Rapid qualitative profiling and quantitative analysis of Juglandis Mandshuricae Cortex and seven flavonoids by ultra-high performance liquid chromatography–quadrupole/orbitrap high-resolution mass spectrometry

Juglandis Mandshuricae Cortex is the bark of Juglans mandshurica Maxim., which has been used as a folk medicine plant in China and India. In this study, an ultra-high performance liquid chromatography–quadrupole/orbitrap high-resolution mass spectrometry method was developed to clarify and quantify the chemical profiling of Juglandis Mandshuricae Cortex rapidly. A total of 113 compounds were characterized. Among them, seven flavonoids were simultaneously quantified in 15 min, including myricetin, myricetrin, taxifolin, kaempferol, quercetin, quercitrin, and naringenin. The method was validated for accuracy, precision, and the limits of detection and quantification. All calibration curves showed a good linear relationship (r > 0.9990) within test ranges. The intra- and inter-day relative standard deviations were less than 2.16%. Accuracy validation showed that the recovery was between 95.6 and 101.3% with relative standard deviation values below 2.85%. The validated method was successfully applied to determine the contents of seven flavones in Juglandis Mandshuricae Cortex from seven sources and the contents of these places were calculated respectively. This method provides a theoretical basis for further developing the medicinal value of Juglandis Mandshuricae Cortex.     

氮分子A3Σu+、B3Пg、C3Пu电子态的高温高振转光谱研究

采用态平均（CASSCF）/高度相关多参考组（MRCI）方法，对N2分子A3Σu+、B3Пg、C3Пu电子态的势能、跃迁偶极矩进行了高度相关的精确计算．计算的势能在平衡位置附近与RKR拟合的势能曲线非常一致，获得的跃迁偶极矩与已有实验值符合很好。首次对A3Σu+、B3Пg、C3Пu电子态的振转光谱常数随振动量子数v的变化进行系统定量计算，其结果与已有的实验观测数据相符．同时，获得了N2分子第一正带系的0-1、0-2、1-0、1-2、1-3、2-0、2-1、2-3、3-0、3-1和3-2光谱带分别在300，3000，6000，10000K时的谱线强度，如1-0带在3000，6000，10000K时的高温谱线带强度分别为1.58543×10-16 cm-1/(分子 cm-2)、6.07889×10-17 cm-1/(分子 cm-2)和2.3781×10-17 cm-1/(分子 cm-2)．这些结果对N2分子进一步的理论研究、实际应用和高温大气的建模与研究具都有一定的参考价值．     

Amorphous High-Entropy Hydroxides of Tunable Wide Solar Absorption for Solar Water Evaporation

The high-entropy materials have raised much attention in recent years due to their extraordinary performances in mechanical, catalysis, energy storage fields. Herein, a new type of high-entropy hydroxides (e.g., NiFeCoMnAl(OH)_x) that are amorphous and capable of broad solar absorption is reported. A facile one-pot co-precipitation method is employed to synthesize these amorphous high-entropy hydroxides (a-HEHOs) under ambient conditions. The a-HEHOs thus obtained display widely tunable bandgap (e.g., from 2.6 to 1.1 eV) due to their high-entropy and amorphous characteristics, enabling efficient light absorbance and photothermal conversion in the solar regime. Further solar water evaporation measurements show that the a-HEHOs delivered a considerable energy conversion efficiency of 55%, comparable to black titanium oxides that are synthesized using more complex and expensive methods.     

A visible light responsive molecularly imprinted photoelectrochemical sensor for the sensitive detection of BSA

Journal of Solid State Electrochemistry - A molecularly imprinted photoelectrochemical (PEC) cathodic sensor was developed for the detection of bovine serum albumin (BSA). The PEC sensor was...     

Uncertain random data envelopment analysis for technical efficiency

Fuzzy Optimization and Decision Making - Data envelopment analysis (DEA) is a classical and prevailing tool for estimating relative efficiencies of multiple decision making units (DMUs). However,...     

A boundary expansion of solutions to nonlinear singular elliptic equations

In this paper we establish an asymptotic expansion near the boundary for solutions to the Dirichlet problem of elliptic equations with singularities near the boundary.This expansion formula shows the singularity profile of solutions at the boundary.We deal with both linear and nonlinear elliptic equations,including fully nonlinear elliptic equations and equations of Monge-Ampère type.     

An organoantimony nitrate complex with azastibocine framework as water tolerant Lewis acid catalyst for the synthesis of 1,2-disubstitued benzimidazoles

A novel organoantimony complex of 6-cyclohexyl-6,7-dihydrodibenzo[c,f] [1,5]azastibocin-12(5H)-yl nitrate ( 2 ) was synthesized and systematically characterized by techniques such as NMR spectra, TG-DSC, and X-ray diffraction. It was found that the complex 2 exhibits relatively strong Lewis acidity (3.3 < Ho ≤ 4.8) and could be employed as a water tolerant Lewis acid catalyst for the synthesis of synthetically valuable benzimidazole derivatives starting from aldehydes and arylenediamines. This catalytic system shows excellent tolerance toward a wide variety of functional groups, such as methyl, methoxyl, fluoro, chloro, bromo, nitro, cyan, trifluoromethyl, 1-naphthaldehyde, furfural and n-butyl, together with facile reusability in 5 times scale enlarged synthesis.     

UPLC–ESI–Q-TOF–MS/MS analysis of anticancer fractions from Ophiocordyceps xuefengensis and Ophiocordyceps sinensis

Ophiocordyceps xuefengensis (O. xuefengensis), a new species of caterpillar fungus, has been identified as the sister taxon of Ophiocordyceps sinensis (O. sinensis). The aims of the present study are to evaluate the anticancer activity and to qualitatively analyze the potential bioactive chemical constituents of O. xuefengensis and O. sinensis, comparatively. An MTT assay was used to evaluate the in vitro anticancer activities of different fractions from O. xuefengensis and O. sinensis. The results show that ethyl acetate fractions of O. xuefengensis and O. sinensis have significant in vitro anticancer activity. These two bioactive fractions were analyzed by ultra-performance liquid chromatography–electrospray ionization with quadrupole–time of flight tandem mass spectrometry technology. A total of 82 compounds and 101 compounds were identified or tentatively characterized in the bioactive fractions of O. xuefengensis and O. sinensis, respectively. Among these compounds, 68 existed in both O. xuefengensis and O. sinensis. A total of 67 compounds were reported in O. xuefengensis and 8 compounds were reported in caterpillar fungus for the first time. This is the first detailed comparative analysis of the in vitro anticancer activity and chemical ingredients between O. xuefengensis and O. sinensis. The application of this work will provide reliable fundamental pharmacological substances for the use of O. xuefengensis by Yao people.     

Development of Lysosome-Targeted Fluorescent Probes for Cys by Regulating the Boron-dipyrromethene (BODIPY) Molecular Structure

Our previous discovery suggested that substituents on the 1,7 positions delicately modulate the sensing ability of the meso-arylmercapto boron-dipyrromethene (BODIPY) to biothiols. In this work, the impact of delicate modulations on the sensing ability is investigated. Therefore, 1,7-dimethyl, 3,5-diaryl substituted BODIPY is designed and developed and its conformationally restricted species with a meso-arylmercapto moiety ( DM-BDP-SAr and DM-BDP-R-SAr ) as selective fluorescent probes for Cys. Moreover, the lysosome-target probes ( Lyso-S and Lyso-D ) based on DM-BDP-SAr carrying one or two morpholinoethoxy moieties were developed. They were able to detect Cys selectively in vitro with low detection limits. Both Lyso-S and Lyso-D localized nicely in lysosomes in living HeLa cells and exhibited red fluorescence for Cys. Moreover, a novel fluorescence quenching mechanism was proposed from the calculations by density functional theory (DFT). The probes may go through intersystem crossing (from singlet excited state to triplet excited state) to result in fluorescence quenching.     

An experimental study on the fire characteristics of new and aged building wires using a cone calorimeter

Journal of Thermal Analysis and Calorimetry - The fire behavior of one flame-retardant PVC cable used as building wire is investigated in this work. Bench scale tests were performed using a cone...