Prediction of allergic reaction risk of Shenmai injection based on real-world evidence coupled with UPLC–Q-TOF-MS

The allergic reaction (AR) of Chinese herbal injection (CHI) has become one of the most noticeable focuses of public health in China. However, it still remains a considerable controversy as to whether low-molecular-weight components in CHI have potential sensitization. In this study, the relationship between AR and low-molecular-weight component profile of Shenmai injection was explored by an interdisciplinary technology integrating real-world evidence and ultra-performance liquid chromatography–quadrupole time-of-flight mass spectroscopy (UPLC–Q-TOF-MS). The AR information of hospitalized patients was obtained by comprehensively analyzing real-world evidence from January 2015 to June 2019 at two Chinese hospitals. The UPLC–Q-TOF-MS was exploited to systematically investigate the low-molecular-weight component profile with 50–1500 m/z mass range, and 3725 MS1 peaks were detected. The optimized partial least squares discriminant analysis model was established to map the influence of low-molecular-weight components on AR. The results of this study showed that high levels of organic acids administered intravenously might be a potential risk factor for inducing AR. By using this method, Shenmai injection with high AR risk could be recognized precisely with 100% accuracy before clinical use.     

基于无机纳米材料的抗菌抗病毒功能涂层和薄膜

COVID-19在全球的大流行对人类的健康生活和社会的正常运行都造成了严重的危害. 阻断致病微生物通过受污染表面与人类间接接触传播, 或者避免与其直接接触是保护我们免受伤害的主要方法. 目前的解决措施包括设计开发抗菌抗病毒表面涂层和研发由自清洁薄膜或织物制成的个人防护设备. 综述了近年来几种研究广泛的金属、金属氧化物、金属有机框架材料等用于抗菌抗病毒涂层或薄膜的工作, 对其作用机制和微生物灭活效果进行了总结讨论, 并且评估了其本身的毒性以及实际应用的局限性, 最后就抗菌抗病毒涂层和薄膜开发的挑战和新兴研究方向提出了未来展望.     

Auto-deposition of 210Bi and 210Po on nickel discs and their application in the analysis of natural waters

Journal of Radioanalytical and Nuclear Chemistry - This study presents a time-efficient method of analysing 210Pb, 210Bi, and 210Po in natural waters. The optimum pH (1.00), temperature...     

One-step hydrolysis for the preparation of carboxylated cellulose nanofibrils with highly stable dispersibility from pomelo peel

Cellulose - One-step acid hydrolysis was successfully employed to prepare carboxylated cellulose nanofibrils (CCNFs) from pomelo peel waste with the mixture of hydrochloric acid and citric acid...     

MgO和Fe2O3的添加对GDCSi体系微观结构及电化学性能的影响

采用溶胶凝胶法制备Gd_0.2Ce_0.8O_3-δ +0.05%（质量分数）SiO₂（GDCSi）电解质。在GDCSi体系中加入Fe₂O₃及MgO可达到降低烧结温度的同时提高晶界电导率，并减小杂质SiO₂对氧离子在晶界处传输的阻碍的目的。将MgO和Fe₂O₃单掺杂或双掺杂在GDCSi体系中并对GDCSi基电解质的微观形貌及电性能进行研究。结果表明，所有样品主要由立方萤石结构相组成；物质的量分数4%MgO单掺杂的GDCSi-M、物质的量分数4%Fe₂O₃单掺杂的GDCSi-F以及物质的量分数2%MgO-物质的量分数2%Fe₂O₃共掺杂的GDCSi-MF均可促进GDCSi体系晶粒增长，降低晶粒间孔隙率，提高电解质的相对密度，降低晶粒电阻R_gi、晶界电阻R_gb及总电阻R_t；GDCSi-MF具有最高晶界电导率和总电导率，在400 ℃时GDCSi-MF的晶界电导率σ_gb和总电导率σ_t分别是GDCSi的10.41和1.82倍。     

Assembly of ϵ-Keggin Polyoxometalate from Molecular Crystal to Zeolitic Octahedral Metal Oxide

Zeolitic octahedral metal oxides are inorganic crystalline microporous materials with adsorption and redox properties. New ϵ-Keggin nickel molybdate–based zeolitic octahedral metal oxides have been synthesized. ³¹P NMR spectroscopy shows that reduction of Mo^VI-based molybdates forms an ϵ-Keggin polyoxometalate that immediately transfers to the solid phase. Investigation of the formation process indicates that a low Ni concentration, insoluble reducing agent, and long synthesis time are the critical factors for obtaining the zeolite octahedral metal oxides rather than the ϵ-Keggin polyoxometalate molecule. The synthesized zeolitic nickel molybdate with Na⁺ is used as the adsorbent, which effectively separates C₂ hydrocarbon mixtures.     

Establishment and validation of an SIL-IS LC–MS/MS method for the determination of ibuprofen in human plasma and its pharmacokinetic study

In this work, we developed and validated a highly sensitive, rapid and stable LC–MS/MS method for the determination of ibuprofen in human plasma with ibuprofen-d3 as a stable isotopically labeled internal standard (SIL-IS). Human plasma samples were prepared by one-step protein precipitation. The chromatographic separation was achieved on a Poroshell 120 EC-C₁₈ (2.1 × 50 mm, 2.7 μm). Aqueous solution (containing 0.05% acetic acid and 5 mm NH₄Ac) and methanol were selected as the mobile phase with gradient elution. An electrospray ionization source was applied and operated in negative ion mode. Multiple reaction monitoring mode was used for quantification using target fragment ions m/z 205.0 → 161.1 for ibuprofen and m/z 208.0 → 164.0 for SIL-IS, respectively. This method exhibited a linear range of 0.05–36 μg/ml for ibuprofen with correlation coefficient >0.99. Mean recoveries of ibuprofen in human plasma ranged from 78.4 to 80.9%. The RSD of intra- and inter-day precision were both < 5%. The accuracy was between 88.2 and 103.67%. The matrix effect was negligible in human plasma, including lipidemia and hemolytic plasma. A simple, efficient and accurate LC–MS/MS method was successfully established and applied to a pharmacokinetic study in healthy Chinese volunteers after a single oral administration of ibuprofen granules.     

AgAlSe2晶体高压相变的第一性原理研究

基于密度泛函理论,采用广义梯度近似法,研究了黄铜矿结构AgAlSe₂在高压下的晶体结构、晶格动力学稳定性与电子结构.结果显示:在0 GPa时AgAlSe₂的晶格参数与实验值吻合,在13.9 GPa附近,质量密度、Se-Ag键长、Se-Al键长、晶格常数a突然增大,相对晶胞体积V/V₀、晶格常数c突然减小,声子谱出现虚频,结构变得不稳定,带隙发生突变,数值呈减小趋势.表明AgAlSe₂晶体在13.9 GPa附近发生结构相变.该研究为AgAlSe₂晶体在理论上所能承受的高压提供信息支撑.     

SiO2@Gd2O3∶Tb3+核壳微球的可控合成及发光性能研究

采用简便的尿素辅助沉淀法将Gd2O3∶Tb3+成功包覆在二氧化硅微球表面合成了尺寸均匀的球形SiO2@Gd2O3∶Tb3核壳发光材料,解决了稀土发光材料普遍存在的形貌可控性差和颗粒尺寸不均一等问题.利用XRD、SEM、红外光谱和荧光光谱等表征测试了样品的形貌、结构和发光性能.SEM照片和尺寸分布图显示,SiO2@Gd2O3∶Tb3+粒子呈现均匀球形形貌,分散性良好,粒径约(608 +18) nm.XRD图谱分析表明,600℃煅烧后,壳层Gd(OH)3CO3完全转变为立方相Gd2O3,结晶性良好,无杂相生成.同时,结合红外光谱推测了SiO2@Gd2O3∶Tb3核壳微球的形成机理,并得出Gd2O3∶Tb3+壳层主要以Si-O-Gd键形式连接在二氧化硅微球表面.在240 nm紫外光激发下,SiO2@Gd2O3∶Tb3核壳微球呈现绿光发射,其中,位于540 nm处的主峰归属于Tb3+的5D4→7F5能级跃迁.不同Tb3掺杂浓度下的发射光谱表明,当Tb3+掺杂浓度为4mol;时,SiO2@Gd2O3∶Tb3+核壳微球的发射强度达到最大值,寿命为1.55 ms,色坐标位于绿色区域,展现了良好的绿光发光性能.