JOURNAL OF MASS SPECTROMETRY
·
2023
·Vol. 59
·期 1
·e4990
·
IF 2.3
Yingying Liu,Xue Wang,Danyang Zhang,Chen Wang,Haijiao Xie,Hongping Chen,Yunfeng Chai
Decarboxylation is known to be the major fragmentation pathway for the deprotonated carboxylic acids in collision-induced dissociation (CID). However, in the CID mass spectrum of deprotonated benzoic acid ( m/z 121) recorded on a Q-orbitrap mass spectrometer, the dominant peak was found to be m/z 93 instead of the anticipated m/z 77. Based on theoretical calculations, 18 O-isotope labeling and MS 3 experiments, we demonstrated that the fragmentation of benzoate anion begins with decarboxylation, but the initial phenide anion ( m/z 77) can react with trace O 2 in the mass analyzer to produce phenolate anion ( m/z 93) and other oxygen-containing ions. Thus oxygen adducts should be considered when annotating the MS/MS spectra of benzoic acids.
研究领域:
分析化学
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质谱学
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DOI
PubMed
高影响因子
Polymers
·
2020
·Vol. 13
·期 1
·16
·
IF 3.426
Yuanchi Zhang,Jinlian Hu
The use of energy therapy including tourmaline/negative ions has gained huge popularity due to their long-standing historical evidence in improving human health and the technology development. However, the limitations of tourmaline based polyurethane fibers including the unsatisfied mechanical properties and negative ions releasing performances hind their further applications for wearable energy therapy. In this study, graphene oxide was modified within the polyurethane/tourmaline nanocomposite and then the wet-spinning method was used to prepare the fibers. As expected, the results proved that polyurethane/tourmaline/graphene oxide fiber had enhanced Young’s modulus (8.4 MPa) and tensile stain at break (335%). In addition, the number of released negative ions from polyurethane/tourmaline/graphene oxide fiber was significantly improved 17 times and 1.6 times more than that of neat polyurethane fiber and polyurethane/tourmaline fiber, respectively. Moreover, the releasing number of negative ions was significantly decreased after being applying voltage. We envision that the proposed polyurethane/tourmaline/graphene oxide fiber will provide valuable insights into the development of the wearable energy products.Keywords:graphene oxide;tourmaline;polyurethane fiber;negative ions;robust effects
研究领域:
材料科学
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生物医学工程
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DOI
PubMed
高影响因子
ANALYST
·
2021
·Vol. 146
·期 5
·1760-1771
·
IF 4.616
Tao Jiang,Feng Jiang,Zemin Zhuo,Huaxin Liu,Bin Hu,Mei Li,Lei Li,Zhengxu Huang,Zhen Zhou,Zhiqiang Zhu
Inert metals are of much importance and play a key role in modern industrial manufacturing. The analytical techniques of inert metals remain challenging. In particular, the mass spectrometry of inert metal elements is yet to be further developed, which also limits the contemporary conceptual in situ analysis of inert metals. As the representative element, the mass spectral detection of palladium is critical and of far-reaching significance. Herein, we developed a mass spectrometry method, which can be used for the high-speed and in situ analysis of palladium, and even for other inert metals. Combining the line ion trap mass spectrometer with the versatile ambient ionization source, a novel kilowatt microwave plasma torch (MPT) can be used to obtain the fully characteristic MPT mass spectra of palladium. Detailed multistage tandem mass spectra show that the general form of target ions is [M(O2)x(NO)mNy(NO2)n]− for the negative ion mode and [M(H2O)x(NO2)y(N2)m]+ for the positive ion mode. Moreover, the formation and evolution of these palladium complex ions were reasonably derived based on the analysis of MPT background mass spectra. This mass spectrometric technique is also suitable for the determination of the palladium-containing solution in the sub-trace level. Semi-quantitative results showed that the detecting ability for palladium in the negative mode is better than that of the positive mode. Under the negative ion mode, the limit of detection (LOD) for m/z 259 were evaluated to be 0.5 μg L−1 under the optimized conditions of the negative mode, with the linear range of 1–100 μg·L−1 (R2 ≥ 0.9985) and the relative standard deviation (RSD, n = 11) being in the range of 1.20%–5.98% (refer to Table S3). Our experimental data showed that MPT-MS was a promising technique for providing another alternative in the on-site analysis of liquid samples and other intimate relevant fields, as the supplement of ICP-MS for the detection of inert metal elements. On the other hand, this work will also certainly promote the more broad applications of platinum-group elements (PGE) in modern science and industry.
研究领域:
分析化学
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材料科学
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环境科学
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DOI
PubMed
高影响因子
AICHE JOURNAL
·
2023
·Vol. 70
·期 4
·e18319
·
IF 3.7
Meisi Chen,Wenjie Xiong,Weida Chen,Shangyu Li,Feng Zhang,Youting Wu
Carbanion-based ionic liquids are proposed and utilized as the key components for the construction of five super-nucleophilic deep eutectic solvents (SNDESs) in the paper. The super-nucleophilic nature of carbanion-based ionic liquids (ILs) is found to enable the capture of CO 2 with large absorption capacity. However, the absorption is very slow in the IL due to high viscosity. The synergy of carbanion siting and hydrogen bonding is found to enable high and fast absorption of CO 2 in [N 2222 ][CH(CN) 2 ]-ethylimidazole (Eim), and a synergistic absorption mechanism is proposed and validated from spectroscopic analyses and quantum calculations. The enthalpy change of CO 2 absorption in [N 2222 ][CH(CN) 2 ]-Eim is calculated to be −39.6 kJ mol −1 according to the thermodynamic model, and the moderate value implies that both absorption and desorption of CO 2 in the DES are favored and well balanced. The carbanion and hydrogen bond mediated by SNDESs provides a novel insight into the efficient CO 2 capture.
研究领域:
化学
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环境科学
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DOI
高影响因子
Science China-Chemistry
·
2013
·Vol. 56
·期 7
·863-873
·
IF 1.327
Wang LiTao,He Chen,Liu Yang,Zhao SuoQi,Zhang YaHe,Xu ChunMing,Chung Keng H.,Shi Quan
A vacuum topped Canadian oilsands bitumen (VTB) was subjected to solvent precipitation and subsequently characterized by elemental analysis, gel permeation chromatograph (GPC), 1 H-NMR spectroscopy and negative-ion electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Effects of experimental conditions such as solvent types ( n -C 5 , n -C 6 , and n -C 7 ), solvent purity, and solvent washing time on asphaltenes yields, bulk composition, and molecular composition of detectable heteroatom compounds in ESI source were determined. Elemental nitrogen and sulfur were enriched in asphaltenes while elemental oxygen had comparable content in maltenes and asphaltenes. Molecular composition of asphaltenes varies with separation conditions. The N 1 and O 1 species identified by ESI FT-ICR MS were enriched in maltenes. The O 2 species exhibited two different double bond equivalents (DBE) distributions and solubility in normal paraffin solvents, indicating two types of molecular structures. Multi oxygen atom containing compounds mainly detected in asphaltenes. Compound class distributions are similar for maltenes derived from n -C 5 , n -C 6 , and n -C 7 , as well as for asphaltenes. The cyclic paraffin impurities in normal paraffin solvents had a significant influence on asphaltenes yields and heteroatom molecular composition. A portion of neutral N 1 species and acidic O 2 species adsorbed on asphaltenes could be dissolved by increasing washing time. Cautions should be exercised when interpreting the properties and composition of asphaltenes obtained with different experimental conditions.
研究领域:
石油化学
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分析化学
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DOI
高影响因子
RSC Advances
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2014
·Vol. 4
·期 109
·63977-63984
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IF 3.708
Hui Gao,Wenqi Niu,Yan Hong,Beibei Xu,Chengyin Shen,Chaoqun Huang,Haihe Jiang,Yannan Chu
A novel negative photoionization chloride ion attachment ion mobility spectrometry (NP-CA-IMS) instrument has been developed. In this technique, chloride ion attachment technology is first applied to photoionization ion mobility spectrometry in a negative detection mode. The reactant ions are chloride ions, which are generated from the reaction between carbon tetrachloride (CCl4) and low energy electrons induced by the photoionization of acetone (CH3COCH3) with a commercial vacuum ultraviolet Krypton lamp. The generation efficiency of chloride ions was investigated. Subsequently, the performance of the instrument was investigated. A series of volatile straight chain organic carboxylic acids were detected in the order of magnitude of ppb, including acetic acid (CH3COOH), propionate acid (CH3CH2COOH), butyric acid (CH3(CH2)2COOH), valeric acid (CH3(CH2)3COOH), isovaleric acid (2-CH3(CH2)3COOH), hexanoic acid (CH3(CH2)4COOH), heptanoic acid (CH3(CH2)5COOH), and octanoic acid (CH3(CH2)6COOH). Besides, the concentration of acetic acid was calibrated and a mixture of the investigated acids was also studied. Finally, the new method's capability to detect acetic acid in five different brands of edible white vinegar was evaluated. The experimental results show that negative photoionization chloride ion attachment is an excellent nonradioactive source for IMS.
研究领域:
分析化学
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环境科学
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DOI
高影响因子
APPLIED SURFACE SCIENCE
·
2025
·
IF 6.9
Yingying Yang,Huiyuan Liu,Miao Wang,Kun Zhao,Jianxue Li,Ke Meng,Lei Tan,Zhimin Chen,Shaohua Liu,Jianwei Fu
Development of porous adsorbents tethered with ionic pendent groups is conducive to establish an efficient dye removal strategy in aqueous solution. Herein, a porous copolymer with carboxyl negative ions, termed as Poly(AA-co-DVB), was fabricated via one-step solvothermal copolymerization of acrylic acid with divinylbenzene and subsequent alkali treatment. Characterizations showed that Poly(AA-co-DVB) was rich in mesoporous structure and had a large specific surface area of 473.6 m 2 g −1 . The prominent structural feature endowed Poly(AA-co-DVB) with a high adsorption capacity of 604.5 mg g −1 for targeted contaminant crystal violet (CV) at 298 K. The influences of various factors on adsorption performance of Poly(AA-co-DVB) for CV were studied in detail. The adsorption process conformed to the Langmuir isotherm, pseudo-second-order kinetic and intraparticle diffusion models, in which the CV removal was endothermic and spontaneous in nature. Coexisting ions Na + and Ca 2+ promoted the CV removal, while Al 3+ suppressed the CV removal. Notably, after four cycles of adsorption–desorption, a slight increase in adsorption capacity was observed, demonstrating the excellent reusability of Poly(AA-co-DVB). The analysis of FT-TR, zeta potential, and XPS revealed that electrostatic attraction and π-π stacking contributed to the CV removal by Poly(AA-co-DVB).
研究领域:
环境科学
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材料科学
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DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2024
·
IF 8.1
Yuyan Feng,Dongbo Wang,Qingge Feng,Chenghua Fan,Ying Lu,Wenqiang Yang
Activation of peroxymonosulfate (PMS) to generate reactive oxygen species (ROS) for pollutant degradation via metal-free photocatalysts is an important green wastewater treatment and remediation method, but the pathway for generating ROS via exciton effects in catalysts is often overlooked. In this study, OH/C=O co-modified N-defective rod-shaped carbon nitride (Nv-CN-O) was designed and synthesized by soft template and alkali hydrothermal method. In the Nv-CN-O/PMS/Light system, there was a synergistic degradation of tetracycline (TC) by carriers and excitons, with a degradation rate 2.15 times higher than that of CN/PMS/Light. N vacancies and OH/C=O enhanced the adsorption to PMS, accelerated the charge transfer process, and activated PMS to generate ·O 2 − dominated reactive species. The functional group OH/C=O promoted the production of triplet excitons that through the energy transfer pathway to promote the production of 1 O 2 . Abundant ROS were involved in the TC degradation process, and three possible TC degradation pathways were proposed. Nv-CN-O has strong anti-interference ability in actual water bodies, shows a promoting effect on the degradation of TC, which has practical application potential.
研究领域:
环境科学
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催化化学
·
废水处理
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DOI
高影响因子
TALANTA
·
2021
·
IF 6.057
Ya Zhao,Xinnan Zhao,Tao Li,Xiao Wang,Cheng Zhong,Xiupin Wang,Peiwu Li
Glycerophospholipids (GPs) have a wide variety and complex structure, which makes their identification challenging. Our software affords a novel tool for the automated identification of non-target GPs in biological mixtures. Here, we explored the multi-stage fragmentation processes of GPs in positive and negative ion modes, and then constructed multi-stage fragment ion databases. This database includes 8214 simulated GP molecules from a random combination of fatty acids corresponding to 42,439 self-built predicted multi-stage fragment ions in positive ion mode and 31,487 self-built predicted multi-stage fragment ions in negative ion mode (MS ≤ 3). The automatic GP identification (AGPI) software can screen out GP candidates utilizing the MS 1 accurate mass. The isomers of fatty acid chains and the phosphoryl head group can be distinguished using the MS 2 and MS 3 fragment spectra in positive-ion and negative-ion modes. All of the selected 45 GP standards were putatively identified using AGPI software; however, there were false positives because the software cannot distinguish positional isomers of fatty acids. Therefore, the AGPI software could be applied to identify GPs in samples, such as cancer cells; we successfully identified 41 GPs in cancer cells.
研究领域:
生物化学
·
分析化学
·
计算生物学
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DOI
PubMed
高影响因子
Nature Communications
·
2020
·Vol. 11
·期 1
·1-8
·
IF 12.121
Xu Hong-Lei,Tkachenko Nikolay V.,Wang Zi-Chuan,Chen Wei-Xing,Qiao Lei,Muñoz-Castro Alvaro,Boldyrev Alexander I.,Sun Zhong-Ming
Sandwich-type clusters with the planar fragment containing a heterometallic sheet have remained elusive. In this work, we introduce the [K(2,2,2-crypt)] 4 {(Ge 9 ) 2 [ η 6 -Ge(PdPPh 3 ) 3 ]} complex that contains a heterometallic sandwich fragment. The title compound is structurally characterized by means of single-crystal X-ray diffraction, which reveals the presence of an unusual heteroatomic metal planar fragment Ge@Pd 3 . The planar fragment contains a rare formal zerovalent germanium core and a peculiar bonding mode of sp 2 -Ge@(PdPPh 3 ) 3 trigonal planar structure, whereas the nonagermanide fragments act as capping ligands. The chemical bonding pattern of the planar fragment consists of three 2c-2e Pd-Ge σ-bonds attaching Pd atoms to the core Ge atom, while the binding between the planar fragment and the aromatic Ge 9 ligands is provided by six 2c-2e Pd-Ge σ-bonds and two delocalized 4c-2e σ-bonds. The synthesized cluster represents a rare example of a sandwich compound with the heteroatomic metal planar fragment and inorganic aromatic capping ligands.
研究领域:
无机化学
·
材料科学
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DOI
高影响因子
ANALYTICA CHIMICA ACTA
·
2019
·
IF 5.256
Lingzhong Wan,Guanda Gong,Hao Liang,Guangming Huang
In situ identification and quantification of unsaturated fatty acid (FA) C=C positional isomers in human serum is herein performed by negative-ion paper spray (PS) mass spectrometry. Typically, by direct application of an alternating current (AC) voltage to the wet paper, the PS ionization could perform stably in the negative-ion mode without severe discharge. We suppose epoxidation reaction between unsaturated C=C bonds and reactive oxidative species might be initiated by a mild electrical discharge, which could be rapidly and controllably produced via a low amplitude AC voltage. Upon collision-induce dissociation (CID), the epoxide was fragmented to generate diagnostic ions indicating the C=C location. The intensity of the characteristic product ions could also be used for absolute quantification of the FA C=C positional isomers. The limits of detection (LODs) and limits of quantification (LOQs) were roughly in the range of 0.0178–0.0506 μ M and 0.0218–0.3634 μ M for standard FAs. Without the additional sample preparations or reactive chemical reagents , epoxidation of unsaturated FAs and ionization of the epoxide could be achieved in one-step by negative-ion mode PS, which enable a promising methodology for on-site clinical diagnosis.
研究领域:
分析化学
·
临床诊断
·
质谱分析
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产品关联
DOI
PubMed
高影响因子
TALANTA
·
2022
·
IF 6.556
Li Zhan,Chengyuan Liu,Keke Qi,Liutian Wu,Ying Xiong,Xuan Zhang,Jianye Zang,Yang Pan
In this work, endogenous metabolites in mouse brain tissue were imaged by negative desorption electrospray ionization (DESI), ammonia assisted DESI (aa-DESI), DESI/post-photoionization (DESI/PI), and ammonia assisted DESI/PI (aa-DESI/PI) mass spectrometry imaging (MSI) strategies. The combined effect of ammonia additive and post-photoionization was found to play an important role in the enhancement of sensitivity and coverage for endogenous analytes under ambient conditions. Compared with DESI, aa-DESI/PI can provide increased signal intensities for metabolites up to 37.1-fold, as well as the imaging of nine more small metabolites ( m/z < 350) (26 for aa-DESI/PI and 17 for DESI) in mouse brain tissue. The results of Pearson correlation analysis and KEGG pathway analysis showed that the enhanced imaging strategy of aa-DESI/PI can facilitate the study of endogenous metabolic pathways and molecular networks. Moreover, the imaging results of mouse tumor tissue demonstrated the promising application of aa-DESI/PI in tumor research.
研究领域:
分析化学
·
生物信息学
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分子生物学
·
医学影像
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产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）