Factors controlling the drop evaporation constant

In this paper, we discuss the factors affecting drop evaporation. We found that the droplet morphology at a specific temperature was controlled by the physical properties of the liquid itself, such as the molecular weight, density, diffusion coefficient in air, and heat of vaporization. Two processes are included in drop evaporation: diffusion of liquid molecules into the air (diffusion part) and flow of the liquid molecules from inside the drop to the free outer shell liquid layer within the liquid-vapor interface (evaporation part). The diffusion part remained steady during drying and was not sensitive to the variation of temperature. The evaporation part, however, was an active factor and determined the differences in drop evaporation behaviors.     

尖晶石型FeMnCuO4的光谱分析及量子化学研究

通过量子化学的密度泛函理论,采用模型化学方法和Gatmion03程序,计算了尖晶石型FeMnCu,4不同模型,分析了它们前线轨道附近的能级分布、轨道组成和可能的跃迁,结合可见紫外光谱、红外光谱的结果,确定了FeMnCuO4中紫外区的主要跃迁是d→p跃迁;可见和近红外区主要是d→d跃迁,振动光谱中高频段主要是铁氧八面体中Fe-O键的振动.     

计算最小奇异组的一个精化调和Lanczos双对角化方法

在很多实际应用中需要计算大规模矩阵的若干个最小奇异组.调和投影方法是计算内部特征对的常用方法,其原理可用于求解大规模奇异值分解问题.本文证明了,当投影空间足够好时,该方法得到的近似奇异值收敛,但近似奇异向量可能收敛很慢甚至不收敛.根据第二作者近年来提出的精化投影方法的原理,本文提出一种精化的调和Lanczos双对角化方法,证明了它的收敛性.然后将该方法与Sorensen提出的隐式重新启动技术相结合,开发出隐式重新启动的调和Lanczos双对角化算法(IRHLB)和隐式重新启动的精化调和Lanczos双对角化算法(IRRHLB).位移的合理选取是算法成功的关键之一,本文对精化算法提出了一种新的位移策略,称之为"精化调和位移".理论分析表明,精化调和位移比IRHLB中所用的调和位移要好,且可以廉价可靠地计算出来.数值实验表明,IRRHLB比IRHLB要显著优越,而且比目前常用的隐式重新启动的Lanczos双对角化方法(IRLB)和精化算法IRRLB更有效.     

酞菁铁中N4-Fe2+的氧化还原化学和氧还原性能

准确理解金属大环配合物(如N4-Fe2+)体系的氧化还原化学性能,对氧还原反应(ORR)电催化剂的基础研究和合理设计具有重要意义.本文采用微波法将三种不同酞菁铁类金属大环配合物吸附在碳纳米管上,分别记为(NH2)4FePc@CNTs,(t-Bu)4FePc@CNTs和FePc@CNTs,考察了取代基对Fe3+/Fe2+...     

Extraction of Uranium in Nitric Media with Novel Asymmetric Tetra-Alkylcarbamide

The use of tetra-alkylcarbamides as novel ligands: N,N-butyl-N’,N’-hexylurea (L1: ABHU), and N,N-butyl-N’,N’-pentylurea (L2: ABPU), for the solvent extraction and complexation behaviors of uranium(VI) was synthesized and investigated in this study. The effects of HNO₃ and NO₃⁻ concentrations in the aqueous phase on the distribution ratio of U(VI) were examined. Under 5 mol/L HNO₃ concentration, D_U reached 5.02 and 4.94 respectively without third-phase formation. During the extraction, slope measurements and IR spectral analysis revealed that the U(VI) complexes are a form of UO₂(NO₃)₂·2L for both ligands. In addition, thermodynamic studies showed that the uranium extraction reaction was a spontaneous exothermic reaction. The deep structural analysis of the complexes was realized with DFT calculation. The bond length, bond properties, and topology of the complexes were discussed in detail to analyze the extraction behavior. This study enriches the coordination chemistry of U(VI) by tetra-alkylcarbamides, which may offer new clues for the design and synthesis of novel ligands for the separation, enrichment, and recovery of uranium in the nuclear fuel cycle.     

Enhanced Degradation of Antibiotic by Peroxydisulfate Catalysis with CuO@CNT: Simultaneous 1O2 Oxidation and Electron-Transfer Regime

The nonradical process in the peroxydisulfate (PDS) oxidation system is a promising method for antibiotic removal in water. In this study, CuO@CNT was successfully synthesized by a facile approach to catalyze PDS. The removal efficiency of the antibiotic sulfamethoxazole (SMX) was 90.6% in 50 min, and the stoichiometric efficiency (ΔSMX/ΔPDS) was 0.402. The very different degradation efficiency of common organic contaminants revealed the selective oxidation of the surveyed system. The process of ¹O₂ oxidation and the electron-transfer regime was exhibited by chemical quenching tests, electron paramagnetic resonance (EPR) determination, a UV–vis spectrophotometer, X-ray photoelectron spectroscopy (XPS) detection, and cyclic voltammetry (CV) measurements. Sustainable catalysis was promoted by the circulation between the surface electron-rich centers of Cu(II) and Cu(III). Dissolved oxygen (DO) and a metastable Cu(III) intermediate contributed to the generation of ¹O₂. Still, a portion of SMX was removed by the mildly activated PDS. Moreover, the influence factors (pH, dosage, water matrix) were examined, and suppressions were acceptable by common anions and real water. Distinguished from the radical process, unique intermediate products were ascertained via the theoretical calculation and liquid chromatography–mass spectrometry (LC-MS) detection. Furthermore, CuO@CNT showed a satisfactory activation ability in the cycling experiments. Overall, this study developed CNT to be a supporter of CuO, unveiled the mechanism of catalysis, and evaluated the application potential of the nonradical process.     

Rust Conversion of Proanthocyanidins to Archaeological Steel: A Case Study of Lingzhao Xuan in the Forbidden City

This work was focused on the rust conversion of proanthocyanidins (PC) for goethite (α-FeOOH), akaganeite (β-FeOOH) and lepidocrocite (γ-FeOOH), trying to show the potential of PC as an eco-friendly corrosion inhibitor and rust converter for archaeological steel conservation. The experiment used a rusted steel screw from Lingzhao Xuan of the Forbidden City in the Qing Dynasty and three kinds of pure iron oxyhydroxides as research samples. By means of micro-Raman, FTIR, XRD, XPS, SEM and EIS, PC had the ability to chemically react with iron oxyhydroxides in the rust, forming amorphous PC-FeOOH with a marked signal about 1384 cm⁻¹ as phenolic-Fe in infrared properties. The original relatively stable iron oxides were not induced to phase transformation and still remained. The converted rust layer could be more stable in the corrosive medium and increased the corrosion potential more effectively. Both the rust layer resistance and the charge transfer resistance of the archaeological samples were improved by at least 3 times with 5.0 g/L of PC, which could reasonably stabilize the archaeological rust and hindered external corrosive penetration into the core. It was a mild protection material that showed satisfactory performance for archaeological steel cultural heritage and has a good application prospect.     

Analysis of Components and Properties of Extractives from Alnus cremastogyne Pods from Different Provenances

Chemical components with anti-oxidant, anti-inflammatory, and anti-cancer properties extracted from Alnus bark and leaves have been extensively studied. However, less attention has been paid to extractives from Alnus pods, which are mostly treated as waste. Here, extractives of Alnus cremastogyne pods from 12 provenances in Sichuan Province were studied for high value-added utilization of Alnus waste. The extractives were analyzed by Gas Chromatography-Mass Spectrometer (GC-MS), Ultraviolet-visible spectroscopy (UV-Vis spectra), and 1,1-diphenyl-2-picrylhydrazyl (DPPH) scavenging activity. A total of 58, 49, and 51 chemical components were found when the organic solvents of ethanol, petroleum ether, and ethyl acetate were used to collect extractives, respectively. These chemical components including Phytol, CIS-5,8,11,14,17-eicosapentaenoic acid, Germacrene D, Lupeol, and β-sitosterol, etc., have wide applications in the fields of pharmacy and cosmetics. Moreover, it was also found that extractives in ethanol and ethyl acetate had impressive UV resistance, especially for UV-C and UV-B blocking. The results showed that the maximum block ratio towards UV-C and UV-B could reach 99%. In addition, the ethanol extract showed good anti-oxidant activity with a maximum free radical scavenging rate of 96.19%. This comprehensive and systematic study on extractives from Alnus cremastogyne pods promotes the development of high-value utilization of Alnus components.     

Alkaloid Derivative (Z)-3β-Ethylamino-Pregn-17(20)-en Inhibits Triple-Negative Breast Cancer Metastasis and Angiogenesis by Targeting HSP90α

Metastasis is an important cause of cancer-related death. Previous studies in our laboratory found that pregnane alkaloids from Pachysandra terminalis had antimetastatic activity against breast cancer cells. In the current study, we demonstrated that treatment with one of the alkaloid derivatives, (Z)-3β-ethylamino-pregn-17(20)-en (1), led to the downregulation of the HIF-1α/VEGF/VEGFR2 pathway, suppressed the phosphorylation of downstream molecules Akt, mTOR, FAK, and inhibited breast cancer metastasis and angiogenesis both in vitro and in vivo. Furthermore, the antimetastasis and antiangiogenesis effects of 1 treatment (40 mg/kg) were more effective than that of Sorafenib (50 mg/kg). Surface plasmon resonance (SPR) analysis was performed and the result suggested that HSP90α was a direct target of 1. Taken together, our results suggested that compound 1 might represent a candidate antitumor agent for metastatic breast cancer.