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Comparative proteomics analysis of female fibromyalgia and osteoarthritis using data-independent acquisition sequential window acquisition of all theoretical mass spectra-based mass spectrometry 利用基于所有理论质谱的质谱数据独立采集顺序窗口采集技术,对女性纤维肌痛和骨关节炎进行比较蛋白质组学分析
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-23 DOI: 10.1002/jccs.202400099
Cheng-Yu Kuo, Kuo-Tung Tang, Wei-Chen Wang, Yi-Feng Zheng, Yi-Ling Wu, Chih-Jui Chang, Chien-Chen Lai

Fibromyalgia (FM) is a widespread muscle pain disorder that primarily affects females. Osteoarthritis (OA) is another common chronic condition. This study utilized sequential window acquisition of all theoretical mass spectra (SWATH)-based proteomic analysis on the urine of patients with FM and OA. The study identified 54 differentially expressed proteins (DEPs) in the FM group compared to the healthy control (HC) group; 17 DEPs in the OA group compared to the HC group; and 47 DEPs in the FM group compared to the OA group, with a p-value <0.05 and a fold change >1.5 or <0.67. The DEPs in both FM and OA groups were primarily involved in pathways related to coagulation and the complement system, as well as serotonin, dopamine, glutamate pathways, and acute phase reactions. The study suggests that FM and OA induce inflammatory reactions, significantly altering the expression of acute phase proteins and notably decreasing the expression of GNB2. This distinction between health and disease, and the differentiation between FM and OA, is facilitated through the coagulation and complement systems, with SERPING1 and EPCR being key markers. Through these pathways, a better understanding of the impact of FM and OA on the human proteome is achieved.

纤维肌痛(FM)是一种主要影响女性的广泛性肌肉疼痛疾病。骨关节炎(OA)是另一种常见的慢性疾病。本研究利用基于所有理论质谱顺序窗口获取(SWATH)的蛋白质组学分析,对 FM 和 OA 患者的尿液进行了分析。研究发现,与健康对照(HC)组相比,FM 组有 54 个差异表达蛋白(DEPs);与健康对照组相比,OA 组有 17 个差异表达蛋白(DEPs);与 OA 组相比,FM 组有 47 个差异表达蛋白(DEPs),P 值为 0.05,折合变化为 1.5 或 0.67。FM 组和 OA 组的 DEPs 主要涉及与凝血和补体系统有关的通路,以及血清素、多巴胺、谷氨酸通路和急性期反应。研究表明,FM 和 OA 会诱发炎症反应,显著改变急性期蛋白的表达,明显降低 GNB2 的表达。这种健康与疾病之间的区别以及 FM 和 OA 之间的区别是通过凝血和补体系统促进的,其中 SERPING1 和 EPCR 是关键标志物。通过这些途径,可以更好地了解 FM 和 OA 对人体蛋白质组的影响。
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引用次数: 0
Extraction of genomic DNA from wild boar (Sus scrofa) muscle tissue using hydrophobic magnetic deep eutectic solvents 使用疏水磁性深共晶溶剂提取野猪(Sus scrofa)肌肉组织中的基因组 DNA
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-22 DOI: 10.1002/jccs.202400096
Xingchen He, Yihan Ma, Hongyu Wang, Yani Ma, Qian Li, Xin Tang, Xiaoyang Mo, Xueqin Ding

Extraction of high-quality genomic DNA from wild boar tissue is of great significance for the study of its genetic information, population quantity, and distribution. In this work, a hydrophobic magnetic deep eutectic solvent (HMDES) was synthesized. Based on the HMDES, a HMDES-based vortexed extraction method was developed for extracting genomic DNA from wild boar muscle tissue. Compared to the traditional high salt-extraction method, this approach is faster and embraces higher DNA extraction efficiency. Different pretreatment methods before extraction were evaluated. Single-factor experiments were used to optimize the extraction condition, for example, extraction time, temperature, and HMDES volume. After extraction, the DNA can be quickly and easily recovered from the HMDES phase, and the HMDES can be reused. This work provides a simple and environmental-friendly extraction method for DNA extraction from wild boar tissue.

从野猪组织中提取高质量的基因组 DNA 对研究其遗传信息、种群数量和分布具有重要意义。本研究合成了一种疏水性磁性深共晶溶剂(HMDES)。在 HMDES 的基础上,开发了一种基于 HMDES 的涡旋提取法,用于提取野猪肌肉组织中的基因组 DNA。与传统的高盐提取法相比,该方法提取速度更快,DNA提取效率更高。对提取前的不同预处理方法进行了评估。通过单因素实验来优化提取条件,如提取时间、温度和 HMDES 容量。提取后,DNA 可快速、方便地从 HMDES 相中回收,且 HMDES 可重复使用。这项工作为从野猪组织中提取 DNA 提供了一种简单、环保的提取方法。
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引用次数: 0
Structural characterization of iron azadiethylthiolate complexes: Insights from NMR, crystallography, and ion mobility-mass spectroscopy 偶氮二乙基硫代酸铁配合物的结构特征:核磁共振、晶体学和离子迁移质谱的启示
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-22 DOI: 10.1002/jccs.202400107
Yu-Chiao Liu, Yi-Chi Ho, Gene-Hsiang Lee, Ming-Hsi Chiang, Mei-Chun Tseng

Fe3(CO)12 reacted with azadiethylthiols afforded [Fe2(μ-S(CH2)2NR(CH2)2S)(CO)6]2 (R = nPr, 1A; iPr, 2A). Structure analysis revealed that 1A features the anti-(a,e,a,e) configuration, while its iso-propyl 2A adopts the syn-(a,e,a,e) arrangement. NMR measurements at room temperature confirmed this structure, showing distinct signals for 2 NCH2 and 2 SCH2 methylene groups. Acid treatment of 12 yielded N-protonated species (1A–H, 2A–H), maintaining the anti-(a,e,a,e) configuration. Isolation of 1B–H revealed both the syn-(a,e,e,a) and anti-(a,e,e,a) configuration by X-ray single-crystallography. Protonation of 1A–H induced downfield shifts in methylene proton signals, with NH hydrogen recorded at 6.96 ppm. Furthermore, 1B–H displays similar NMR behavior, indicating the coexistence of two isomeric molecules of 1B–H, syn-(a,e,e,a) and anti-(a,e,e,a), which is consistent with the crystallographic results. Moreover, ion mobility-mass spectrometry (IM-MS) is harnessed for the swift identification and differentiation of these isomeric complexes in solution. By leveraging accurate mass measurements and MS/MS analyses, the molecular formula and constituents are validated. The sample mobility enables straightforward characterization of 1A, 1B, and 2A in relation to their stereo- and regio-configurations, obviating the need for extensive time or sample quantities. Integration of findings from X-ray crystallography, NMR, and IM-MS furnishes precise and comprehensive structural insights into the coordination complexes.

Fe3(CO)12 与偶氮二乙基硫醇反应生成了 [Fe2(μ-S(CH2)2NR(CH2)2S)(CO)6]2(R = nPr,1A;iPr,2A)。结构分析表明,1A 具有反(a,e,a,e)构型,而其异丙基 2A 则采用了合成(a,e,a,e)排列。室温下的核磁共振测量证实了这一结构,并显示出 2 个 NCH2 和 2 个 SCH2 亚甲基的不同信号。对 1-2 进行酸处理后得到了 N-质子化物种(1A-H、2A-H),保持了反(a,e,a,e)构型。分离出的 1B-H 通过 X 射线单晶显现出同(a,e,e,a)和反(a,e,e,a)构型。1A-H 的质子化引起了亚甲基质子信号的下移,NH 氢被记录在 6.96 ppm 处。此外,1B-H 也显示出类似的核磁共振行为,表明 1B-H 存在两种异构体分子,即 syn-(a,e,e,a) 和 anti-(a,e,e,a) ,这与晶体学结果一致。此外,利用离子迁移质谱法(IM-MS)可以迅速识别和区分溶液中的这些异构体复合物。通过精确的质量测量和 MS/MS 分析,分子式和成分得到了验证。样品的流动性使 1A、1B 和 2A 的立体构型和区域构型得以直接表征,无需花费大量时间或样品量。综合 X 射线晶体学、核磁共振和 IM-MS 的研究结果,可以对配位复合物进行精确而全面的结构分析。
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引用次数: 0
Microdroplet-assisted protein adduct formation and characterization by mass spectrometry 微滴辅助蛋白质加合物的形成和质谱鉴定
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-21 DOI: 10.1002/jccs.202400085
Chih-Hung Wang, Hung-Hsiang Jen, Fung-Yu Chen, Kang-Yu Liu, Shu-Hui Chen

There have been increasing interests in developing proteomics-based protein adduct detection for monitoring carcinogen exposure risk. Generating adducted protein standards and characterizing the adduction sites by bottom-up proteomics, however, require lengthy adduction and enzymatic digestion. Here we demonstrated that microdroplet can greatly accelerate the catechol estrogen adduction on hemoglobin (Hb) as well as one-pot reaction of adduction and enzyme digestion in millisecond for bottom-up characterization. The adducted Hb generated by microdroplet reaction was characterized to contain one to two catechol estrogens with the β chain of Hb (Hb-β) by online in situ intact measurement of mass spectrometry. The adduction sites were further identified to be C112-Hb-β or C93-Hb-β by microdroplet one-pot or two-step adduction and digestion. These results were consistent with the intact measurement and also same as the bulk or endogenous reaction. This method is expected to be applicable to prepare protein standards adducted by other reactive oxidizing species to greatly save time and sample amount.

人们越来越关注开发基于蛋白质组学的蛋白质加合物检测技术,以监测致癌物质暴露风险。然而,通过自下而上的蛋白质组学方法生成加合物蛋白质标准并确定加合物位点的特征,需要长时间的加合物和酶解过程。在这里,我们证明了微滴可以大大加快儿茶酚雌激素对血红蛋白(Hb)的加成,以及在毫秒级时间内完成加成和酶消化的一锅反应,从而实现自下而上的表征。通过在线原位质谱完整测量,表征了微滴反应生成的加成血红蛋白含有一到两种儿茶酚雌激素与血红蛋白的β链(Hb-β)。通过微滴一锅式或两步式加和消化法,进一步确定了加和位点为 C112-Hb-β 或 C93-Hb-β。这些结果与完整的测量结果一致,也与大量或内源反应的结果相同。该方法可用于制备与其他活性氧化物加成的蛋白质标准品,大大节省了时间和样品量。
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引用次数: 0
Synthesis, characterization, and a comparative study on the catalytic activity of the functionalized magnetic nanoparticles for the green oxidation of sulfides 用于硫化物绿色氧化的功能化磁性纳米粒子的合成、表征和催化活性比较研究
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-21 DOI: 10.1002/jccs.202400119
Saeed Rayati, Mohammad Mazraeh, Saeedeh Shokoohi, Parinaz Nafarieh, Fatemeh Nejabat

In the following research, meso-tetrakis(4-carboxyphenyl)porphyrinatomanganese (III) acetate (MnTCPP(OAc)) was immobilized onto the surface of two functionalized magnetic nanoparticles (MNPs) with different linker length via amide bond (Fe3O4@SiO2-NH2-MnTCPP(OAc) (A1) and Fe3O4@SiO2-NHCO-NH2-MnTCPP(OAc) (A2)). The prepared catalysts were characterized by standard methods such as: atomic absorption spectroscopy (AAS), Ultra violet-visible (UV-Vis), Fourier-transform infrared (FT-IR), vibrating sample magnetometry (VSM), field emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM) techniques and also the effect of the length of the linker on the catalytic activity of supported magnetic nanohybrids was investigated. The prepared magnetic nano-catalysts with different linker lengths were participated in a comparative study of the clean oxidation of sulfides with urea hydrogen peroxide (UHP) in ethanol. The higher catalytic activity, selectivity and also reusability were achieved in the presence of the catalyst with longer linker length (A2) at ambient temperature. Moreover, the turnover number (TON) of catalytic reactions using A2 as catalyst was highly enough to consider the catalyst as an efficient material to oxidize various sulfides. Both A1 and A2 catalysts simply have accomplished 5 runs of recycling without significant decrease in the catalytic activity.

在接下来的研究中,中四(4-羧基苯基)卟啉锰(III)醋酸盐(MnTCPP(OAc))通过酰胺键被固定在两种具有不同连接长度的功能化磁性纳米粒子(MNPs)(Fe3O4@SiO2-NH2-MnTCPP(OAc) (A1)和Fe3O4@SiO2-NHCO-NH2-MnTCPP(OAc) (A2))表面。制备的催化剂采用标准方法进行了表征,如原子吸收光谱(AAS)、紫外可见光(UV-Vis)、傅立叶变换红外(FT-IR)、振动样品磁力计(VSM)、场发射扫描电子显微镜(FE-SEM)和透射电子显微镜(TEM)技术,并研究了链接长度对支撑磁性纳米杂交催化活性的影响。所制备的具有不同链接长度的磁性纳米催化剂参与了乙醇中硫化物与脲过氧化氢(UHP)清洁氧化的比较研究。在常温下,链接长度较长的催化剂(A2)具有更高的催化活性、选择性和可重复使用性。此外,使用 A2 作为催化剂进行催化反应的周转次数(TON)也很高,足以说明该催化剂是一种氧化各种硫化物的高效材料。A1 和 A2 催化剂都能简单地完成 5 次循环,而催化活性没有明显下降。
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引用次数: 0
Selective and sensitive detection of 4-nitrophenol in ecological water samples based on terbium tungstate anchored with graphitic nitride 基于氮化石墨锚定的钨酸铽对生态水样中 4-硝基苯酚的选择性灵敏检测
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-18 DOI: 10.1002/jccs.202400086
Ganesh Abinaya Meenakshi, Subramanian Sakthinathan, Te-Wei Chiu

In this work, the Tb2(WO4)3/C3N4 composite is for the electrochemical sensing of 4-nitrophenol (4-NP). Tb2(WO4)3 was prepared by hydrothermal method. Tb2(WO4)3 homogeneously functionalized with the g-C3N4 by a noncovalent π–π interaction. Besides, field emission scanning electron microscopy, x-ray diffraction studies, and energy-dispersive x-ray spectroscopy were utilized to characterize the prepared materials. Cyclic voltammetry and amperometry techniques were used to investigate the electrocatalytic behavior of prepared electrode materials. The reduction in 4-NP exhibits high electrocatalytic activity, with best at working voltage with a linear response range of up to 1200 μM. Moreover, the SPCE/C3N4/Tb2(WO4)3 electrode exhibited a detection limit and sensitivity of 0.23 μM and 1.72 μAμM−1 cm−2, respectively. The electrode provides a workable platform for the analysis of 4-NP in water samples and is highly reproducible and stable.

在这项研究中,Tb2(WO4)3/C3N4 复合材料用于 4-硝基苯酚(4-NP)的电化学传感。Tb2(WO4)3 是通过水热法制备的。Tb2(WO4)3 与 g-C3N4 通过非共价的 π-π 相互作用而均匀地官能化。此外,还利用场发射扫描电子显微镜、X 射线衍射研究和能量色散 X 射线光谱来表征制备的材料。利用循环伏安法和安培计技术研究了所制备电极材料的电催化行为。4-NP 的还原表现出很高的电催化活性,在工作电压下的线性响应范围最高可达 1200 μM。此外,SPCE/C3N4/Tb2(WO4)3 电极的检测限和灵敏度分别为 0.23 μM 和 1.72 μAμM-1 cm-2。该电极为分析水样中的 4-NP 提供了一个可行的平台,并且具有高度的重现性和稳定性。
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引用次数: 0
Development of a pH-strip-based sensor for the detection of ammonia in exhaled breath as a promising method for the diagnosis of Helicobacter pylori infections 开发一种基于 pH 值带的传感器,用于检测呼出气体中的氨,作为诊断幽门螺旋杆菌感染的一种有效方法
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-18 DOI: 10.1002/jccs.202400093
Ming-Chang Tsai, Chi-Chih Wang, Hsieh-Hsunh Chung, Ping-His Hsieh, Hwei-Yan Tsai

The early detection and treatment of Helicobacter pylori infections can help prevent the formation of ulcers and development of gastric cancer in humans. The urea breath test (UBT) is a noninvasive test for diagnosing H. pylori. However, isotopic-labeled UBT reagents are expensive and require specialized test equipment to detect isotopic CO2. In this study, the development of a user-friendly, cost-effective, and alternative method for diagnosing H. pylori infections by detecting NH3 in exhaled breath is reported. A commercial disposable pH strip is modified with sodium carboxymethylcellulose to enhance its performance in gaseous environments. The modified pH strip exhibits compatibility with both acidic (HCl and CH3COOH) and alkaline (NH3) gases. Furthermore, the sensor monitors the production of NH3 resulting from fish spoilage for 72 h, highlighting its real-time capabilities. The feasibility of employing this simple strip sensor to detect H. pylori infection in patients is investigated through in vitro experiments and preliminary clinical studies. The simple strip sensor is a promising alternative to the C-13 UBT for detecting H. pylori infection.

幽门螺旋杆菌感染的早期检测和治疗有助于预防人类溃疡的形成和胃癌的发展。尿素呼气试验(UBT)是一种诊断幽门螺杆菌的无创检测方法。然而,同位素标记的尿素呼气试验试剂价格昂贵,而且需要专门的检测设备来检测同位素二氧化碳。本研究通过检测呼出气体中的 NH3,开发了一种用户友好、经济高效的诊断幽门螺杆菌感染的替代方法。使用羧甲基纤维素钠对商用一次性 pH 试纸进行改性,以提高其在气体环境中的性能。改良后的 pH 试纸对酸性(HCl 和 CH3COOH)和碱性(NH3)气体都具有兼容性。此外,该传感器还能在 72 小时内监测因鱼类腐败而产生的 NH3,突出了其实时性。通过体外实验和初步临床研究,研究了使用这种简单的条状传感器检测患者幽门螺杆菌感染的可行性。这种简单的条状传感器有望替代 C-13 UBT 检测幽门螺杆菌感染。
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引用次数: 0
Preview: Journal of the Chinese Chemical Society 07/2024 预览:中国化学会志 07/2024
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-15 DOI: 10.1002/jccs.202407001
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引用次数: 0
Cover: Journal of the Chinese Chemical Society 07/2024 封面:中国化学会志 07/2024
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-15 DOI: 10.1002/jccs.1848

In this paper, photograph of the sample environ-ment set-up at the TLS 15A1 experimental station of the NSRRC. The storage ring delivers a high-quality light source, and the experimental station is equipped with state-of-the-art instruments. Together, they enable the acquisition of high-resolution complex structures, facili-tating further research and applications. More details about this figure will be discussed by Dr. Chun-Hsiang Huang and his co-worker on page 721–731 in this issue.

本文为国家遥感中心 TLS 15A1 实验站的样品环境设置照片。存储环提供高质量光源,实验站配备最先进的仪器。它们共同实现了高分辨率复杂结构的采集,为进一步的研究和应用提供了便利。黄春祥博士及其合作者将在本期第 721-731 页讨论该图的更多细节。
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引用次数: 0
Contents and Masthead: Journal of the Chinese Chemical Society 07/2024 内容和刊头:中国化学会志 07/2024
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-15 DOI: 10.1002/jccs.1849
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引用次数: 0
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