Competitive Formation Mechanism for Bidentate Passivation of Halogen Vacancies in Perovskite Based on 6-Chloropurine.

For metal halide perovskite solar cells, bidentate passivation (BP) is highly effective, but currently, only passivation sites rather than molecular environments are being considered. Here, the authors report an effective approach for high-performance fully printable mesoscopic perovskite solar cells (FP-PSCs) through the BP strategy using the multidentate molecule 6-chloropurine (6-CP). By utilizing density functional theory (DFT) calculations, X-ray photoelectron spectroscopy (XPS), and Fourier transform infrared spectroscopy (FTIR) characterizations, the competition mechanism is identified of BP between the chlorine atom and neighboring nitrogen atom of the imidazole and pyrimidine rings. Through BP between the chlorine atom and adjacent nitrogen atom in imidazole, the power conversion efficiency (PCE) of the pristine samples is significantly enhanced from 16.25% to 17.63% with 6-CP. The formation of BP enhances interfacial hole selectivity and charge transfer, and suppresses nonradiative recombination, improving device stability under high humidity conditions. The competition mechanism of BP between two aromatic cycles provides a path for designing molecular passivants and selecting passivation pathways to approach theoretical limits.

Clinical Prediction Score for Successful Retrograde Procedure in Chronic Total Occlusion Percutaneous Coronary Intervention.

OBJECTIVE: To develop and validate a prediction score for a successful retrograde procedure in chronic total occlusion (CTO) percutaneous coronary intervention (PCI). METHODS: A total of 228 CTO lesions in 223 patients who underwent PCI by retrograde approach were analyzed. All subjects were randomly grouped to a derivation set and a validation set at a ratio of 2:1. A successful retrograde procedure was set as the end point. Each of the identified predictors for the end point by logistic regression was assigned 1 point and summed. RESULTS: Independent predictors of a successful retrograde procedure were Werner's score [odds ratio (OR) 4.841, 95% confidence interval (CI) 1.952-12.005, p = 0.001], diameter of distal CTO segment (OR 5.263, 95% CI 2.067-13.398, p < 0.001) and tortuous collateral (type b; OR 0.119, 95% CI 0.032-0.444, p = 0.002). The predictive model developed in the derivation set stratified the difficulty of achieving a successful retrograde procedure into 4 grades - very difficult (10.5%), difficult (23.7%), intermediate (50.7%) and easy (15.1%) - and was demonstrated significantly in the validation set: very difficult (15.8%), difficult (18.4%), intermediate (47.4%) and easy (18.4%). The area under the receiver-operating characteristic curve was 0.832 ± 0.042 for the derivation set and 0.912 ± 0.041 for the validation set with an almost equal performance. CONCLUSIONS: According to the experience of our center, this model performed excellently in predicting the difficulty in achieving a successful retrograde procedure.

Activatable BODIPY-chromene NIR-II probes with small spectral crosstalk enable high-contrast in vivo bioimaging.

Herein, we design a novel "crossbreeding" dye (BC-OH) within the second near-infrared (NIR-II) window based on BODIPY and chromene chromophores. BC-OH can serve as a platform to construct activatable NIR-II probes with small spectral crosstalk, thereby making a breakthrough in imaging in vivo H2O2 fluctuation in an APAP-induced liver injury model with high signal-to-background ratio.

Effects of coal chemical industry on atmospheric volatile organic compounds emission and ozone formation in a northwestern Chinese city.

Coal is well known as the primary energy consumption in China, and the coal chemical industry (CCI) can serve as an important source of volatile organic compounds (VOCs) emissions. However, the characteristics of VOCs emitted from CCI along with their environmental consequences are still poorly understood. To pin down this, an intensive field campaign was carried out at a typical CCI city in northwestern China (Yulin) from February 26 to March 7, 2021. Results showed that VOC compositions in Yulin were distinct from those in the megacities of China as well as in the typical oilfields over the world. The concentration of naphthalene (1.6 ± 1.1 ppbv), an important byproduct of CCI, was significantly higher than that in other cities (<0.2 ppbv). Positive matrix factorization (PMF) model analysis revealed that the direct contribution of the CCI source for VOC emissions is 8.8 ± 1.8%. More importantly, these VOCs emitted from the CCI can account for 17.9 ± 6.8% of ozone (O3) formation potential and 16.9 ± 7.4% of OH reactivity of VOCs, suggesting the significant impacts of the CCI on the air quality and atmospheric oxidizing capacity. During the observation, a rapid increase in O3 concentration after a snowfall was encountered. The changing rate of O3 concentration in the daytime was significantly higher than in its peripheral cities. The increased O3 formation was partially attributed to the CCI, and this enhancement can be further magnified by snow cover due to the increment of surface albedo. These findings deepen the understanding of the characteristics and air quality impact of VOCs related to the CCI and provide valuable insights for the development of air quality control measures in the region influenced by intensive coal chemical production.

[Change traits of phosphorous consumption structure in China and their effects on environmental phosphorous loads].

Substance flow analysis was used to construct a model to analyze change traits of China's phosphorous (P) consumption structure from 1980 to 2008 and their influences on environmental phosphorous loads, then the correlation between several socioeconomic factors and phosphorous consumption pollution was investigated. It is found that phosphorous nutrient inputs of urban life and rural life on a per capita level climbed to 1.20 kg x a(-1) and 0.99 kg x a(-1) from 0.83 kg x a(-1) and 0.75 kg x a(-1) respectively, but phosphorous recycling ratios of urban life fell to 15.6% from 62.6%. P inputs of animal husbandry and planting also kept increasing, but the recycling ratio of the former decreased from 67.5% to 40.5%, meanwhile much P input of the latter was left in agricultural soil. Correlation coefficients were all above 0.90, indicating that population, urbanization level, development levels of planting and animal husbandry were important incentives for P consumption pollution in China. Environmental Kuznets curve showed that China still stayed in the early development stage, promoting economic growth at an expense of environmental quality. This study demonstrates that China's P consumption system is being transformed into a linear and open structure, and that P nutrient loss and environmental P loads increase continually.