phenyl)ether). Thiazole/benzoxazole moiety were functionalized onto imidazolylidene ligand to tune the photophysical properties of the corresponding complexes. P1 and P2 exhibit the metal-to-ligand charge transfer (MLCT) absorption band with the onset at 406–412 nm, while P3 and P4 have similar MLCT band with the onset at 380–389 nm. The emission wavelengths of all NHC Cu(I) complexes can be fine-tuned to cover the spectral range of 517–551 nm with the phosphorescent origin in PMMA films. P2 show the highest photoluminescence efficiency of 40.9% with the red-shifted emission wavelength at 551 nm, whereas P4 has the lowest photoluminescence efficiency of 1.80% with the blue-shifted emission wavelength at 517 nm. Density functional theory (DFT) and time dependent density functional theory (TDDFT) calculations were employed to rationalize the differences for photophysical properties of the NHC Cu(I) complexes. [Display omitted] [ABSTRACT FROM AUTHOR]

The three novel copper (I) complexes bearing Schiff base ligands are reported. The different groups such as methoxyphenyl, adamantyl and diisopropylphenyl were functionalized onto the azomethine moiety of the Schiff base ligands to tune the photophysical behaviors of the resulting Schiff base Cu(I) complexes. All the complexes exhibit the higher molar extinction coefficients on the order of 104 M−1 cm−1. The photophysical properties are investigated theoretically using density functional theory (DFT) and time dependent DFT. [Display omitted] Herein, the three novel copper (I) complexes bearing Schiff base ligands of the types [Cu(Methoxyphenyl-NaphthylPyridyl-Meth-Aniline)(POP)]PF 6 (P1), [Cu(NaphthylPy-Methylene-Adam-Amine)(POP)]PF 6 (P2), and [Cu(Dipp-NaphthylPyridyl-Meth-Aniline)(POP)]PF 6 (P3) (Methoxyphenyl-NaphthylPyridyl-Meth-Aniline = 4-methoxyphenyl-N-((5-(naphthalen-1-yl)pyridin-2-yl)methylene)aniline, NaphylPy-Methylene-Adam-Amine = N-((5-(naphthalen-1-yl)pyridin-2-yl)methylene)adamantan-1-amine, Dipp-NaphylPyridyl-Meth-Aniline = 2,6-diisopropylphenyl-N-((5-(naphthalen-1-yl)pyridin-2-yl)methylene)aniline, POP = bis[2-diphenylphosphino]-phenyl)ether) have been prepared and investigated. The different groups such as methoxyphenyl, adamantyl and diisopropylphenyl were functionalized onto the azomethine unit of the Schiff base ligands to tune the photophysical behaviors of the resulting Schiff base Cu(I) complexes. All the complexes exhibit the lowest energy metal-to-ligand charge transfer (MLCT) characters in the visible region with higher molar extinction coefficients on the order of 104 M−1 cm−1, making them much attractive as photosensitizers in optoelectronic and light-harvesting applications. Blue-green emissions in the region of 479–513 nm with photoluminescence quantum yields (PLQY) of 0.8–1.2 % can be observed in CH 2 Cl 2 solution. Additionally, the photophysical properties are also investigated theoretically using density functional theory (DFT) and time dependent DFT. [ABSTRACT FROM AUTHOR]

• Schiff base-type copper(I) complexes were synthesized and characterized. • Triphenylamine group was employed to construct copper(I) complexes with high light absorption abilities. • The photophysical properties of complexes including phenyl, naphthyl and adamantanyl groups were investigated.. • DFT/TDDFT methods were employed to rationalize the photophysical properties. The three Schiff base-type Cu(I) complexes [Cu(POP)(N^N)]PF 6 , N^ N = N ,N-diphenyl-4-(6-((phenylimino)methyl)pyridin-3-yl)aniline (P1), N-((5-(4-(diphenylamino)phenyl)pyridin-2-yl)methylene)naphthalen-2-amine (P2), N-((5-(4-(diphenylamino)phenyl)pyridin-2-yl)methylene)adamantan-1-amine (P3), were prepared and characterized. The photophysical properties of these Cu(I) complexes is tuned by the addition of different substituents such as phenyl, naphthyl and adamantanyl groups into the backbone of Schiff base ligand. The resulting complexes exhibit high absorption ability in the visible region with molar extinction coefficients of up to 3 7400 M−1 cm−1. The emissions in CH 2 Cl 2 solution are in the range of 551–552 nm with lower quantum yields of 1.1–2.0% and short-lived excited lifetimes of 2.78–3.09 ns for all the complexes at room temperature. The photophysical properties were further explained by DFT and TDDFT methods. [Display omitted] [ABSTRACT FROM AUTHOR]

The frequency ratios r10 and r01 of HD 49933 exhibit an increase at high frequencies. This behavior also exists in the ratios of other stars, which is considered to result from the low signal-to-noise ratio and the larger linewidth at the high-frequency end and could not be predicted by stellar models in previous work. Our calculations show that the behavior not only can be reproduced by stellar models, but can be predicted by asymptotic formulas of the ratios. The frequency ratios of the Sun, too, can be reproduced well by the asymptotic formulas. The increased behavior derives from the fact that the gradient of mean molecular weight at the bottom of the radiative region hinders the propagation of p-modes, while the hindrance does not exist in the convective core. This behavior should exist in the ratios of stars with a large convective core. The characteristic of the ratios at high frequencies provides a strict constraint on stellar models and aids in determining the size of the convective core and the extent of overshooting. Observational constraints point to a star with M = 1.28 ± 0.01 M☼, R = 1.458 ± 0.005 R☼, t = 1.83 ± 0.1 Gyr, rcc = 0.16 ± 0.02 R☼, α = 1.85 ± 0.05, and δov =0.6 ± 0.2 for HD 49933. [ABSTRACT FROM AUTHOR]

[Display omitted] • Cu(I) complexes with polyaromatic substituents are synthesized and characterized. • The photophysical properties of the corresponding complexes is studied. • Extended π system has important influence on the light absorption abilities. • DFT/TDDFT methods were employed to understand the photophysical properties. The three Cu(I) complexes [Cu(POP)(N^N)]PF 6 , N^N = 2-(1 H -imidazol-2-yl)-5-(naphthalen-2-ylethynyl)pyridine (P1), 2-(1 H -imidazol-2-yl)-5-(phenanthren-9-ylethynyl)pyridine (P2), 2-(5-(naphthalen-2-ylethynyl)pyridin-2-yl)-1 H -phenanthro[9,10- d ]imidazole (P3), were prepared and characterized. The photophysical properties of these Cu(I) complexes is tuned by extending π- system of the N^N ligand through the addition of polyaromatic groups such as naphthalene and phenanthrene into the pyridine ring part of the diimine ligands via an acetylide linker or phenanthrene-fused imidazole ring. The resulting complexes exhibit higher absorption ability in the visible region. The emissions are in the range of 582–601 nm with quantum yields of 2.30–7.70% and the excited lifetimes of 77.4–115.8 μs for all complexes at room temperature. The photophysical properties were further explained by DFT and TDDFT methods. [ABSTRACT FROM AUTHOR]

[Display omitted] • MFC with a photocatalytic air-cathode was proposed for TCP degradation. • Stable electricity generation of 350 mV was achieved during 130 days of operation. • 50 mg L−1 TCP was completely degraded within 72 h with rate constant of 0.050 h−1. • Synergistic degradation pathways were proposed based on theoretical calculation. • 55.2% of Geobacter and 7.1% of Thauera was dominated on the cathode biofilm. A microbial fuel cell-photocatalysis system with a novel photocatalytic air-cathode (MFC-PhotoCat) was proposed for synergistic degradation of 2,4,6-trichlorophenol (TCP) with simultaneous electricity generation. Stable electricity generation of 350 mV was achieved during 130 days of operation. Besides, 50 mg L−1 TCP was completely degraded within 72 h, and the rate constant of 0.050 h−1 was 1.8-fold higher than MFC with air-cathode without N-TiO 2 photocatalyst. Degradation pathway was proposed based on the intermediates detected and density functional theory (DFT) calculation, with two open-chain intermediates (2-chloro-4-keto-2-hexenedioic acid and hexanoic acid) detected. Furthermore, hierarchical cluster and PCoA revealed significant shifts of microbial community structures, with enriched exoelectrogen (55.2% of Geobacter) and TCP-degrading microbe (7.1% of Thauera) on the cathode biofilm as well as 61.8% of Pseudomonas in the culture solution. This study provides a promising strategy for synergic degradation of recalcitrant contaminants by intimate-coupling of MFC and photocatalysis. [ABSTRACT FROM AUTHOR]

A novel bacteriocin, PE-ZYB1, was produced by Pediococcus pentosaceus zy-B that was isolated from the intestine of Mimachlamys nobilis and collected from the South China Sea. The bacteriocin PE-ZYB1 was purified using acetic ether extraction, Sephadex LH-20 column chromatography, sepharose cation exchange chromatography and reversed-phase high-performance liquid chromatography (RP-HPLC), in succession. Its molecular mass was determined to be MW 2019.22 Da, and its N-terminal amino acid sequence was DLFNKFNRSMQYGNGVE. The PE-ZYB1 was confirmed as a novel bacteriocin through a homology search, using UniProt BLAST (NO. A0A1Y0VLN8). Bacteriocin PE-ZYB1 was found to have extensive spectrum antimicrobial activity against both Gram-positive and Gram-negative bacteria. Bacteriocin PE-ZYB1 showed resistance to heat, was highly stable over pH 2–7 and was sensitive to trypsin. Increased extracellular electrical conductivity was detected for Listeria. monocytogenes treated by bacteriocin PE-ZYB1. Furthermore, bacteriocin PE-ZYB1 bactericidally destroyed the cell membrane integrity of L. monocytogenes, resulting in cell membrane perforation and permeabilization. These results indicate the potential of the bacteriocin PE-ZYB1 for use as a food bio-preservative. • A novel bacteriocin PE-ZYB1 was produced by Pediococcus pentosaceus zy-B. • The molecular mass of the purified bacteriocin PE-ZYB1 was 2019.22 Da. • PE-ZYB1 was confirmed as a novel bacteriocin through a homology search. • Heat resistant and possess broad spectrum antimicrobial activity of PE-ZYB1. • Bacteriocin PE-ZYB1 destroyed the integrity of cell membrane. [ABSTRACT FROM AUTHOR]