CHEMISTRY OF MATERIALS
·
2024
·
IF 7.2
Huan Pei,Luyong Zhang,Huanhuan Cheng,Shibin Wang,Zhihua Yang,Fangfang Zhang,Shilie Pan
Four hydroxyfluorooxoborates, α-K2[B3O3F4(OH)] (I), β-K2[B3O3F4(OH)] (II), Cs(NH4)3[B3O3F4(OH)]2 (III), and RbCs5[B3O3F4(OH)]3 (IV), with identical fundamental building block (FBB) [B3O3F4(OH)]2–, were obtained successfully and characterized comprehensively. A phase transition between I and II was detected, which led to a space group evolution from centrosymmetric to noncentrosymmetric. The F– and OH– substitution effect was studied based on II and its hydroxyborate derivative K2[B3O3(OH)5], which reveals the corresponding changes in the band gap and the nonlinear optical properties. In addition, the cationic-size effect on the arrangement of the [B3O3F4(OH)]2– FBBs and the birefringent properties were discussed for the title compounds. This study contributes to the advancement of structural chemistry and sheds some light on the structure–property relationship studies of hydroxyfluorooxoborates.
研究领域:
材料化学
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晶体学
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产品关联
DOI
高影响因子
INORGANIC CHEMISTRY
·
2024
·
IF 4.3
Mengmeng Zhu,Junbo Wang,Lei Hou,Yiwen Yuan,Lili Liu,Yaoqing Chu,Chunmei Huang
The design and syntheses of new birefringent crystals will be of great importance in commercial applications and materials science. A series of ultraviolet (UV) birefringent crystals, AX·(H2SeO3)n (A = K, Cs; X = Cl, Br; n = 1, 2), with large sizes up to 23 × 6 × 3 mm3, was successfully synthesized by simple aqueous solution method. These four compounds belong to three different space groups. Isomorphic KCl·(H2SeO3)2 and CsCl·(H2SeO3)2 crystallize in the P1¯ space group, while CsBr·(H2SeO3)2 and CsCl·H2SeO3 crystallize in the P21/m and P21/c space groups, respectively. They exhibit cocrystal structures composed of [2(H2SeO3)]∞ and [AX]∞ frameworks, ingeniously inheriting the large optical anisotropy of selenite and the wide band gap of alkali metal halide. And it proves that these compounds indeed possess large birefringence (0.1–0.17 at 532 nm) and short UV cutoff edges (227–239 nm), achieving a balance of optical properties. This research affords a simple and viable strategy for the design and syntheses of new UV birefringent crystals. Besides, it is also found that the n value and ionic size (A and X ions) have important influences on the crystal structures and optical properties of AX·(H2SeO3)n. And this will promote further understanding of the alkali metal halide selenite family.
研究领域:
材料科学
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晶体工程
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光学材料
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无机化学
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DOI
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
·
2023
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IF 13.6
Chenguang Li,Yanlei Zhang,Shiqi Yin,Qin Wang,Yuanyuan Li,Qiang Liu,Liuqingqing Liu,Xianxiang Luo,Lingyun Chen,Hao Zheng,Fengmin Li
p -Phenylenediamines (PPDs), an important type of rubber antioxidants, have received little study on their environmental fate , particularly for their vital photodegradation process in water environment. Accordingly, N -(1,3-dimethylbutyl)- N′ -phenyl-1,4-phenylenediamine (6PPD), as a representative of PPDs, was investigated experimentally and theoretically for its photodegradation in water. Rapid photodegradation occurred when 6PPD was exposed to illumination especially UV region irradiation. Under acidic conditions, the photodegradation of 6PPD accelerated mainly due to the increased absorption of long wavelength irradiation by ionized 6PPD. Nine photodegradation products (e.g., 6PPD - quinone (6PPDQ)) of 6PPD were identified by an ultra-performance liquid chromatography QTOF mass spectrometry . Molar yields of photoproducts such as 6PPDQ, aniline, 4-aminodiphenylamine, and 4-hydroxydiphenylamine were 0.03 ± 0.00, 0.10 ± 0.01, 0.03 ± 0.02, and 0.08 ± 0.01, respectively. Mechanisms involved in 6PPD photodegradation include photoexcitation , direct photolysis, self-sensitized photodegradation, and 1 O 2 oxidation , as demonstrated by electron paramagnetic resonance (EPR) analysis, scavenging experiments, and the time-dependent density functional theory (TD-DFT). Notably, the toxicity of the reaction solution formed during the photodegradation of 6PPD was increased by the formation of highly toxic products (e.g., 6PPDQ). This study provides the first explanation for photodegradation mechanisms of 6PPD and confirms the pathway of 6PPDQ produced by the photoreaction in water environment.
研究领域:
环境科学
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化学
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毒理学
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产品关联
DOI
PubMed
高影响因子
Journal of Pharmaceutical Innovation
·
2025
·Vol. 20
·期 6
·1-17
·
IF 2.7
Lin Jinsheng,Wu Qilin,Liu Xueyang,Cao Renjian,Yong Qiyun,Li Dan,Chen Wenbin,Li Min,Shen Weiyang
Purpose This study intended to investigate two unknown impurity peaks (DP-1 and DP-2, at 0.29% and 0.20%, respectively) observed during the stability testing of brexpiprazole drug substance, which exceeded the unspecified impurity threshold (≤ 0.10%) and triggered an out-of-specification (OOS) investigation in a GMP environment. The objectives are to identify their structures, determine whether they are true impurities or artificial degradants, and establish appropriate control procedures for the pharmaceutical analysis of brexpiprazole. Methods The impurities were initially characterized using LC-UV/PDA high-resolution MS n ( n = 1 to 3), which identified DP-1 as an isomer of brexpiprazole and DP-2 as a dimer. Further structural elucidation of DP-1 was performed using semi-preparative HPLC and 1D/2D NMR spectroscopy. Forced degradation studies were conducted under photolytic conditions to confirm the formation of DP-1 and DP-2, with freshly prepared solutions kept in the dark as controls. Results DP-1 and DP-2 are both photo-degradants of brexpiprazole in solution. DP-1 is confirmed as an intramolecular [2 + 2] cycloaddition product of brexpiprazole, which is a novel and unreported impurity found in the product of brexpiprazole. DP-2 is identified as an intermolecular [2 + 2] cycloaddition product and consistent with a prior literature [ 1 ]. Both impurities formed only under light exposure and were absent in the light-protected samples, confirming their photodegradation origin rather than inherent impurities. Conclusion Both DP-1 and DP-2 are photo-induced degradants of brexpiprazole, rather than real impurities. These findings enhance understanding of brexpiprazole’s degradation chemistry and emphasize the need for light-protected sample preparation to prevent artifactual peaks in pharmaceutical analysis of brexpiprazole drug substance and its formulations.
研究领域:
药物化学
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分析化学
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药物稳定性
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杂质谱分析
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质谱分析
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核磁共振（NMR）
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产品关联
DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2024
·
IF 5.7
Tong Zhou,Meigui Huang,Heping Cui,Shahzad Hussain,Khizar Hayat,Xiaoming Zhang,Chi-Tang Ho
The formation pathway and mechanism of various pyrazines were investigated during the thermal treatment of the alanine-xylose Amadori compound (Ala-ARP) and exogenous alanine (Ala). 15N-labeled Ala was used to coheated with Ala-ARP to clarify the nitrogen sources and the respective contributions of exogenous Ala and the regenerated Ala released from Ala-ARP to different pyrazine formation. It was found that exogenous Ala exhibited a priority in capturing glyoxal (GO) to form pyrazine during the thermal degradation of ARP. Compared to the Ala-methylglyoxal (MGO) model, a lower activation energy was required for the Ala-GO reaction, where the reaction dynamics of Ala-GO followed a zero-order model. In addition to forming pyrazine, the interaction between existing exogenous Ala and GO would accelerate the thermal degradation of Ala-ARP and retro-aldolization reaction of deoxyxylosones (DXs) to α-dicarbonyls. During this process, the release of regenerated Ala and MGO was promoted. Accordingly, as GO was expended by exogenous Ala during the initial stage of ARP-Ala degradation, the condensation between regenerated Ala and MGO became intensified, leading to the generation of methylpyrazine and 2,5-dimethylpyrazine. As a result, in the thermally treated mixture of Ala-ARP and exogenous Ala, 55% of the formed pyrazine originated from exogenous Ala, while 63% of the formed methylpyrazine and 57% of the formed 2,5-dimethylpyrazine were derived from regenerated Ala (120 °C, 30 min).
研究领域:
食品科学
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化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2022
·
IF 5.895
Linhui Feng,Heping Cui,Pusen Chen,Khizar Hayat,Xiaoming Zhang,Chi-Tang Ho
An Amadori rearrangement product (ARP) derived from ribose (Rib) and glutathione (GSH) was prepared and identified as N-(1-deoxy-d-ribulos-1-yl)-glutathione by ultraperformance liquid chromatography–tandem mass spectrometry and NMR. Thermal treatment of the ARP aqueous solution was conducted, and a relatively high temperature was found to accelerate the degradation of the ARP. The concentration of furans formed at 120 °C was more than 6.39 times that at 100 °C, and especially, the high temperature favored the formation of furfural and 4-hydroxy-5-methyl-3(2H)-furanone through deoxyosone dehydration. The promoting role of extra-added GSH or its constituent amino acids was investigated in the volatile formation during thermal processing of the ARP. Both, the added GSH and its constituent amino acids, could timely capture glyoxal (GO) and methylglyoxal (MGO) to facilitate Strecker degradation, which improved pyrazine formation. Compared with glycine and glutamic acid, cysteine was the most effective extra-added amino acid to react with GO and MGO to produce pyrazine and methylpyrazine. More importantly, the cysteine degraded from extra-added GSH effectively accelerated the generation of sulfur-containing volatile compounds through the reaction of cysteine degradation products with furans and shorter-chain α-dicarbonyl compounds.
研究领域:
食品科学
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化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2023
·
IF 6.1
Tong Zhou,Xue Xia,Heping Cui,Khizar Hayat,Xiaoming Zhang,Chi-Tang Ho
The contribution of glutathione (GSH) and free amino acids degraded from GSH to the generation of pyrazines and 2,3-butanedione was illustrated during their interaction in the thermal treatment of the Amadori compound of alanine and xylose (ARP). GSH-degraded amino acids, glutamic acid (Glu), cysteine (Cys), and glycine (Gly), but not pyroglutamic acid (pGlu), could effectively capture α-dicarbonyls to facilitate the formation of pyrazines when ARP was heated with GSH. Deoxypentosones, the precursors of 2,3-butanedione, were largely consumed in the ARP–GSH model by the interaction with GSH and its degradative Cys compared with the ARP model. The addition of GSH and deoxypentosones inhibited the further degradation of deoxypentosones, resulting in less formation of 2,3-butanedione and other α-dicarbonyl compounds. Meanwhile, the reaction between GSH-degraded Cys and deoxypentosones to form sulfur-containing compounds such as thiols accelerated the consumption of deoxypentosones; thereby, the formation of 2,3-butanedione was severely interfered. However, this inhibition was compensated for by the GSH-degraded Gly through the addition between Gly and MGO and the subsequent deamination. The involvement of exogenous GSH could simultaneously boost the yields of 2,3-butanedione and pyrazines compared with those of ARP heated alone. As the degree of GSH degradation strengthened in the ARP-thermal-degraded GSH models, the yields of both pyrazines and 2,3-butanedione steadily increased.
研究领域:
食品科学
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生物化学
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产品关联
DOI
PubMed
高影响因子
E-POLYMERS
·
2021
·Vol. 21
·期 1
·590-605
·
IF 2.025
Li Zhao,Xianzhi Hu,Futing Zi,Yingmei Liu,Deqiong Hu,Peng Li,Huiling Cheng
In this study, a novel functional monomer N -(1-(2,4-difluorophenyl)-2-(1 H -1,2,4-triazol-1-yl)ethyl)acrylamide (NDTEA) was designed and synthesized, and was used to prepare Ni( ii ) ion-imprinted polymers (Ni( ii )-IIPs). Sixteen kinds of Ni( ii )-IIP (Ni( ii )-IIP 1–16 ) and corresponding non-imprinted polymers (NIP 1–16 ) were prepared by precipitation polymerization method. After optimized condition experiment, Ni( ii )-IIP 5 possessed maximum adsorption capacity and better imprinting factor under optimal experimental conditions which indicated by equilibrium adsorption experiments. The morphology and structural characteristics of Ni( ii )-IIP 5 were characterized by scanning electron microscopy (SEM) and Brunauer–Emmett–Teller (BET). The adsorption selectivity of Ni( ii )-IIP 5 was analyzed by ICP-OES, and the results showed that Ni( ii )-IIP 5 had favorable selectivity recognition ability for Ni( ii ) when Cu( ii ), Co( ii ), and Cd( ii ) are used as competitive ions. The kinetic experiment indicated that the performance of Ni( ii ) adsorption on the surface of Ni( ii )-IIP 5 obeyed the pseudo-first-order model, and adsorption equilibrium was attained after 15 min. Isothermal adsorption process fitted to Langmuir and Freundlich isothermal adsorption models, simultaneously. The results showed that Ni( ii )-IIP 5 prepared by using a new functional monomer had better permeation selectivity and higher affinity for Ni( ii ), which also verified the rationality of the functional monomer design. At the same time, it also provided a broad application prospect for removal of Ni( ii ) in complex samples.
研究领域:
高分子科学
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环境化学
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材料科学
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分析化学
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DOI
高影响因子
SENSORS AND ACTUATORS B-CHEMICAL
·
2023
·
IF 8.4
Shuai Liu,Hao Qu,Lili Yao,Yu Mao,Ling Yan,Baolei Dong,Lei Zheng
Rapid and accurate nitrite ions (NO 2 − ) detection is necessary to ensure food safety. Herein, a new portable method for detecting NO 2 − using hydrogel microspheres is proposed. Specifically, N-(1-naphthyl) ethylenediamine (NED) was immobilized on sodium alginate (SA) to obtain the SA-NED conjugate via covalent linking. The SA-NED microspheres were prepared in a Ca 2+ solution using an extrusion strategy based on the strong chelation between SA and Ca 2+ . The SA-NED microspheres exhibited superior adsorption capacity for NO 2 − , which agrees with the Langmuir isotherm model. Then, based on the Griess reaction , a microsphere-based colorimetric sensor was developed for rapid, quantitative, and on-site NO 2 − detection via a smartphone-based sensing platform. The entire detection procedure can be completed within 35 min. The microsphere-based sensor exhibited a detection limit of 0.02 μg mL –1 with recoveries ranging from 89.7% to 104.8% in different food samples. Moreover, the microsphere-based sensor showed good tolerance to the complex food matrix. Water and milk samples could be directly measured without pretreatment , and pickles and sausages only required simple homogenization before measurements. Our study provides an effective approach for rapid and on-site monitoring of NO 2 − .
研究领域:
食品科学
·
分析化学
·
传感器与执行器
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DOI
高影响因子
危险品化学品经营许可证（带存储）