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In the present work, the lowest energy structures and electronic properties of Agn clusters up to n = 16 are investigated using a successive growth algorithm coupled with density functional theory calculations (DFT). In the literature, a number of putative global minimum structures for silver clusters have been reported by using different approaches, but a comparative study for n = 15-16 has not been undertaken so far. Here, we perform a comparative study using the PW91/cc-pVDZ-PP level to more precisely determine the optimal configuration. For Ag15, the most stable configuration is a four layered 1-4-6-4 stacking structure with C2v symmetry. For Ag16 a new most stable form is found with a 1-4-2-5-1-3 stacking structure in the singlet state, slightly more stable than the putative global minimum reported. By means of the electrostatic potential, the new putative global minimum has been found to be more reactive, and the active sites of the clusters were identified and confirmed with the interaction energy. The electronic and vibrational properties are found to be in good agreement with the available experimental data. Theoretical data on the infrared spectra of the clusters is also provided.We found a novel blue cyanine dye that exhibits negative photochromism. Upon photoexcitation of the dye solution, the blue colour visibly disappeared, and after several hours the absorbance of the solution recovered completely, indicating that the dye has high stability.A new rubidium fluorooxoborate, RbB3O4F2, was structurally designed and synthesized by using the strategy of fluorine-introduction into borates. Interestingly, RbB3O4F2 presents the novel [B3O4F2]- chains formed by the unprecedented [B3O5F2]3- fundamental building block. More importantly, RbB3O4F2 has a large birefringence and a deep-UV cutoff edge. The finding of novel [B3O5F2]3- FBB and [B3O4F2]- chains in RbB3O4F2 greatly enriches the structural diversity of fluorooxoborates.A series of ZnO-based complex architectures including Mn-doped ZnO, Ag/ZnO and Ag-decorated MnZnO nanocomposites were fabricated by a facile polymer network gel method. The photocatalytic performance of the as-synthesized products was evaluated by the degradation of methylene blue (MB), methyl orange (MO) and rhodamine B (RhB) under simulated sunlight irradiation. The MnZnO/Ag photocatalyst achieves the superior photodegradation efficiency, which is three times higher than that of pure ZnO and two times that of the Ag/ZnO composite. Our results demonstrate that the significantly enhanced photocatalytic properties of MnZnO/Ag are due to the synergetic effects of both Mn doping and Ag decoration. selleck inhibitor The possible photocatalytic mechanism of MnZnO/Ag for degradation of organic dyes is proposed. The transformation from Mn3+ to Mn2+, the increase of surface defects, and the improvement of the crystal quality are the crucial factors for the enhancement of the photocatalytic properties. This study provides an effective approach to overcome the response limitation of ZnO-based photocatalysts in the visible region and realize efficient photogenerated carrier separation.The reaction of cyclic organobismuth compounds, 12-phenyl- and 12-chloro-5,6,7,12-tetrahydrodibenz[c,f][1,5]azabismocines, with Pt(PEt3)3 was examined. Oxidative addition of the exocyclic Bi-C bond to Pt(0) selectively took place in the reaction of the 12-phenyl derivative. Oxidative addition of the exocyclic Bi-Cl bond reversibly took place and was kinetically preferred, while endocyclic Bi-C bond oxidative addition products were thermodynamically favored and became the final products in the reaction of 12-chloro derivatives. These results demonstrate the oxidative addition of a Bi-C bond to a transition metal complex for the first time.The integration of a solid electrolyte with electrodes without interfacial degradation is an integral part of enabling high-performance all-solid-state batteries. Here we highlight that additive-assisted solid-state reactions using high-energy ball-milling and multistep heating can be an effective approach to lower the processing temperatures of cubic Li7La3Zr2O12 garnet. The obtained total Li conductivity is 1.4 × 10-4 S cm-1, comparable with that obtained using high-temperature processing. We found that liquid-phase sintering triggered by a lithium borate additive increases the microstrain of Li7La3Zr2O12, increasing Li conductivity. Our work demonstrates the feasibility to engineer conventional ceramics processing to sustainably produce all-solid-state batteries with a low thermal budget in practice.Alkaline phosphatase (ALP) is an essential hydrolase and widely distributed in living organisms. It plays important roles in various physiological and pathological processes. Herein, a turn-on near-infrared (NIR) fluorescent probe (DXMP) was developed for sensitive detection of ALP activity both in vitro and in vivo based on the intramolecular charge transfer (ICT) mechanism. Upon incubation with ALP, DXMP exhibited a strong fluorescence increment at 640 nm, which was attributed to the fact that ALP-catalyzed cleavage of the phosphate group in DXMP induced the transformation of DXMP into DXM-OH. The probe exhibited prominent features including outstanding selectivity, high sensitivity, and excellent biocompatibility. More importantly, it has been successfully used to detect and image endogenous ALP in living cells and zebrafish.Herein, we report the first protocol for visible-light-induced radical isocyanide insertion reactions between 3-(2-isocyanobenzyl)-indoles and bromodifluoroacetates or bromodifluoroacetamides. The protocol, which has good functional group tolerance and a broad substrate scope, constitutes an efficient and general route to difluoromethylated spiro[indole-3,3′-quinoline] derivatives.

Inflammation influences cancer progression by increasing catabolism and impairing nutrient absorption. We compared the prognostic ability of three inflammation-based prognostic scoring systems-the Glasgow prognostic score (GPS), modified GPS (mGPS), and high-sensitivity mGPS (HS-mGPS)-in gastric cancer patients.

We retrospectively examined 434 curatively resected gastric cancer patients to evaluate the prognostic ability of scoring systems for overall survival (OS) and cancer-specific survival (CSS).

OS analysis identified the following independent prognostic factors GPS model pathological stage (pStage,

< 0.001), carcinoembryonic antigen (CEA,

= 0.004), and GPS 1 (hazard ratio [HR], 1.929; 95% confidence interval [CI], 1.152-3.228;

= 0.013); mGPS model body mass index (BMI,

= 0.027), pStage (

< 0.001), and CEA (

< 0.001); HS-mGPS model BMI (

= 0.029), pStage (

< 0.001), and CEA (

= 0.003). mGPS and HS-mGPS were not independent prognostic factors for OS. CSS analysis of the GPS model identified pStage (

< 0.