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Chemometric assessment of electronic cigarettes based on the ICP-MS determination of multiple heavy metal concentrations 基于 ICP-MS 测定多种重金属浓度的电子香烟化学计量学评估
IF 1.2 4区 化学 Q3 Chemistry Pub Date : 2024-05-01 DOI: 10.1016/j.cjac.2024.100396
Chunqiong WANG , Wei LI , Dan CHEN , Jieyun CAI , Ke ZHANG , Jia WEI , Haowei SUN , Jianlong GU , Xiaowei ZHANG , Ganpeng LI , Kai LIU

To elucidate the concentrations of heavy metal elements in commercially available electronic cigarettes and improve quality assessment. Inductively coupled plasma-mass spectrometry (ICP-MS) coupled to chemometrics was used to determine the concentrations of Cr, Ni, As, Cd, Sn, Sb, Hg, and Pb in the e-liquids and aerosols derived from 32 electronic cigarettes sold commercially under six brand names. The e-liquids contained: 4.858 to 274.658 (Cr), 17.292 to 3068.375 (Ni), 3.217 to 29.867 (As), 0.225 to 24.717 (Cd), 0.783 to 17.042 (Sn), 0.658 to 36.033 (Sb), 0.658 to 187.592 (Hg), and 2.458 to 17.417 (Pb) ng g−1. The aerosol samples contained: 276.075 to 3333.175 (Cr), 72.908 to 1150.183 (Ni), 4.567 to 86.958 (As), 0.400 to 12.842 (Cd), 1.092 to 32.142 (Sn), 0.976 to 10.633 (Sb), 3.483 to 234.708 (Hg), 27.833 to 849.100 (Pb) ng 100 puffs−1. The recovery of heavy metals ranged from 99.1% to 112.4% in the e-liquids and from 87.3% to 116.6% in the aerosols, with RSD values below 10%. Hierarchical cluster analysis grouped the e-liquids into eight clusters, and the aerosols into five, indicating differences between products within brands and between different brands. Orthogonal partial least squares discriminant analysis coupled with variable importance in projection (VIP > 1) identified As and Sb as the primary heavy metals causing differences between the e-liquids, while differences between the aerosols were caused by Hg, As, Pb, Cd, and Cr. The use of chemometric methods yields a greater depth of information that will support improvements to the quality control of e-cigarette products and the assessment of their potential risk to human health.

为了阐明市售电子香烟中重金属元素的浓度并改进质量评估。采用电感耦合等离子体质谱法(ICP-MS)和化学计量学相结合的方法,测定了六个品牌的 32 种市售电子香烟的电子烟液和气溶胶中的铬、镍、砷、镉、锡、锑、汞和铅的浓度。电子烟液中含有4.858 至 274.658(铬)、17.292 至 3068.375(镍)、3.217 至 29.867(砷)、0.225 至 24.717(镉)、0.783 至 17.042(锡)、0.658 至 36.033(锑)、0.658 至 187.592(汞)和 2.458 至 17.417(铅)纳克 g-1。气溶胶样品中的重金属含量为:276.075 至 3333.175(铬)、72.908 至 1150.183(镍)、4.567 至 86.958(砷)、0.400 至 12.842(镉)、1.092 至 32.142(锡)、0.976 至 10.633(锑)、3.483 至 234.708(汞)、27.833 至 849.100(铅)纳克/100 puffs-1。电子液体中重金属的回收率为 99.1%至 112.4%,气溶胶中重金属的回收率为 87.3%至 116.6%,RSD 值均低于 10%。层次聚类分析将电子液体分为 8 个聚类,气溶胶分为 5 个聚类,显示了品牌内产品之间以及不同品牌之间的差异。正交偏最小二乘法判别分析加上投影中的变量重要性(VIP > 1)确定了造成电子液体之间差异的主要重金属是砷和锑,而气溶胶之间的差异则是由汞、砷、铅、镉和铬造成的。使用化学计量学方法可以获得更深入的信息,有助于改进电子烟产品的质量控制和评估其对人类健康的潜在风险。
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引用次数: 0
Flexible Co-Ni nanocomposites in situ synthesized on carbon fibers for highly sensitive electrochemical detection of H2O2 在碳纤维上原位合成柔性 Co-Ni 纳米复合材料,用于高灵敏度 H2O2 电化学检测
IF 1.2 4区 化学 Q3 Chemistry Pub Date : 2024-04-21 DOI: 10.1016/j.cjac.2024.100394
Qi GUO , Yanping LIU , Jinping WANG , Chi YANG

In this study, Co-Ni nanomaterials were in situ synthesized on carbon fiber paper substrates, termed Co-Ni paper. Scanning electron microscopy characterization demonstrates fabricated flake-like Co-Ni nanocomposites uniformly distribute on carbon fibers, forming three-dimensional continuous network structure. The fabricated sample is determined to be a mixture of Co, Ni and C elements according to energy-dispersive X-ray spectrometer analysis. Without any pretreatments, Co-Ni paper exhibits excellent electro-oxidation capabilities towards H2O2, such as an excellent detecting performance in a wide linear range of 0‒11.5 mM of H2O2, fast amperometric responses within 1 s, and a low detection limit of 2.53 μM. Along with these intriguing properties, the in situ-synthesized Co-Ni paper has a good anti-interference towards Na2SO4, ZnCl2, glucose and NaCl during H2O2 detection. Moreover, the H2O2 electro-chemical sensor on Co-Ni paper also possesses excellent reproducibility, long-term stability and high mechanical stability. This Co-Ni-paper-based sensor is effective to determine H2O2 in blood samples, thus it is promising for electrochemical H2O2 sensing.

本研究在碳纤维纸基底上原位合成了钴镍纳米材料,称为钴镍纸。扫描电子显微镜表征显示,制备的片状 Co-Ni 纳米复合材料均匀分布在碳纤维上,形成三维连续网络结构。根据能量色散 X 射线光谱仪的分析,可确定制得的样品是 Co、Ni 和 C 元素的混合物。无需任何预处理,Co-Ni 纸对 H2O2 具有出色的电氧化能力,如在 0-11.5 mM H2O2 的宽线性范围内具有出色的检测性能、1 秒内快速的安培反应以及 2.53 μM 的低检测限。除了这些引人入胜的特性外,原位合成的 Co-Ni 纸在检测 H2O2 时对 Na2SO4、ZnCl2、葡萄糖和 NaCl 具有良好的抗干扰性。此外,Co-Ni 纸上的 H2O2 电化学传感器还具有良好的重现性、长期稳定性和较高的机械稳定性。这种基于 Co-Ni 纸的传感器能有效测定血液样本中的 H2O2,因此在电化学 H2O2 传感方面大有可为。
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引用次数: 0
Luminescent metal-organic framework sensor for detection of biomarker 2-thiothiazolidine-4-carboxylic acid 用于检测生物标记物 2-硫代噻唑烷-4-羧酸的发光金属有机框架传感器
IF 1.2 4区 化学 Q3 Chemistry Pub Date : 2024-04-16 DOI: 10.1016/j.cjac.2024.100393
Kaiming GE , Ji-Na HAO , Yongsheng LI

Using terephthalic acid (BDC) as the organic ligand and zirconium chloride (ZrCl4) as the metal source, a lanthanide metal-organic framework (Tb/Zr-UiO-66) with excellent luminescence properties was successfully prepared by introducing the lanthanide ion Tb3+ in situ through a simple one-pot hydrothermal reaction, which was designed as an optical biosensor for 2-thiothiazolidine-4-carboxylic acid (TTCA), the urinary biomarker of human exposure to carbon disulfide (CS2). The fabricated Tb/Zr-UiO-66 exhibits high chemical and luminescent stability, making it competent for recognizing TTCA in aqueous environments. Significantly, its luminescence intensity change shows a good linearity relationship with the concentration of TTCA in the range of 0–110 μM, with a limit of detection (LOD) as low as 0.14 μM. Meanwhile, this sensor exhibits good selectivity and anti-interference ability towards TTCA among the various coexisting components in urine (Na+, K+, NH4+, SO42−, Cl , creatine, creatinine, glucose, urea, etc.), and can quickly respond to TTCA within 2 min. The analysis results of powder X-ray diffraction (PXRD), fluorescence lifetime and ultraviolet–visible (UV–vis) spectrum demonstrate that the sensing mechanism can be ascribed to the competition absorption effect between TCAA and Tb/Zr-UiO-66. This biosensor with simple synthesis, stable framework, high sensitivity and selectivity, and rapid response has potential to become a powerful tool for diagnosing diseases associated with CS2 exposure.

以对苯二甲酸(BDC)为有机配体,以氯化锆(ZrCl4)为金属源,通过简单的一锅水热反应原位引入镧系离子Tb3+,成功制备了具有优异发光特性的镧系金属有机框架(Tb/Zr-UiO-66)、将其设计为一种光学生物传感器,用于检测二硫化碳(CS2)暴露的尿液生物标志物--2-硫代噻唑烷-4-羧酸(TTCA)。制备的 Tb/Zr-UiO-66 具有很高的化学稳定性和发光稳定性,使其能够在水环境中识别 TTCA。值得注意的是,在 0-110 μM 的范围内,其发光强度变化与 TTCA 的浓度呈良好的线性关系,检测限(LOD)低至 0.14 μM。同时,在尿液中多种共存成分(Na+、K+、NH4+、SO42-、Cl-、肌酸、肌酐、葡萄糖、尿素等)中,该传感器对 TTCA 具有良好的选择性和抗干扰能力,能在 2 分钟内对 TTCA 做出快速反应。粉末 X 射线衍射(PXRD)、荧光寿命和紫外可见光谱分析结果表明,其传感机制可归因于 TCAA 与 Tb/Zr-UiO-66 之间的竞争吸收效应。这种生物传感器具有合成简单、框架稳定、灵敏度和选择性高、反应迅速等特点,有望成为诊断与 CS2 暴露相关疾病的有力工具。
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引用次数: 0
Simultaneous trace mass and quantity of airborne microplastics based on electromagnetic heating-pyrolysis-mass spectrometry, taking surgical face masks as an example 以外科口罩为例,基于电磁加热-热解-质谱法同时测定空气中微塑料的痕量质量和数量
IF 1.2 4区 化学 Q3 Chemistry Pub Date : 2024-04-12 DOI: 10.1016/j.cjac.2024.100392
Xiangnan ZHANG , Xintong ZHAO , Zhichao JI , Yifan CHEN , Ke SHI , Jie JIANG

Microplastics (MPs) in the atmosphere have attracted global concern due to their potential threats to human health. However, the current rapid analytical method for airborne MPs is insufficient, which hinders a comprehensive understanding of their environmental risks. In recent years, the disposable face masks have emerged as a new source of airborne MPs. There are significant knowledge gaps regarding MPs from mask, including detection methods, formation mechanisms, and environmental abundance. This study presented a novel analytical approach for the rapid detection of airborne MPs using the electromagnetic heating-pyrolysis-mass spectrometry (Eh-Py-MS). To validate this method, surgical face masks were employed as an illustrative example. The mass-related quantification of MPs was realized based on the Eh-Py-MS. By employing a conversion model of mass, size, and density, simultaneous assessment of both mass and quantity of MPs was realized. The recovery rates were in the range of 86.6%–111.6% and the precision (RSD) was 8.4%, which was sufficient for rapid quantification. Results showed that the simultaneous tracing of mass and quantity of airborne microplastics could be successfully achieved through the developed method. Furthermore, the formation mechanism of MPs in surgical masks under UV exposure was also investigated to address the knowledge gap of masks MPs. Results indicated that surgical masks could be a neglected source of airborne microplastics in the environment. This study aims to provide valuable insights for the rapid assessment of airborne MPs in the environment.

大气中的微塑料(MPs)因其对人类健康的潜在威胁而引起全球关注。然而,目前针对空气中的微塑料的快速分析方法还不够完善,这阻碍了对其环境风险的全面了解。近年来,一次性口罩成为空气中 MPs 的新来源。关于口罩中的多溴联苯醚,包括检测方法、形成机制和环境丰度等方面的知识还存在很大差距。本研究提出了一种利用电磁加热-热解-质谱法(Eh-Py-MS)快速检测空气中 MPs 的新型分析方法。为了验证这种方法,以外科口罩为例进行了说明。基于 Eh-Py-MS 实现了与质量相关的 MPs 定量。通过采用质量、尺寸和密度的转换模型,实现了对 MPs 质量和数量的同步评估。回收率在 86.6%-111.6% 之间,精密度(RSD)为 8.4%,足以满足快速定量的要求。结果表明,所开发的方法可成功实现对空气中微塑料质量和数量的同步溯源。此外,针对口罩中 MPs 的知识空白,还研究了紫外线照射下手术口罩中 MPs 的形成机理。结果表明,手术口罩可能是环境中被忽视的空气传播微塑料来源。本研究旨在为快速评估环境中的空气传播微塑料提供有价值的见解。
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引用次数: 0
A facile nickel nanocluster-based fluorescent ‘‘turn-off” sensor to detect tetracycline antibiotics 基于镍纳米簇的荧光 "关断 "传感器可轻松检测四环素类抗生素
IF 1.2 4区 化学 Q3 Chemistry Pub Date : 2024-04-01 DOI: 10.1016/j.cjac.2024.100380
Sunxing YU , Qionghua ZHENG , Jiayan SHI , Huaping PENG

Developing an effective method for monitoring of tetracycline (TC) concentrations is extremely crucial due to its adverse effects on both ecosystems and human health. In this study, we developed a novel glutathione-protected nickel nanoclusters (GSHNiNCs) fluorescent (FL) sensing platform to detect TC. The GSHNi NCs were synthesized by a facile one-pot route with GSH as a stabilizer and ascorbic acid (AA) as reducing agent. The experimental results confirmed that the FL of GSHNiNCs was quenched in the presence of TC based on both of the inner-filter effect (IFE) and photoinduced electron transfer (PET) mechanisms to achieve high sensitivity. Under the optimal conditions, excellent linear relationships existed between the FL intensities of GSHNiNCs and the logarithmic TC concentrations in the range of 0.5–120.0 and 120.0–300.0 μM. Even in the absence of surface modification or any complex signal amplification techniques, the proposed FL sensing platform for TC detection showed a low limit of detection of 58 nM (3σ/k). Thus, this approach provides considerable simplicity, low-cost, timesaving and flexibility for the construction of a TC sensor. Most remarkably, we could selectively analyze TC in milk samples without the need for tedious or time-consuming pretreatment processes. This work expands the FL analysis platform for TC detection, and facilitates the design and development of NiNC-based FL sensors for the monitoring of antibiotics.

由于四环素(TC)对生态系统和人类健康都有不利影响,因此开发一种有效的方法来监测四环素浓度极为重要。在这项研究中,我们开发了一种新型的谷胱甘肽保护镍纳米簇(GSHNiNCs)荧光(FL)传感平台来检测四环素。以谷胱甘肽为稳定剂,抗坏血酸(AA)为还原剂,通过简单的一锅法合成了GSHNi NCs。实验结果表明,GSHNi NCs 在 TC 存在的条件下,基于内滤效应(IFE)和光诱导电子转移(PET)两种机制淬灭了 FL,从而实现了高灵敏度。在最佳条件下,GSHNiNCs 的荧光强度与对数 TC 浓度在 0.5-120.0 和 120.0-300.0 μM 范围内呈良好的线性关系。即使没有表面修饰或任何复杂的信号放大技术,所提出的用于 TC 检测的 FL 传感平台也显示出 58 nM(3σ/k)的低检测限。因此,这种方法为 TC 传感器的构建提供了相当大的简便性、低成本、省时和灵活性。最值得一提的是,我们可以选择性地分析牛奶样品中的 TC,而无需繁琐或耗时的预处理过程。这项工作拓展了用于 TC 检测的荧光分析平台,促进了基于 NiNC 的荧光传感器在抗生素监测方面的设计和开发。
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引用次数: 0
Recent progress in fabrication and application of chiral interfaces 手性界面制造与应用的最新进展
IF 1.2 4区 化学 Q3 Chemistry Pub Date : 2024-04-01 DOI: 10.1016/j.cjac.2024.100391
Qixin Liu , Yuqi Zhang , Lie Wu , Xiue Jiang

Chirality, also known as handedness, is one of the most widespread and intriguing properties in nature, touching upon various fields including physics, chemistry, biology, medicine and beyond. Chiral interface is the place where chirality related process occurs. The development of synthetic chiral interface not only deepens the understanding of chiral mechanism, but also provides the basis for the application of chiral phenomenon. In this review, we provide a summary of the various types of chiral interfaces, their construction methods, and the recent process of their application in chiral recognition, chiral separation, and chiral catalysis, as well as a prospect for further direction.

手性,又称手性,是自然界中最广泛、最有趣的特性之一,涉及物理、化学、生物、医学等多个领域。手性界面是发生手性相关过程的地方。合成手性界面的发展不仅加深了对手性机理的理解,也为手性现象的应用提供了基础。在这篇综述中,我们总结了各种类型的手性界面及其构建方法,以及近年来它们在手性识别、手性分离和手性催化中的应用过程,并展望了进一步的发展方向。
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引用次数: 0
Zn-Al layered double hydroxide / polyurethane as a novel nanocomposite for cefixime antibiotic adsorption 用于吸附头孢克肟抗生素的新型纳米复合材料--Zn-Al 层状双氢氧化物/聚氨酯
IF 1.2 4区 化学 Q3 Chemistry Pub Date : 2024-04-01 DOI: 10.1016/j.cjac.2024.100385
Hatem Kh. Mohamed , Amna A. Kotp , Asmaa M. Salah , Zienab E. Eldin , Doaa Essam , Wesam kamal , Yasser GadelHak , Abeer Enaiet Allah , Sara Saeed , Sarah I. Othman , Ahmed Allam , Hassan Ahmed Rudayni , Rehab Mahmoud

Wastewater contaminated with antibiotics requires innovative solutions to remove such pollutants efficiently. In this work, Zn-Al layered double hydroxide (LDH) adsorbent supported on polyurethane (PU) (Zn-Al LDH/PU) was synthesized using a simple co-precipitation method. The synthesized material was characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA), zeta potential, and hydrodynamic size. This adsorbent was investigated for the removal of cefixime (CFX), which is a model third-generation cephalosporin antibiotic. The LDH phase showed a typical hexagonal layered morphology with layer sizes larger than 200 nm in diameter. CFX adsorption on PU, Zn-Al LDH and Zn-Al LDH/PU showed a maximum adsorption capacity of 94.43, 57.17, and 115.69 mg/g, respectively. The Redlich-Peterson and Baudu isotherm models were found to be the best fit models for CFX adsorption of Zn-Al LDH and Zn-Al/PU, respectively. The equilibrium time was found to be 175 and 250 min for CFX adsorption of Zn-Al LDH and Zn-Al/PU, respectively. CFX adsorption kinetics on Zn-Al LDH/PU best fitted the pseudo-second order model indicating chemisorption and diffusion limited adsorption process. Numerous types of bonding between functional groups of CFX and both Zn-Al LDH and PU could explain the adsorption mechanism. The selectivity study of CFX adsorption on Zn-Al LDH/PU using Sulfamethoxazole and Ciprofloxacin with different concentrations was investigated and discussed. The recyclability of this Zn-Al LDH/PU was also studied. Also, the effect of temperature was investigated at (23, 35, 45, 55 °C) and the thermodynamic parameters (∆H°, ∆S° and ∆G°) were calculated showing exothermic and spontaneous adsorption process.The methyl thiazolyl tetrazolium (MTT) assay indicated that the biocompatibility of Zn-Al LDH nanostructures was enhanced following modification with PU, demonstrating regulated and minimal cytotoxic effects towards normal liver cell line (WRL-68). The Zn-Al LDH/PU can be considered as a promising low-cost adsorbent for CFX antibiotic from wastewater streams.

受抗生素污染的废水需要创新的解决方案来有效去除此类污染物。本研究采用简单的共沉淀法合成了聚氨酯(PU)支撑的锌铝层状双氢氧化物(LDH)吸附剂(Zn-Al LDH/PU)。利用 X 射线衍射 (XRD)、傅立叶变换红外光谱 (FTIR)、扫描电子显微镜 (SEM)、透射电子显微镜 (TEM)、热重分析 (TGA)、ZETA 电位和流体力学尺寸对合成材料进行了表征。研究了这种吸附剂对第三代头孢菌素抗生素模型头孢克肟(CFX)的去除效果。LDH 相呈现典型的六角形层状形态,层直径大于 200 nm。CFX 在 PU、Zn-Al LDH 和 Zn-Al LDH/PU 上的最大吸附容量分别为 94.43、57.17 和 115.69 mg/g。Redlich-Peterson 等温线模型和 Baudu 等温线模型分别是 Zn-Al LDH 和 Zn-Al/PU CFX 吸附的最佳拟合模型。发现 CFX 对 Zn-Al LDH 和 Zn-Al/PU 的吸附平衡时间分别为 175 分钟和 250 分钟。CFX 在 Zn-Al LDH/PU 上的吸附动力学最符合伪二阶模型,表明吸附过程中存在化学吸附和扩散限制。CFX 与 Zn-Al LDH 和 PU 的官能团之间的多种键合类型可以解释其吸附机理。研究并讨论了不同浓度的磺胺甲噁唑和环丙沙星在 Zn-Al LDH/PU 上吸附 CFX 的选择性。还研究了这种 Zn-Al LDH/PU 的可回收性。甲基噻唑基四氮唑(MTT)测定表明,Zn-Al LDH 纳米结构经聚氨酯改性后,生物相容性得到了增强,对正常肝细胞系(WRL-68)的细胞毒性影响最小。Zn-Al LDH/PU 可被视为一种从废水中吸附 CFX 抗生素的低成本吸附剂。
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引用次数: 0
Preparation and characterization of silver-carbon composite semitransparent hollow microspheres for surface-enhanced Raman scattering 用于表面增强拉曼散射的银碳复合半透明空心微球的制备与表征
IF 1.2 4区 化学 Q3 Chemistry Pub Date : 2024-04-01 DOI: 10.1016/j.cjac.2024.100374
Jiao Liu , Pengpeng Jiang , Shaopeng Tian , Min Ren , Huaping Ren , Hongwei Yang

In this work, silver-carbon composite semitransparent hollow spheres (Ag/HCSs) have been successfully synthesized via hydrothermal carbonization (HTC) with trioctylamine (TOA) as a stabilizer and soft template. Furthermore, silver-carbon composites with core-shell structure (Ag@CSs) and carbon films loaded with silver nanoparticles composites with lamellar structure (Ag/CFs) were prepared by adjusting the amount of TOA. The Ag/HCSs were composed of a matrix of ultrathin translucent hydrothermal hollow carbon microspheres with Ag nanoclusters embedded, and numbers of Ag@CSs inside and outside of the hollow carbon microspheres. We further investigated the growth mechanism and morphology evolution, on the basis of the properties of Ag and HCSs, explored the application of the Ag/HCSs for surface-enhanced Raman scattering (SERS). SERS activity was investigated using Rhodamine 6 G (R6G) and crystal violet (CV) as the SERS probe molecules. Ag/HCSs exhibit the best SERS performance among three products. The semitranslucent carbon shell, localized surface plasmon resonances of AgNPs and the effect of charge transfer arising from oxygen-containing moieties make the Ag/HCSs to exhibit good SERS performance, which may give a little inspiration to prepare novel SERS substrates.

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引用次数: 0
Determination of 17 phthalate esters in water using GC–MS combined with magnetic solid phase extraction with Fe3O4@GO 利用气相色谱-质谱联用 Fe3O4@GO 磁性固相萃取法测定水中的 17 种邻苯二甲酸酯类化合物
IF 1.2 4区 化学 Q3 Chemistry Pub Date : 2024-04-01 DOI: 10.1016/j.cjac.2024.100378
Qinghua YANG , Zhimin HE , Yilan SHI , Jinxin WANG , Qianying QIU , Honghai DENG , Wenhui PING

In this study, a new technique was developed which combines magnetic solid phase extraction (MSPE) and gas chromatography-mass spectrometer (GC–MS), for the analysis of 17 phthalate esters (PAEs). First, a composite of iron (used as the magnetic part) and graphene oxide (GO) was synthesized for application in MSPE. Scanning electron microscop, X-ray diffraction and infrared spectroscopy were used to characterize this material. Finally, magnetic graphene oxide (Fe₃O₄@GO) was used to extract PAEs from water samples. Various parameters relevant to the extraction were optimized, such as the amount of adsorbent employed, adsorption time, luent solvent types and volume, and sample pH. These optimum conditions resulted in calibration curves for the 17 PAEs, showing linear relationships between concentration and response at concentrations of 25 to 2500 µg L⁻¹ with correlation coefficients from 0.9983 to 1.000. Limit of detection and limit of quantitationfor the PAEs ranged from 0.030 to 0.12 µg L⁻¹ and 0.10–0.40 µg L⁻¹, respectively. The recovery rates for these compounds in spiked samples were ranging from 81.5% to 109% with relative standard deviation less than 6.12%. The effectiveness of method was further demonstrated by its use in detecting 17 PAEs in samples of drinking and bottled water. Compounds such as DEP, DIBP, DBP, and DCHP were identified. These results thus highlight the suitability of Fe₃O₄@GO as an adsorbent for concentrating and purifying PAEs in water samples.

本研究开发了一种结合磁性固相萃取(MSPE)和气相色谱-质谱仪(GC-MS)的新技术,用于分析 17 种邻苯二甲酸酯(PAEs)。首先,合成了一种铁(用作磁性部分)和氧化石墨烯(GO)的复合材料,以应用于 MSPE。使用扫描电子显微镜、X 射线衍射和红外光谱对这种材料进行了表征。最后,磁性氧化石墨烯(Fe₃O₄@GO)被用于从水样中萃取 PAE。对与萃取有关的各种参数进行了优化,如使用的吸附剂量、吸附时间、溶剂类型和体积以及样品 pH 值。在这些最佳条件下,得出了 17 种 PAE 的校准曲线,在浓度为 25 至 2500 µg L-¹ 时,浓度与响应之间呈线性关系,相关系数为 0.9983 至 1.000。PAEs 的检出限和定量限分别为 0.030 至 0.12 µg L-¹ 和 0.10-0.40 µg L-¹。这些化合物在加标样品中的回收率为 81.5% 至 109%,相对标准偏差小于 6.12%。通过检测饮用水和瓶装水样品中的 17 种 PAE,进一步证明了该方法的有效性。检测出了 DEP、DIBP、DBP 和 DCHP 等化合物。这些结果表明,Fe₃O₄@GO 适合作为一种吸附剂来浓缩和净化水样中的 PAEs。
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引用次数: 0
Near-infrared spectroscopy combined with deep convolutional generative adversarial network for prediction of component content in melt-cast explosive 近红外光谱仪与深度卷积生成式对抗网络相结合,用于预测熔铸炸药中的成分含量
IF 1.2 4区 化学 Q3 Chemistry Pub Date : 2024-04-01 DOI: 10.1016/j.cjac.2024.100379
Qiang LIU, Jiajing ZHAO, Baosong DAN, Pengfei SU, Gao ZHANG

Rapid and nondestructive prediction of component content is the key to improve industrial production efficiency. However, limited data sets also result in low generalization capabilities of the model, and it is time-consuming to obtain a large amount of content reference values and costly. Here, near infrared (NIR) spectroscopy technique combined with deep convolutional generated countermeasure network (DCGAN) was used to predict the trinitrotoluene (TNT) content of the melt-cast explosive. DCGAN was used to simultaneously extend its spectral data and content data. After several iterations, fake data were produced, which was very similar to the experimental data. The partial least squares (PLS) regression model was established and the performance was compared before and after data enhancement. The results showed that this method not only improved the performance of regression model, but also solved the problem of requiring large number of training data.

快速、无损地预测成分含量是提高工业生产效率的关键。然而,有限的数据集也导致模型的泛化能力较低,而且获取大量含量参考值耗时且成本高昂。本文采用近红外光谱技术结合深度卷积生成对策网络(DCGAN)来预测熔铸炸药中的三硝基甲苯(TNT)含量。DCGAN 用于同时扩展其光谱数据和含量数据。经过多次迭代,生成了与实验数据非常相似的假数据。建立了偏最小二乘(PLS)回归模型,并比较了数据增强前后的性能。结果表明,这种方法不仅提高了回归模型的性能,还解决了需要大量训练数据的问题。
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Chinese Journal of Analytical Chemistry
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