INTERNATIONAL JOURNAL OF THERMOPHYSICS
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2021
·Vol. 42
·期 6
·1-24
·
IF 1.608
Liu Ping,Liu Zimin,Zhao Tianxiang,Liu Fei,Liao Quanlan
Densities and viscosities for the binary system of tetraethylene glycol (1) + water (2) at T = (298.15 to 323.15) K were measured as a function of composition under atmospheric pressure. The excess properties, including excess molar volumes ( \(V_{{\text{M}}}^{{\text{E}}}\) ), viscosity deviations (Δ η ), and the excess Gibbs free energy of activation for viscous flow (Δ G * E ) were calculated by using density and viscosity data, respectively. Excess properties indicated that there are hydrogen bonding interactions between tetraethylene glycol and water molecules, which are investigated in detail by FTIR and UV–Vis spectra.
研究领域:
物理化学
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光谱学
✓ 已验证
产品关联
DOI
高影响因子
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
·
2018
·Vol. 32
·期 17
·1521-1528
·
IF 1.97
Sheng-Kang Wang,Xian-Yong Wei,Sheng Li,Fang-Jing Liu,Yu-Gao Wang,Zhan-Ku Li,Chong Shi,Zheng Yang,Zhi-Min Zong
Rationale Coal oxidation produces carboxylic acids (CAs), including aliphatic acids, benzoic acids, and benzenepolycarboxylic acids, which are important fine chemicals which could be used to understand the structural features of coals. However, detecting CAs usually presents great challenges due to extremely troublesome pretreatments. Therefore, it is essential to develop an analytical method for the rapid detection of CAs from coal oxidation. Methods A series of model compounds (MCs) of oxidation products and two practical samples were investigated by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS) under three different analytical conditions (ionizing gas temperature, organic solvent, and MC concentration). Results Ionizing methyl benzoate, dimethyl phthalate, and dimethyl adipate produces typical ions of methyl esters, including [M − OCH 3 ] + , [M + H] + , and [M + NH 4 ] + . In contrast, the characteristic ions generated from CAs are polymer ions, such as [2 M + NH 4 ] + , [3 M + NH 4 ] + , [4 M + NH 4 ] + , and [5 M + NH 4 ] + , indicating the strong intermolecular hydrogen-bond interaction among CAs. Conclusions Results suggest that DART-TOFMS could rapidly analyze CAs or esters in coal oxidation products according to their typical ions to further gain deep insights into the coal structure.
研究领域:
分析化学
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能源化学
✓ 已验证
DOI
PubMed
高影响因子
MOLECULES
·
2022
·Vol. 27
·期 22
·7998
·
IF 4.927
Hui Zhang,Huahui Zeng,Mengfei Li,Yagang Song,Shuo Tian,Jing Xiong,Lan He,Yang Liu,Xiangxiang Wu
A series of co-crystals of ascorbic acid were prepared with equimolar amounts of co-crystal formers (CCFs), including isonicotinic acid, nicotinic acid, 3,4-dihydroxybenzoic acid, 2,5-dihydroxybenzoic acid and m-hydroxybenzoic acid, by slow solvent evaporation and solvent-assisted grinding. The co-crystals were characterized by single-crystal X-ray diffraction spectroscopy, powder X-ray diffraction, IR spectroscopy, differential scanning calorimetry and thermogravimetric analysis. Molecular dynamics (MD) simulations further validated the interaction energy and the possible intermolecular hydrogen bonds among VC and CCFs. The co-crystals showed improved stability when exposed to different wavelengths of light, pH and temperatures compared to the free analogue, especially at higher pH (~9) and lower temperature (~4 °C).Keywords:co-crystals;ascorbic acid;improved stability;hydrogen bonding
研究领域:
药物化学
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材料科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2025
·
IF 4.7
Wanting Guo,Christian Marcus Pedersen,Zhihui Liu,Wenbo Dong,Lingyu Jia,Shuwei Chen,Yingxiong Wang,Yan Qiao
Carbazole (CAR) and anthracene (AN) are high value compounds derived from coal tar, but their separation is challenging due to their structural similarity. Promising results, using deep eutectic solvents (DESs) for the separation, have recently been obtained. However, choosing the optimal DESs for the separation of CAR and AN is difficult due to a lack of knowledge about the interaction of DESs with CAR and AN. Herein, the interactions between CAR and AN with seven DESs containing ethylene glycol (EG) as the hydrogen bond donor (HBD) were investigated by nuclear magnetic resonance (NMR). The interaction between CAR and tetrabutylammonium chloride/ ethylene glycol (TBAC/EG) was investigated using various NMR methods such as chemical shift titration, variable temperature NMR (VT-NMR), relaxation time measurements and diffusion-ordered spectroscopy (DOSY). From the chemical shift differences of the N H proton of CAR, a strong interaction between CAR and the DES consisting of TBAC and EG, was revealed. TBAC/EG was therefore proposed as a promising solvent for the separation of CAR and AN. In addition, VT-NMR showed that the hydrogen bonding interaction between CAR and TBAC/EG increased with decreasing temperature. The changes in relaxation time (T 1 , T 2 ), molecular correlation time (τ c ) and the molecular self-diffusion coefficients (D) supported the existence of interactions between CAR and TBAC/EG, presumably dominated by hydrogen bonding between the N H and the chloride ion. This study introduces an efficient method for screening solvents to separating CAR and AN, and it can also be applied to other fields of separating complex mixtures.
研究领域:
化学
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分离科学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Saudi Chemical Society
·
2024
·
IF 5.8
Zhengjie Li,Miao Liu,Chunxia Fang,Huanshu Zhang,Tianyi Liu,Yixian Liu,Heli Tian,Jilong Han,Zhikun Zhang
The widespread use and subsequent accumulation of florfenicol (FFC), a common antibiotic, through the food chain poses significant risks to aquatic ecosystems and human health, necessitating effective strategies for its removal from water bodies. To solve the challenge, herein, we developed a novel aluminum-based metal–organic framework CAU-1, engineered for the efficient adsorption of FFC. CAU-1 contains the plentiful –NH 2 and μ-OH groups with the positively charged on the surface. In the adsorption process, CAU-1 perform hydrogen bonding interactions with FFC’s functional groups (−F, –OH, −Cl, –NH–, and −SO 2 –). Furthermore, the positively charged surface of CAU-1 enhances FFC adsorption via electrostatic attraction together. FFC adsorption equilibrium on CAU-1 is attained within 180 min with a monolayer adsorption capacity of 386 mg/g at 303 K, surpassing most of the reported adsorbents. The exothermic FFC adsorption process on CAU-1 remains largely unaffected by coexisting ions. Additionally, CAU-1 can be efficiently regenerated using a mixed solution of 0.1 M HCl and ethanol–water as an eluent. This work highlights CAU-1’s potential as an effective adsorbent for FFC removal, emphasizing the importance of tuning or designing surface functional groups on adsorbents to boost their adsorption capabilities.
研究领域:
环境科学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
EUROPEAN POLYMER JOURNAL
·
2025
·
IF 6.3
Ruiwen Jiao,Dandan Zhang,Wanting Zhu,Xingyuan Hu,Yidi Cai,Xiang Li,Qiukuan Wang,Dandan Ren,Long Wu,Hui Zhou
To solve the problem of poor selectivity of oligosaccharide separation, a new functionalized silica stationary phase, SPTM(THMA-co-MBAAm), was prepared with N-[tris(hydroxymethyl)methyl]acrylamide (THMA) and N,N-methylenebisacrylamide (MBAAm) containing hydroxyl groups as functional monomers. This stationary phase was used to do hydrogen bonding-based oligosaccharide compound separation. The stationary phase SPTM was successfully prepared, and the functional monomers were bonded onto an SiO 2 matrix. The separation of nucleobases and nucleosides on SPTM conformed to the multiple retention mechanism (i.e., a distribution mechanism supplemented by an adsorption mechanism). As a result of the hydrophilic hydroxyl groups on the outermost layer of the phase of stagnation, a layer rich in water was created. The bonds of hydrogen and electromagnetic attraction in addition to repulsion were additionally involved in retention. SPTM was applied to the separation of samples of alginate oligosaccharides with optimized mobile-phase conditions.
研究领域:
生物化学
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分离科学
✓ 已验证
产品关联
DOI
高影响因子
GREEN CHEMISTRY
·
2016
·Vol. 18
·期 23
·6246-6254
·
IF 8.506
Yan-Rong Liu,Kaj Thomsen,Yi Nie,Suo-Jiang Zhang,Anne S. Meyer
In this work, 357 ionic liquids (ILs) formed from 17 cations and 21 anions were selected for evaluation of their ability to dissolve cellulose by COSMO-RS. In order to evaluate the predictive model and method, experimental measurements of the solubility of microcrystalline cellulose (MCC) in 7 of these ILs were also conducted. Predicted results from logarithmic activity coefficients were generally in good agreement with the experimental results. Three different models were used for describing cellulose, and the mid-monomer part of the cellotriose model was found to be closer to the experimental results than a neat glucose model and the model of the mid-dimer part of cellotetraose. Excess enthalpy calculations indicated that hydrogen-bond (H-bond) interactions between cellulose (i.e. the three cellulose models) and the 7 studied ILs are key factors for the solubility of cellulose, and the anions play a crucial role in the cellulose dissolution process. Importantly, the cations of methylimidazolium+, pyridinium+, ethylmorpholinium+ and methylpyrrolidinium+ structured with functional groups including ethyl, allyl, 2-hydroxylethyl, 2-methoxyethyl and acryloyloxypropyl, combined with anions Ac−, Dec−, HCOO−, Cl−, BEN−, DMPO4−, DEP−, DBP− and Br− were predicted to be the best for dissolving cellulose.
研究领域:
化学工程
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材料科学
✓ 已验证
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
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2022
·
IF 16.744
Bingyan Han,Dan Li,Xiangshan Lei,Qingdong Liu,Yajun Chen,Qifang Yan,Jiao Wang,Gaohong He
Aggregation-induced emission (AIE) materials have received a lot of attention in recent years, however, it remains a great challenge to develop a facile method for the conversion of aggregation-caused quenching (ACQ) molecules to AIE. In this paper, the ACQ molecule, 3,5-diacetyl-1,4-dihydro-2,6-lutidine (DDL), is successfully transformed from face-to-face stacking to slip stacking under the induction of H 2 O, achieving the transformation of ACQ molecule to AIE. Experimental analysis and theoretical calculations show that H 2 O is inserted into DDL molecules through hydrogen bonds, and its spatial configuration makes an angle between the H 2 O and DDL planes, thus increasing the horizontal and vertical distances between adjacent DDL molecules, so that DDL is arranged in a slip stacking pattern. Meanwhile, hydrogen bonds fix the DDL molecules in a relatively rigid structure, leading to the generation of other weak interactions, which further restrict the molecular motion and reduce the non-radiative transitions, so that the DDL possesses the AIE property, and the quantum yield increases from 0.95 % to 25.60 %. Based on the high fluorescence intensity of DDL-H 2 O, it has been successfully applied to the first-, second- and tertiary-level structures of latent fingerprints (LFPs) identification, which provides more possibilities for the practical application of ACQ molecules.
研究领域:
化学
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材料科学
·
法医学
✓ 已验证
产品关联
DOI
高影响因子
APPLIED SURFACE SCIENCE
·
2020
·
IF 6.182
Yongyu Li,Jianjun Chen,Yaping Wang,Huiji Li,Jihong Yin,Mengyan Li,Ling Wang,Haijie Sun,Lingxia Chen
A one-step direct pyrolysis method without any post-treatment steps and a mass yield of up to 69% was realized for preparing N-doped carbon dots (NCDs). The NCDs exhibit excellent excitation-independent blue fluorescence with quantum yield (QY) of 65.5%, and their luminescence mechanism was explored based on optical properties and structural composition, which mainly originates from surface state photoluminescence (PL). The NCDs display highly selective and sensitive detection of Fe 3+ in tris-HCl buffer system, a good linear relationship between PL intensity ratios and Fe 3+ concentrations was obtained in concentration range of 0 to 400 μM with a low LOD of 0.703 μM. The formation of ferric hydroxide colloid is the main reason for the specific recognition of Fe 3+ by NCDs, and buffer solution plays a key role in the formation of ferric hydroxide colloid and selective detection of Fe 3+ . The sensing mechanism is a dynamic quenching electron transfer process in the action of hydrogen bonding and colloidal adsorption. Three real water samples were applied to evaluate actual application of NCDs probe, satisfactory recoveries (93.5%–105.6%) indicate that NCDs has great practical potential for detection of metal ions in environmental water assays.
研究领域:
材料科学
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分析化学
·
环境科学
✓ 已验证
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Dongmei Hao,Yanbin Sun,Dezhong Xie,Fuhao Chu,Weiguang Wang,Anran Zhou,Chen Chen,Yong Wang,Hongying Lü
The oxidation of 5-hydroxymethylfurfural (HMF) to produce high value-added 5-formyl-2-furancarboxylic acid (FFCA) represents a promising biomass conversion reaction that holds potential for biomass-based material for the drug synthesis and polyester industry. The present study presents a metal-free and alkali-free catalytic system consisting of N-hydroxyphthalimide (NHPI) as an organic molecule and a deep eutectic solvent (DES). This system was successfully employed for the aerobic oxidation process of HMF to FFCA, demonstrating exceptional catalytic activity with 100% conversion and 96% FFCA yield in the absence of any alkali. Multiple hydrogen bond interactions were found to be indispensable and play a crucial role in promoting the catalytic process. These H-bond interactions serve three essential purposes: facilitating the formation of deep eutectic solvents (DESs) between polyethylene glycol and tetrabutylammonium chloride, accelerating the dissolution and activation of HMF, and aiding in the generation of active free radicals for NHPI. This work demonstrated the predominant oxidation ability of the NHPI-DESs system for the oxidation of HMF to FFCA through hydrogen bond interaction, thereby offering invaluable insights into the aerobic oxidation processes involving hydrocarbons or alcohols.
研究领域:
有机化学
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生物质转化
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催化化学
✓ 已验证
产品关联
DOI
高影响因子
SENSORS AND ACTUATORS B-CHEMICAL
·
2012
·
IF 3.898
Haichao Su,Lijian Chen,Bing Sun,Shiyun Ai
This paper describes a novel fluorescence gold nanoparticles probe for detecting cyromazine . Gold nanoparticles (GNPs) were synthesized in one step at ambient temperature using gallic acid (GA) as reducer and stabilizer. Typically the prepared GNPs with the average diameter of ∼37 nm can emit stable fluorescence at 318 nm when the excitation wavelength was selected as 296 nm. Upon the addition of cyromazine, the reducer GA can interact with cyromazine through strong hydrogen-bonding interaction, which can interrupt the formation of gold nanoparticles. Consequently, the color change from purple to yellow-green with increasing cyromazine concentration was observed, coupling with the solution fluorescence intensity weaken at the same time. Because of the unconspicuous color change, we focus on detecting the change of the fluorescence intensity. Under the optimum conditions, the weakening of the fluorescence intensity exhibited a linear dependence on cyromazine concentration in range of 0.07–5.90 μM. The selectivity of cyromazine over other metal ions and pesticides in aqueous solution is remarkably high with a low detection limit of 0.07 μM. In the analysis of practical spiked milk and pet food samples, the new method yielded satisfactory results. This approach offers several advantages including simplicity (without temperature control and GNPs modification), speediness, high selectivity and sensitively, and a large linear range.
研究领域:
分析化学
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环境科学
·
食品科学
✓ 已验证
产品关联
DOI
高影响因子
POLYMER
·
2014
·
IF 3.766
Hai-Mu Ye,Yi-Ren Tang,Yun-Yang Song,Jun Xu,Bao-Hua Guo,Qiong Zhou
A series of random poly(hexamethylene succinate- co -hexamethylene fumarate) (PHSF) samples was synthesized through a two-step reaction process, and their properties were systematically studied using wide angle X-ray diffraction (WAXD), differential scanning calorimetry (DSC), and Fourier transform infrared spectroscopy (FTIR). The crystal modification of polyester changes from monoclinic to orthorhombic after substituting hexamethylene succinate (HS) units by hexamethylene fumarate (HF) units, and the chain conformation changes from all-trans to gauche. The copolyesters were found to be in a particular case as strict isomorphism in a limited composition range, adopting the same crystal modification when HF content ranged from 19 to 100 mol%. The melting point of the copolyester increases almost linearly with increasing molar content of HF, and the melting enthalpy hardly changes. Interestingly, FTIR results suggest that a special hydrogen-bonding interaction, in “C C–H···O C–C C” form, forms in the crystalline phase of PHSF and poly(hexamethylene fumarate) (PHF). The strong hydrogen-bonding interaction might be responsible for the transformation of conformation from all-trans to gauche in hexamethylene segments, and triggers the variation of crystal modification.
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）