Planetary Science Journal
·
2025
·Vol. 6
·期 3
·55
·
IF 4.3
Erbin Shi,Xiaojia Zeng,Jian Chen,Enming Ju,Zongcheng Ling
Calcium sulfates are widely distributed in Gale crater and Endeavour crater on Mars. However, the mole ratios of Ca2+ and SO3 in some Sr–Ba-rich sulfate veins are less than 1. This indicates that there may be additional solid solution phases on Mars, including Ca–Sr, Ba–Sr, and Ca–Ba sulfates, which, on Earth, are typically found in marine environments. In this study, we synthesized a series of Ca–Sr, Ba–Sr, and Ca–Ba sulfate solid solutions in the laboratory. These synthesized solid solutions were then characterized using various techniques, including X-ray powder diffraction (XRD), Raman, mid-infrared, and visible and near-infrared. Our results show that the XRD and Raman spectra of Ca–Sr and Ba–Sr sulfates varied with their cation contents. In particular, the linear relationships (R2 ≥ 0.98) between the mole ratios of cation ions and peak positions of {{\rm{SO}}}_{4}^{2{-}} tetrahedron (v1) in Raman spectra were obtained. The mole content of Ca2+, Sr2+, and Ba2+ can be precisely constrained in Ca–Sr, Ba–Sr, and Ca–Ba sulfate solid solution phases through linear relationships, respectively. These results are the experimental basis for analyzing in situ detection data (e.g., SHERLOC, SuperCam, and Oxia planum) and can be used to precisely constrain the mineral phases of calcium sulfate veins on Mars.
研究领域:
地质学
·
行星科学
·
光谱学
✓ 已验证
产品关联
DOI
高影响因子
PHYSICS AND CHEMISTRY OF LIQUIDS
·
2017
·
IF 1.145
Bosheng Zhao,Lihua Liu,Xiaoxia Yang,Chang Liu,Feng Sha,Jianbin Zhang
Thermophysical properties for binary mixture of tetraethylene glycol (T4EG) (1) + 1,2-ethanediamine (EDA) (2), a potential scrubbing solution for the absorption of CO2, are very important as well as lacking in the literatures. This work reports densities and viscosities over the entire concentration range for the binary mixture at T = (293.15-318.15) K under atmospheric pressure. According to the experimental density and viscosity values, the mixtures’ excess molar volume (VmE), absolute viscosity deviation (∆η), excess free energies of activation (∆G*E), apparent molar volumes, partial molar volumes and isobaric thermal expansion coefficient were calculated, respectively. Meanwhile, the VmE, ∆η and ∆G*E values were fitted by a Redlich–Kister equation to obtain coefficients. To further study, the Fourier transform infrared, UV-Vis and fluorescence spectra of T4EG + EDA mixtures with various concentrations were measured, and the intermolecular interaction of T4EG with EDA was also discussed as the formation of –OCH2CH2O–H···N(H2)CH2CH2(H2)N···.
研究领域:
化学工程
·
物理化学
✓ 已验证
DOI
高影响因子
Water
·
2022
·Vol. 14
·期 17
·2619
·
IF 3.53
Liqiang Tan,Yuxiang Wang,Song Wang,Caijin Wu,Dong Li,Yisheng Chen,Haocheng Wang
Humic substances have a potential role in the fate and transport of toxic metal ions in the environment due to their colloidal characteristics and abundant surface functional groups. Batch techniques (DLS, EPM, FT-IR and fluorescence EEM) were developed to assess the aggregation mechanisms of humic acid (HA) reacting with Cs+or Co2+electrolyte ions in this work. The kinetic experimental results indicated that a much lower Co2+ion concentration (0.03–1.50 mmol/L) induced rapid aggregation of HA compared to that of Cs+(3.0–15 mmol/L), and the divalent Co2+ion was far more effective in enhancing HA aggregation than monovalent Cs+. The aggregation kinetics of HA were also found to be pH-dependent, and a much lower pH condition (pH 5.0) caused more rapid aggregation (the largest hydrodynamic diameter of ~3000 nm) compared to those at pH 7.0 (the largest hydrodynamic diameter of ~2000 nm). Positively charged metal ions in the solution can lower the electrostatic repulsive force between HA molecules through charge neutralization, thus leading to the rapid aggregation of HA aggregates. Furthermore, the carboxylic and phenolic groups on the HA surface were also involved in the aggregation reaction to form inner complexes and accelerate the aggregation process.Keywords:humic acid;aggregation;metal ions;kinetics;spectrum analysis
研究领域:
环境科学
·
化学
✓ 已验证
DOI
高影响因子
FOOD CHEMISTRY
·
2024
·
IF 8.5
Lingyu Han,Fang Ma,Ping He,Qun Zhou,Zhanping Li,Suqin Sun
The characterization of structure of organic salts in complex mixtures has been a difficult problem in analytical chemistry. In the analysis of Scutellariae Radix (SR), the pharmacopoeia of many countries stipulates that the quality control component is baicalin (≥9% by high performance liquid chromatography (HPLC)). The component with highest response in SR was also baicalin detected by liquid chromatography-mass spectrometry (LC-MS). However, in the attenuated total reflection Fourier transform infrared spectroscopy, the carbonyl peak of glucuronic acid of baicalin did not appear in SR. The results of element analysis, time of flight secondary ion mass spectrometry, matrix assisted laser desorption ionization mass spectrometry and solid-state nuclear magnetic resonance all supported the existence of baicalin magnesium salt. Based on this, this study proposes an analysis strategy guided by infrared spectroscopy and combined with multi-spectroscopy techniques to analyze the structure of organic salt components in medicinal plant. It is meaningful for the research of mechanisms, development of new drugs, and quality control.
研究领域:
药学
·
分析化学
·
植物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2024
·
IF 8.5
Huihui Li,Zhuangwei Zhang,Jin Chen,Mengchu Sun,Hongjin Tang
This study aimed to elucidate how Cu 2+ influences the interaction between catechins and zein using multi-spectral and molecular modeling techniques. As a result, UV–vis spectra revealed characteristic changes, indicating chelation between catechins and Cu 2+ at a 1:1 M ratio. Fluorescence spectra further confirmed interaction through a static quenching mechanism between catechins/catechin-Cu 2+ complexes and zein. Catechins induced changes in the microenvironment and hydrophobicity surrounding the binding site of zein, whereas Cu 2+ had minimal impact on these aspects. CD spectra underscored catechins' role in altering zein's secondary structure conformation, alongside Cu 2+ . Various types of interactions (hydrophobic, hydrogen bonding, electrostatic, and van der Waals) contributed to the binding of catechins/catechin-Cu 2+ complexes with zein. Molecular modeling elucidated key residues and binding conformations, highlighting the significance of hydrophobic interactions and hydrogen bonding in their association. These findings not only deepen our understanding of catechin-Cu 2+ -zein interactions but also underscore their potential applications in the food industry.
研究领域:
食品科学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Biomedical Spectroscopy and Imaging
·
2015
·Vol. 4
·期 2
·129-137
·
IF 0
Gao Yunlong,Li Da,Shi Jia-jia,Wang Xiaomin,Kang Tingguo,Weng Shifu,Xu Yizhuang,Noda Isao,Wu Jinguang
Two-dimensional (2D) correlation spectroscopy provides an important approach to the study of subtle spectral variations caused by intermolecular interactions. In our previous work, DAOSD (Double Asynchronous Orthogonal Sample Design) scheme was introduced to analyze subtle spectral variations of characteristic peaks of substance under intermolecular interactions. In this paper, we apply DAOSD scheme to probe weak coordination between lanthanide (III) ions and lactone group of organic ligands from natural pharmaceutical. Weak coordinative interaction between Nd3+ and carbonyl group in Nd(ClO4)3/artemisinin in acetonitrile solutions is characterized by using 2D UV/IR hetero-correlation spectroscopy. Experimental results demonstrate that subtle band-shift and variation on the absorptivity can be observed on both carbonyl band of artemisinin and f–f transition band of Nd3+ ions upon coordination.
研究领域:
药学
·
光谱学
·
配位化学
✓ 已验证
DOI
JOURNAL OF MOLECULAR LIQUIDS
·
2016
·
IF 2.74
Tianxiang Zhao,Xianshu Qiao,Qiang Xu,Xiaohong Xie,Xionghui Wei,Jianbin Zhang
Isothermal gas-liquid equilibrium (GLE) data were measured for dilute SO 2 in the binary system polyethylene glycol 600 (PEG) + H 2 O at T = 298.15 K and p = 122.66 kPa, in which SO 2 partial pressures were calculated in the range of (0 to 140) Pa. Based on the fitting GLE data, Henry’s law constants ( H x ) of dilute SO 2 in various PEG (1) + H 2 O (2) mixtures were obtained. Meanwhile, densities, viscosities, and surface tension of the binary system PEG (1) + H 2 O (2) were also measured over the whole concentration range at T = (298.15 to 323.15) K. From density and viscosity data, the excess molar volumes ( V m E ) and viscosity deviations (Δ η ) were calculated. Based on kinematic viscosity data, the enthalpy of activation for viscous flow (Δ H *) and entropy of activation (Δ S *) for the viscous flow were also obtained. Additionally, the important intermolecular interaction among PEG, H 2 O and SO 2 were investigated using UV-Vis, FTIR, and 1 H NMR spectroscopic techniques. Spectral results showed that the interaction between PEG and H 2 O resulted from hydrogen bonding , and the interaction of PEG with SO 2 resulted from both the O → S charge-transfer interaction and intermolecular hydrogen bonding.
研究领域:
化学
·
物理化学
·
光谱学
✓ 已验证
DOI
高影响因子
FOOD CHEMISTRY
·
2020
·
IF 6.306
Long Li,Ying Zhu,Feiyu Zhang,Hui Li,Jibran Iqbal,Ting Wu,Yiping Du
In this work, in-syringe membrane solid-phase extraction (MSPE) device was fabricated for the on-site sampling of sulfamethoxazole (SMX) in food samples followed by solid-phase fluorescence spectra analysis. The samples and fluorescamine (FA) were added to a syringe for derivation. Then, the derivative of SMX was extracted by a membrane in the syringe SPE device. Subsequently, the derivative on the membrane was measured immediately without additional elution procedure. The method was successfully applied in plasma, milk, and egg samples for the trace SMX detection, with the recovery of 98%–102%, RSDs from 1% to 6%. Compared with liquid chromatography, direct detection of the concentrated analyte significantly improved the sensitivity. Moreover, fluorescamine made it unnecessary to separate SMX from the interference. Consequently, it was a time-saving, low-cost, and easy-operation method, which demonstrated the potential of in-syringe SPE as a promising candidate for on-site analysis.
研究领域:
分析化学
·
食品安全
·
药物分析
✓ 已验证
DOI
高影响因子
Journal of Hazardous Materials Advances
·
2023
·
IF 0
Chunhu Tan,Tingting Zhang,Gongying Wang,Libin Zhang,Chang Liu,Weihua Li,Jiansheng Li,Rui Lu
Currently, despite the wide application of Ti 3 C 2 T x in various fields, little information is available regarding its toxicity to humans, thus, it is necessary to study its interactions with human proteins as well as its biotoxicity. In the study, spectroscopic analysis and molecular simulation were used to investigated the interaction mechanism between human serum albumin (HSA) and Ti 3 C 2 T x with different oxidation degrees. The three prepared Ti 3 C 2 T x materials with different oxidation degrees were analyzed by X-ray diffractometer, X-ray photoelectron spectroscopy, scanning electron microscope and transmission electron microscope, and the results demonstrated that TiO 2 nanoparticles were formed during the oxidation process. In conclusion, the results of the ultra violet spectrum, fluorescence spectra and zeta potential measurements showed that fully oxidized Ti 3 C 2 T x (F-Ti 3 C 2 T x ) had a greater binding ability to HSA than unoxidized Ti 3 C 2 T x (U-Ti 3 C 2 T x ), followed by partially oxidized Ti 3 C 2 T x (P-Ti 3 C 2 T x ). Based on synchronous fluorescence, circular dichroism and infrared characterization, it has been determined that with a gradual increase of Ti 3 C 2 T x oxidation degree, its effect on the conformation of HSA increases, followed by F-Ti 3 C 2 T x > P - Ti 3 C 2 T x > U - Ti 3 C 2 T x . Further analysis of the fluorescence binding ability revealed that hydrogen bonds played a major role in the interaction between HSA and Ti 3 C 2 T x .
研究领域:
生物化学
·
毒理学
·
材料科学
✓ 已验证
DOI
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
·
2013
·Vol. 432
·期 3
·1980-1988
·
IF 5.521
Rodler F.,Kürster M.,Barnes J. R.
With time series spectroscopic observations taken with the Near-Infrared Spectrometer (NIRSPEC) at Keck II, we investigated the atmosphere of the close orbiting transiting extrasolar giant planet, HD 189733b. In particular, we intended to measure the dense absorption line forest around 2.3 μm, which is produced by carbon monoxide (CO). CO is expected to be present in the planetary atmosphere, although no detection of this molecule has been claimed yet. To identify the best-suited data analysis method, we created artificial spectra of planetary atmospheres and analysed them by three approaches found in the literature, the deconvolution method, data modelling via χ2 minimization and cross-correlation. As a result, we found that cross-correlation and χ2 data modelling show systematically a higher sensitivity than the deconvolution method. We analysed the NIRSPEC data with cross-correlation and detect CO absorption in the day-side spectrum of HD 189733b at the known planetary radial velocity semi-amplitude with 3.4σ confidence.
研究领域:
天文学
·
行星科学
✓ 已验证
产品关联
DOI
高影响因子
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
·
2013
·Vol. 21
·期 3
·1786-1795
·
IF 2.618
Song Chao,Sun Xue-Fei,Xing Su-Fang,Xia Peng-Fei,Shi Yi-Jing,Wang Shu-Guang
The antibiotics have attracted global attentions for their impact on aquatic ecosystem. The knowledge about the fate of antibiotics encountering extracellular polymeric substances (EPS) is, however, limited. In this study, we investigated the interacting mechanisms of tetracycline (TC) to EPS extracted from aerobic activated sludge. The contributions of the main components of EPS, extracellular proteins, and polysaccharides were evaluated using bovine serum albumin and alginate sodium, respectively. Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and nuclear magnetic resonance indicated that hydroxyl, carboxyl, and amino groups were the domain chemical groups involved in the interaction between TC and EPS, and the binding of TC onto EPS changed the structure of these chemical groups, thus causing shifts in their UV–visible absorption spectra. In addition, we found that extracellular proteins, rather than polysaccharides, were the major active contents involved in the interaction. Three-dimensional excitation–emission matrix fluorescence spectroscopy showed that the fluorophores in EPS were clearly quenched by TC and the static quenching process was observed, implying the complex formation of TC and EPS. Furthermore, thermodynamic analysis indicated that the binding of TC with EPS is spontaneous and dominated by electrostatic forces.
研究领域:
环境科学
·
微生物学
·
光谱学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Environmental Science-Processes & Impacts
·
2025
·Vol. 27
·期 2
·453-462
·
IF 3.9
Situ Mu,Qi Yang,Chenxu Yan,Tong Xu,Jing Zhang,Junjun Ma,Chun Liu
Trivalent chromium (Cr3+) is a heavy metal widely present in tannery wastewater, and organic ligands represented by gallic acid (GA) have significant effects on the environmental behavior of Cr3+. This study explored the binding process of Cr3+ with GA through the integration of ultraviolet-visible (UV-vis), Fourier transform infrared (FTIR), and fluorescence spectroscopy coupled with two-dimensional correlation analyses (2DCOS). UV-vis results showed that the average molecular weight of the solutions gradually increased with the addition of Cr3+ ions. The vibration of FTIR characteristic peaks indicated that the hydroxyl and carboxyl functional groups of GA were complexed with Cr3+ ions. On the basis of the fluorescence quenching of GA after the addition of Cr3+ ions, the complexation coefficient was calculated as 4 × 104. 2DCOS and nuclear magnetic resonance (NMR) spectra demonstrated the binding sequence of GA with Cr3+ as meta-hydroxyl groups → carboxyl groups → para-hydroxyl groups, and heterospectral 2DCOS showed that the intensity change in UV-vis absorption bands occurred before that in IR absorption bands. Density functional theory (DFT) was used to quantify the binding energy of GA with Cr3+ at different binding sites, and it was shown that the binding energy of the meta-hydroxyl group was the lowest. Overall, this study provides a new approach to the analysis of the molecular structure of complexes and the binding process between organic ligands and metal ions in wastewater.
研究领域:
环境科学
·
化学
✓ 已验证
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）