NIR analysis for batch process of ethanol precipitation coupled with a new calibration model updating strategy

Ethanol precipitation plays a major role in the pretreatment of Flos Lonicerae Japonicae of Qingkailing injection, and is also one of the most popular purification techniques in Chinese herbal medicines. In order to monitor and have a better understanding of the ethanol precipitation process, a PLS model was built based on NIR spectroscopy and HPLC analysis of chlorogenic acid content within the framework of FDA's PAT initiative. Nevertheless, due to the complex mechanism of and the raw materials’ natural variability introduced into the ethanol precipitation process, it was unable to foresee the variations in new batches which may jeopardize the robustness of the established model. Therefore, based on the simple interval calculation (SIC) theory, a new model expansion updating strategy which could continuously expand the variation coverage of the calibration model along with the batch proceeding of ethanol precipitation process was proposed. Effects of model updating were validated by an individual batch with 60 samples. After two times of updating, the root mean squared error of prediction (RMSEP) decreased from 0.268 mg mL⁻¹ to 0.199 mg mL⁻¹, while the insiders in the object status plot (OSP) increased from 44 to 58, demonstrating the good performance of the proposed approach.     

Design of a Class of New sp2-sp3Carbons Constructed by Graphite and Diamond Building Blocks

The sp²–sp³-hybridized carbon allotropes with the advantage of two hybrid structures possess rich and fascinating electronic and mechanical properties and they have received long-standing attention.We design a class of versatile sp²–sp³carbons composed of graphite and diamond structural units with variable sizes.This class of sp²–sp³carbons is energetically more favorable than graphite under high pressure,and their mechanical and dynamical stabilities are further confirmed at ambient pressure.The calculations of band structure and mechanical properties indicate that this class of sp²–sp³carbons not only exhibits peculiar electronic characteristics adjusted from semiconducting to metallic nature but also presents excellent mechanical characteristics,such as superhigh hardness and high ductility.These sp²–sp³carbons have desirable properties across a broad range of potential applications.     

Oxide‐Supported IrNiOx Core–Shell Particles as Efficient,Cost‐Effective,and Stable Catalysts for Electrochemical Water Splitting

Active and highly stable oxide‐supported IrNiO_x core–shell catalysts for electrochemical water splitting are presented. IrNi_x@IrO_x nanoparticles supported on high‐surface‐area mesoporous antimony‐doped tin oxide (IrNiO_x /Meso‐ATO) were synthesized from bimetallic IrNi_x precursor alloys (PA‐IrNi_x /Meso‐ATO) using electrochemical Ni leaching and concomitant Ir oxidation. Special emphasis was placed on Ni/NiO surface segregation under thermal treatment of the PA‐IrNi_x /Meso‐ATO as well as on the surface chemical state of the particle/oxide support interface. Combining a wide array of characterization methods, we uncovered the detrimental effect of segregated NiO phases on the water splitting activity of core–shell particles. The core–shell IrNiO_x /Meso‐ATO catalyst displayed high water‐splitting activity and unprecedented stability in acidic electrolyte providing substantial progress in the development of PEM electrolyzer anode catalysts with drastically reduced Ir loading and significantly enhanced durability.     

O2在Mo(001)表面吸附的第一原理研究

采用第一原理方法计算了O2分子在 Mo(001) 表面的吸附,得到了吸附构型的各种参数,并且计算了O2分子在 Mo(001) 表面4个位置（顶位,桥位,穴位垂直,穴位平行）吸附后的能量,结果表明在顶位吸附能最高。通过对O2分子在 Mo(001) 表面吸附的原子轨道电荷分布与态密度图的分析可以看出在吸附过程中主要是O原子的2p轨道电子与钼的4s和4d轨道电子的相互作用。     

Effect of negative substrate bias on HWCVD deposited nanocrystalline silicon (nc-Si) films

The influence of the negative substrate bias on the interfacial and microstructural characteristics of nanocrystalline silicon (nc-Si) thin films was deposited by hot wire chemical vapor deposition (HWCVD). Structural characterization of nc-Si films was performed by small angle X-ray diffraction (SAXRD), Raman spectroscopy, X-ray reflectivity (XRR) and field emission scanning electron microscopy (FESEM). Crystalline fraction and crystallite size increases from 61.31 to 74.13% and 13.3 to 21.6 nm, respectively, with an increasing negative bias from 0 to ?200 V. Furthermore, the deposition rate of nc-Si films increases from 25 to 68 nm/min by increase of negative substrate bias from 0 to ?200 V.     

A new nine-membered lactone from a marine fungus Cladosporium sp. F14

A new nine-membered lactone, cladospolide E (1), was isolated from a culture broth of a marine fungus Cladosporium sp. F14. The structure of compound 1 was determined on the basis of extensive spectroscopic analysis, including 1D and 2D NMR data.       

电化学式生物传感器的近期发展动向

电化学式生物传感器是生物传感器的很重要组成部分。新材料用于生物传感器是其新发展的重要研究方向,它包括PVC膜的替代材料,离子交换聚合物膜,有机导电聚合物和氧化还原聚合物等。各学科的相互渗透,使生物传感器出现新颖的设想和概念,包括氧化还原酶的电子导通,超薄组成膜和化学敏感微电化学装置及离子通道传感器与膦酯膜电极。电子鼻和组电极以及生物传感器的微型化都是生物传感器的新发展动向。     

长链正烷基脂肪酸同系物的傅里叶变换红外光谱研究

本文采用Nicolet 170SX型FTIR仪系统地测定了14种长链正烷基脂肪酸的固态红外光谱。实验表明,正烷基脂肪酸同系物在1180—1325cm~(-1)区域内出现的一系列特征谱带是不完全等间隔的,并且它们随着亚甲基数增加而有规律地向低频方向位移。作者推出六个计算脂肪酸谱带位置的经验公式,其计算值与实验值相当吻合,最大偏差为3.5cm~(-1)。同时预算了C_(21)、C_(23)、C_(25)、C_(27)、C_(28)、C_(29)、C_(30)等七种正烷基脂肪酸的谱带位置。此外,作者对1180—1325cm~(-1)区域出现的一系列特征谱带归属进行研讨,认为它们应归属于锯齿型排列的碳链骨架振动。