CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
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2025
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IF 3.8
Zeyu Hou,Bingxin Yan,Yuhan Zhao,Shengbo Zhang,Bo Su,Kai Li,Cunlin Zhang
Artificial sweeteners, as a type of food additive, have vibration frequencies mostly concentrated in the terahertz (THz) band, which enables us to utilize THz technology to deeply analyze their molecular properties. To gain a more comprehensive understanding of the features of artificial sweeteners, this study specifically chose aspartame and acesulfame as representatives. Initially, we employed PXRD and Raman spectroscopy techniques to carry out a thorough examination and verification of the crystalline structure as well as the purity levels of these two synthetic sweeteners. Then, with the aid of Fourier transform infrared spectroscopy (FTIR) technology and terahertz time-domain spectroscopy (THz-TDS) system, the spectral characteristics of aspartame and acesulfame were precisely measured. Moreover, the crystal configurations of these two artificial sweeteners were simulated using solid-state density functional theory (DFT), and the simulation results were in good agreement with the experimental results, further validating the effectiveness of our research methods. Finally, using microfluidic chip technology, the THz spectral characteristics of aspartame and acesulfame in solution were determined, and were compared with their spectra in solid state. We found that the THz spectra of the two artificial sweeteners in solid and solution states have significant correlations. In addition, the research further elucidated that the THz spectrum of a substance dissolved in a solution exhibits a close correlation with its concentration within that solution. These findings provide new perspectives and value for our in-depth research on artificial sweeteners.
研究领域:
食品科学
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分子光谱学
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计算化学
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产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF PHARMACEUTICS
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2016
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IF 3.994
Chenguang Wang,Wei Xiong,Sathyanarayana Reddy Perumalla,Jianguo Fang,Changquan Calvin Sun
Dihydromyricetin (DMY) is a natural flavanol compound isolated from a traditional Chinese medicine , Ampelopsis grossedentata . Despite that optically pure (+)DMY is desired for treating chronic pharyngitis and alcohol use disorders, only DMY racemate is commercially available due to prolonged exposure time to high temperature and the presence of metal ions during industrial extraction, which cause racemization of the homochiral (+)DMY. We have developed an extraction method for successfully obtain optically pure (+)DMY. We have further assessed the physicochemical properties of the two phases using PXRD, DSC , TGA, FTIR, and moisture sorption. Among them, PXRD and FT-IR are suitable for quickly distinguishing homochiral (+)DMY from racemic (±)DMY. Lastly, with the aid of cocrystallization with theophylline , the absolute configuration of homochiral (+)DMY was identified to be (2R, 3R).
研究领域:
药学
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化学
✓ 已验证
DOI
PubMed
高影响因子
Brazilian Journal of Pharmaceutical Sciences
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2023
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IF 1.3
Yang Xintong,Chen Yang,Qiao Ning
In this study, we investigated the effects of polymers on the pharmaceutical cocrystal formation process. Ibuprofen (IBU) was selected as the active pharmaceutical ingredient (API), nicotinamide (NIC) and saccharin (SAC) as the cocrystal coformer (CCF), ethanol/water as the solvent, polyvinylpyrrolidone (PVP) and poly (ethylene glycol) (PEG) as the representative polymers. We prepared IBU-NIC and IBU-SAC cocrystals in ethanol-water cosolvent in the absence or presence of polymers. Cocrystal screening products were characterized by FTIR, DSC, PXRD, and HPLC. The results showed that the mixture of IBU and IBU-NIC cocrystal can be prepared in ethanol-water cosolvent without polymers. The addition of PVP facilitates the formation of pure IBU-NIC cocrystal; however, no cocrystal was formed in PEG solutions. SAC could not cocrystallize with IBU in the ethanol-water solvent in the absence of polymers. Neither PVP nor PEG could facilitate the formation of the IBU-SAC cocrystal.
研究领域:
药剂学
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材料科学
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化学
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产品关联
DOI
高影响因子
CRYSTENGCOMM
·
2024
·Vol. 26
·期 7
·943-950
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IF 2.6
Jinqiu Fu,Mengyang Cai,Yuzhong Shi,Yihang Hou,Rongxi Guo,Chiyi Wang,Jingjing Zhao,Wei Zhuang,Hanjie Ying,Pengpeng Yang,Keke Zhang
L-Alanyl-L-glutamine (Ala–Gln) is a dipeptide which is widely used in medical and nutritional fields. Two new crystalline forms (form III and form IV) and a DMSO solvate form (SDMSO) of Ala–Gln were discovered in this study, which were distinguished from the known forms by Raman spectroscopy and powder X-ray diffraction (PXRD). Single crystal structures of the three new solid forms were obtained. Moreover, the crystal structure data of known forms: form II, dihydrate form (2H) and ethanol solvate form (SEtOH), which have not been reported to the best of our knowledge, were solved. The results showed that there were four kinds of molecular arrangements and frameworks in the Ala–Gln solid forms. The comparison of the molecular arrangements and cell parameters indicated that the forms III, 2H and SEtOH were isomorphic. The hydrogen bonding network of the DMSO solvate was different from those of forms II, III and IV. By comparing the bulk density, lattice energy and thermal analysis results of the three polymorphs of Ala–Gln, the order of bulk density and lattice energy was consistent with the decomposition enthalpy. Besides that, it was found that the crystal shape of the solvates can be retained after solvent removal.
研究领域:
药学
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晶体学
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材料科学
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产品关联
DOI
高影响因子
FUEL
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2022
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IF 8.035
Chenxi Lu,Yuanzhuo Zhou,Liangzhi Li,Hongwei Chen,Lishi Yan
Catalytic production of 5-hydroxymethylfurfural (5-HMF) from glucose is a promising routine for generation of varied value-added chemicals. Herein, Mixed-Metal metal–organic frameworks (MOFs)–Fe/MIL-101(Cr) and MIL-101(Cr, Fe) obtained from post-synthesis modification and one-pot synthesis approach respectively were applied for catalytic converting glucose to 5-HMF. The synthesized Mixed-Metal MOFs were characterized by PXRD, SEM, N 2 adsorption–desorption analysis, TGA, XPS and NH 3 -TPD. Cr-and Fe-containing Mixed-Metal MOFs Fe/MIL-101(Cr) and MIL-101(Cr, Fe) presented synergistic effect with enhanced catalytic ability for glucose transformation to 5-HMF compared with typical single-metal MOFs and sulfonic acid-functionalized MOFs. Moreover, these two Mixed-Metal MOFs also presented better thermal stability than single-metal MOFs like MIL-101(Cr). Fe/MIL-101(Cr) was found to possess higher catalytic performance than MIL-101(Cr, Fe). 55.8 % 5-HMF yield was obtained with Fe/MIL-101(Cr) at 170 °C for 2 h in DMSO/water system. In addition, Fe/MIL-101(Cr) demonstrated desired recyclability for five times without incredible loss in its activity. This study provides a Mixed-Metal strategy on MOFs for improving catalytic efficiency of glucose conversion to 5-HMF.
研究领域:
化学工程
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材料科学
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催化
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产品关联
DOI
高影响因子
CHEMOSPHERE
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2021
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IF 7.086
Yanan Yang,Yu Zhang,Hong Zheng,Baichao Zhang,Qi Zuo,Kaiyue Fan
A key challenge in trace heavy metals removal from drinking water by adsorption technology is to achieve high adsorption capacity and rapid uptake speed of adsorbent. Herein, we report a functionalized double modified covalent organic framework (DMTD–COF–SH) bearing high-density sulfur and nitrogen chelating groups provided simultaneously by 2,5-dimercapto-1,3,4-thiadiazole (DMTD) and 1,2-ethanedithiol, which was prepared via a facile one-pot thiol-ene “click” reaction. PXRD , FTIR, XPS, SEM, BET and 13 C MAS NMR confirmed their successful graft, and DMTD was found to be more easily grafted on the COF surface layer than 1,2-ethanedithiol. The as-prepared DMTD–COF–SH showed remarkable adsorption capacity and ultrafast uptake dynamics to trace heavy metals owing to the synergistic effects resulting from densely populated sulfur and nitrogen chelating groups within ordered COF mesopores and at the COF surface. On the basis of the drinking water treatment units standard NSF/ANSI 53–2020, when the adsorbent dosage was 10 mg/30 mL and 20 mg L −1 calcium ions coexisted, the lead concentration decreased from initial 150 μg L −1 to 2.89 μg L −1 within 10 s, far below the allowable limit of world health organization (WHO) drinking water standard (10 μg L −1 ), and the maximum adsorption capacity meeting the standard attained 14.22 mg g −1 . The adsorbent also exhibited excellent stability, wide applicable pH range and outstanding adsorption performance for coexisting trace lead, mercury, cadmium, chromium (VI) and copper in tap water, indicating that the DMTD–COF–SH material has excellent application prospect for trace heavy metals removal from drinking water.
研究领域:
环境科学
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材料科学
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水处理
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化学工程
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DOI
高影响因子
CATALYSIS LETTERS
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2023
·
IF 2.8
Hao Runming,Du An,Zhu Qingling,Wu Xue,Liu Sijia,Wang Ke,Wang Yang
5-Hydroxymethylfurfural (HMF) is a high value-added platform compound, converted into bio-based polyesters and biofuels etc. In this paper, we used two commercially available hexamethylenimine and cetyltrimethylammonium bromide (CTAB) as the structure-directing agents to synthesize HMWW zeolite nanosheets via one step. A series of HMWW zeolite nanosheets with different disorder index ( DI ) were controllably prepared by adjusting the amount of CTAB, operating also as an in situ exfoliating agent, converting fructose into HMF in the tetrahydrofuran/NaCl-H 2 O biphasic solvent with low boiling point. Successful construction of disordered HMWW zeolite nanosheets was verified by PXRD. Further characterizations by BET, SEM and TEM etc. show that HMWW 4.0 with the optimum DI of 0.67 has a disordered network-like arrangement of layers with the external surface area of 224 m 2 /g and the mesoporous size of 3.5 nm. Catalytic evaluations showed that HMF selectivity was closely related to DI of the catalysts. Under the optimized DI , fructose molecules are readily accessible to acidic sites on the external surface while larger external surface area is exposed. The HMWW 4.0 zeolite catalyzed fructose dehydration in the biphasic solvent, producing 90% HMF selectivity with 93% fructose conversion at 140 °C for 6 h. In the reuses of the HMWW 4.0 catalyst, HMF selectivity was around 90% with fructose conversion decreasing by ca. 10% after six runs, indicating that it possesses the promising stability. Graphical Abstract
研究领域:
化学
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材料科学
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催化
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纳米技术
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生物化学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）