ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2020
·Vol. 412
·期 11
·2545-2550
·
IF 3.637
Yu Haili,Dong Faqin,Chen Jiahui,Li Bowen
Nitric oxide (NO) plays an important role in the generation of smog and ozone. Although great efforts have been made to determine NO by using o-phenylenediamine (OPD)-based fluorescent probes, more simple and reliable colorimetric assays for detection of NO are extremely scarce because a single OPD structure cannot produce enough optical absorption for chromogenesis. In this study, we report an innovative two-in-one visual colorimetric methodology. Commercially available 3,3′-diaminobenzidine (DAB) with two OPD structures in a single molecule is selected as the colorimetric probe, and it reacts with NO via diazo-coupling reaction to generate 1H,3’H-[5,5′]bibenzotriazolyl because of the increase of conjugated double bonds, accompanying a distinct color change from colorless to brownish yellow. This two-in-one colorimetric assay can determine NO at a concentration as low as 3 ppm by the naked eye and 40 ppb by UV-vis spectrometry, which is the lowest limit of detection (LOD) among reported colorimetric assays for NO. Moreover, the present two-in-one visual colorimetric assay also has good selectivity toward NO over other common potential gas interferents such as CO 2 , NO 2 , NH 3 , N 2 , O 2 , and SO 2 . This present study provides a new insight for the design and development of assays for NO.
Graphical abstract
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JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
·
2020
·Vol. 96
·期 1
·48-63
·
IF 2.75
Ling Li,Peng Hong,Anton A Kiss,Hui Tian,Xiaoda Wang,Ting Qiu
BACKGROUND 3-Methyl-3-penten-2-one (3M3P) is an indispensable raw material used for the synthesis of OTNE (octahydrotetramethyl acetophenone), a synthetic ketone fragrance known by commercial trade names, such as Iso E Super® , which is one of the most important ingredients in perfumes. This work is the first to unravel the reaction route and kinetics for the synthesis of 3M3P via the cross-aldol condensation of acetaldehyde with butanone, catalyzed by the heterogeneous acidic ion exchange resin (NKC-9). RESULTS An effective method was developed to evaluate this complex reaction system: the reaction routes were determined experimentally from the product structures detected by Gas Chromatography Mass Spectrometry (GC-MS), and the significance of side reactions were evaluated by the Yoneda group contribution method. The major side reactions are the self-condensation of acetaldehyde (significant even under optimized reaction conditions) and the cross-aldol condensation of acetaldehyde with 3M3P (which could be effectively suppressed at high butanone-acetaldehyde molar ratio). The reaction kinetics was investigated at temperatures of 60–90 °C, catalyst mass fraction of 5 to 15%, and molar ratio of 5–20. At optimized reaction conditions, the yield of 3M3P was up to 90.85%, which is 2.4 times higher than that for the classic homogeneous catalysts (yield <38%). CONCLUSION Acidic ion exchange resin NKC-9 is a high-selective green catalyst for the cross-aldol condensation of acetaldehyde with butanone. Integrating experimental determination and thermomechanical analysis is an effective method to unravel the main reaction routes for a complex system. © 2020 Society of Chemical Industry (SCI)
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Toxicology Research
·
2023
·Vol. 12
·期 6
·1135-1142
·
IF 2.1
Su Xiao,Wang Ruike,Wu Yingying,Yang Mingzhi,Ba Yue,Huang Hui
BackgroundAlthough exposure to individual metal does exhibit its toxicity, combined exposures provide a more effective representation of the toxic effects of different heavy metal exposures on public health as well as ecosystems. Furthermore, there are few studies on composite exposure to low concentrations of heavy metals, which is more consistent with real-life exposure. The purpose of this study was to explore the neurotoxicity induced by combined exposure to low concentrations of Lead (Pb) and cadmium (Cd) and the potential interaction of their mixture in vitro.MethodsPC12 cells were incubation with the corresponding concentration of cadmium chloride and/or lead acetate. Viability of PC12 cells was measured by CCK8 assay after 12, 24 and 48h incubation. Next, We measured the ROS, mitochondrial membrane potential (MMP) and apoptosis produced by different treated cells using ROS assay kit, JC-1 MMP assay kit and annexin V-FITC/propidium iodide (PI) apoptosis assay kit, respectively. Expression of proteins related to PI3K/AKT and endoplasmic reticulum (ER) stress in PC12 cells were tested by western blotting. Our study was the first to analyze the interaction between Pb and Cd using a 3 × 3 factorial design approach to observe neurotoxicity.ResultsThe results showed that the combined exposure of them was more cytotoxic than the single metal. The activation of PI3K/AKT signaling pathway and several parameters related to oxidative stress and ER stress were significantly altered in combined exposure to low concentrations of Pb and Cd compared with the Pb or Cd. Regarding apoptosis and ER stress, a synergistic interaction between Pb and Cd was evident. Moreover, evoked ER stress as a mechanism involved in the apoptosis of PC12 cells by the combined exposure to Pb and Cd.ConclusionThe present study provides a theoretical basis used for the toxicological assessment of metal mixtures induced neurotoxicity of concern in terms of public health, and more effective control measures should be taken for the environmental pollution caused by various mixed heavy metals discharged from industry and agriculture.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2016
·
IF 2.857
Yue Zhao,Yaqiong Zhang,Zhongfei Zhang,Jie Liu,Yi-Lin Wang,Boyan Gao,Yuge Niu,Xiangjun Sun,Liangli Yu
Formation of 3-monochloropropanediol (3-MCPD) esters from monostearoyl glycerol (MSG) was investigated under high temperature and low moisture conditions. Different organic and inorganic chlorides, including lindane, KCl, CaCl2, NaCl, MgCl2, AlCl3, CuCl2, MnCl2, SnCl2, ZnCl2, and FeCl3, were evaluated for their potential to react with MSG to form 3-MCPD and glycidyl esters at 120 and 240 °C using a UPLC-Q-TOF MS analysis. The results indicated that different chlorine compounds differed in their capacity to react with MSG and formed different products including 3-MCPD mono- and diesters, distearoylglycerol, and glycidyl esters. According to electron spin resonance (ESR) and Fourier transform infrared (FT-IR) spectroscopies, free radical mediated formation mechanisms involving either five-membered or six-membered cyclic acyloxonium free radicals (CAFR) from monoacylglycerol (MAG) were proposed. Tandem quadrupole-time-of-flight (Q-TOF) MS and MS/MS analyses confirmed the free radical mechanisms. In addition, the results from the present study showed that 3-MCPD monoester could be degraded upon thermal treatment and suggested a possible catalytic role of Fe3+ under the experimental conditions.
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DRUG METABOLISM AND DISPOSITION
·
2025
·
IF 4
Lanjing Li,Ru Huan,Ting Liang,Han Liu,Yao Dong,Shuang Chen,Chen Zhang,Chunshan Gui
Estradiol is the most potent and biologically active form of estrogen with glucuronide as its predominant conjugation form. Major estradiol glucuronides include estradiol-3-glucuronide (E 2 3G), estradiol-17β-glucuronide (E 2 17βG), and estradiol-3-sulfate-17β-glucuronide (E 2 3S17βG). Hepatic disposition of E 2 17βG involves basolateral uptake transporters organic anion transporting polypeptide (OATP) 1B1/1B3 and apical efflux transporters multidrug resistance-associated protein 2 (MRP2)/breast cancer resistance protein (BCRP). In addition, E 2 3G and E 2 3S17βG are substrates for MRP2/BCRP. However, whether E 2 3G and E 2 3S17βG across the basolateral membrane of hepatocytes are transporter-mediated and which transporters play the most significant roles are largely unknown. Therefore, in the present study we investigated the human hepatic uptake transporters for E 2 3G and E 2 3S17βG. Our results showed that E 2 3G and E 2 3S17βG are transported by human OATPs. Specifically, E 2 3G is a substrate for OATP1B1, 1B3, and 2B1, with K m values being of 16.0, 23.8, and 6.4 μM, respectively, and OATP2B1 possesses the highest transport efficiency. E 2 3S17βG is a substrate for OATP1B1 and 1B3, with K m values being of 0.5 and 23.7 μM, respectively, and OATP1B1 has a higher transport efficiency. At low concentrations, E 2 3G and E 2 3S17βG are selective substrates for OATP2B1 and OATP1B1, respectively. Furthermore, mutual and differential inhibition between E 2 3G/E 2 3S17βG and known OATP substrates/inhibitors has been observed. In summary, our results demonstrated that basolateral OATPs and apical MRP2/BCRP could constitute the hepatic vectorial transport of E 2 3G and E 2 3S17βG from the blood to the bile. Significance Statement This study demonstrated that OATP1B1/1B3/2B1 are hepatic uptake transporters for E 2 3G, and OATP1B1/1B3 are hepatic uptake transporters for E 2 3S17βG. At low concentrations, E 2 3G and E 2 3S17βG are selectively transported by OATP2B1 and OATP1B1, respectively. The findings in this study unveil the underlying molecular mechanisms for the hepatic disposition of estradiol glucuronides E 2 3G and E 2 3S17βG.
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STARCH-STARKE
·
2021
·
IF 2.741
Meidong Li,ZiMu Zhang,Ying Luo,Xiufang Huang,Kai Luo
Four new water-soluble polysaccharides has previously been isolated from Cardamine hupingshanensis . In this experiment, the structure of C. hupingshanensis polysaccharide NO. 3 (CHP-3) is analyzed and its in vitro anti-tumor activity is assessed. Through structural analysis, CHP-3 is found to have a molecular weight of 80.64 kDa, and be mainly composed of glucose, galactose, and L -arabinose; The backbone of CHP-3 is mainly composed of →5)-α-L-Araf-(1→ and →4)-α-D-Glc(p)-(1→), respectively. By studying its anti-tumor activity in vitro, it can be concluded that treatment with different concentrations of CHP-3 exerted diverse effects on A549 cells, with an obvious dose-dependent relationship. Moreover, after treatment with 12.8 mg mL −1 CHP-3, significant inhibitory effects are observed on the proliferation, migration, and invasion of A549 cells, indicating that it can be used as an anti-tumor agent for continued in-depth research.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
·
IF 2.4
Zhao Pengyu,Zhang Jijun,Liu Xiuwu,Wang Qi,Chen Xueqing,Liu Xinbo
Because reliable low-pressure vapor–liquid equilibrium
(VLE)
data for 3-buten-1-ol -containing systems are scarce and 3-buten-1-ol
exhibits strong heat sensitivity. Isobaric VLE data for the 3-buten-1-ol
+ n-butanol and 3-buten-1-ol + water systems were measured at pressures
ranging from 5 kPa to atmospheric pressure. The experimental data
were correlated using the NRTL activity coefficient model, which showed
satisfactory agreement with the measured results, with average root-mean-square
deviations below 0.15 K in temperature and 0.005 in vapor-phase composition.
The 3-buten-1-ol + n-butanol system does not form an azeotrope, and
its average relative volatility increases by 26% as the pressure decreases
from 101.5 to 5 kPa, indicating the potential benefit of vacuum distillation
for the separation of 3-buten-1-ol from n-butanol. The 3-buten-1-ol
+ water system forms an azeotrope, and the 3-buten-1-ol mole fraction
at the azeotropic composition decreases by 20% as the pressure decreases
from 99.5 to 5 kPa, suggesting that reduced-pressure operation may
facilitate 3-buten-1-ol dehydration. Residue curve maps of the 3-buten-1-ol
+ n-butanol + water system reveal two distillation regions. These
data provide thermodynamic information for 3-buten-1-ol separation
and purification.
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JOURNAL OF ALLOYS AND COMPOUNDS
·
2016
·
IF 3.014
Pengfei Wang,Lianyi Shao,Haoxiang Yu,Jinping Dong,Ting-Feng Yi,Shangshu Qian,Lei Yan,Peng Li,Miao Shui,Jie Shu
In this work, we propose a facile solid state reaction to prepare Li 3-x Na x V 2 (PO 4 ) 3 /C (0 ≤ x ≤ 3), which are rarely explored as possible cathode materials in sodium-ion batteries. Their phase composition, surface morphology and electrochemical property are described and compared in detail by using various physical/chemical methods. Seen from phase analysis results, it is known that Li 2.5 Na 0.5 V 2 (PO 4 ) 3 is a three-phase mixture (monoclinic Li 3 V 2 (PO 4 ) 3 , rhombohedral Li 3 V 2 (PO 4 ) 3 and rhombohedral Na 3 V 2 (PO 4 ) 3 ). In contrast, Li 2 NaV 2 (PO 4 ) 3 , Li 1.5 Na 1.5 V 2 (PO 4 ) 3 , LiNa 2 V 2 (PO 4 ) 3 and Li 0.5 Na 2.5 V 2 (PO 4 ) 3 are two-phase mixtures consisting of rhombohedral Na 3 V 2 (PO 4 ) 3 and rhombohedral Li 3 V 2 (PO 4 ) 3 . Evaluated as cathode materials in half-cells, Li 3-x Na x V 2 (PO 4 ) 3 /C (0 ≤ x ≤ 3) can deliver the initial reversible capacities of 94.3 mAh g −1 (x = 0.0), 103.6 mAh g −1 (x = 0.5), 115.1 mAh g −1 (x = 1.0), 112.7 mAh g −1 (x = 1.5), 99.6 mAh g −1 (x = 2.0), 94.0 mAh g −1 (x = 2.5) and 91.9 (x = 3.0) mAh g −1 , respectively. After 45 cycles, the reversible capacities of 88.9 mAh g −1 (x = 0.0), 88.2 mAh g −1 (x = 0.5), 80.6 mAh g −1 (x = 1.0), 99.6 mAh g −1 (x = 1.5), 87.2 mAh g −1 (x = 2.0), 72.7 mAh g −1 (x = 2.5) and 72.3 mAh g −1 (x = 3.0) can be still kept for these samples. The electrochemical results suggest that Li/Na co-existence in M 3 V 2 (PO 4 ) 3 /C may be beneficial to enhance the electrochemical performance . As a result, Li 1.5 Na 1.5 V 2 (PO 4 ) 3 /C shows the best sodium storage capability as cathode material in sodium-ion batteries.
研究领域:
材料科学
·
电化学
·
储能
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CHEMBIOCHEM
·
2021
·Vol. 23
·期 5
·e202100589
·
IF 3.164
Yunfeng Cui,Liangyan Zhu,Xi Chen,Jinhui Feng,Qiaqing Wu,Dunming Zhu
Graphical Rational engineering of the carbonyl reductase PhADH resulted in a double mutant H93C/A139L, which enhanced the enantioselectivity toward the reduction of 3-cyclopentyl-3-ketopropanenitrile 1 a from 85 % to 99 %, as well as a 6-fold improvement in the specific activity. ( S )-3-Cyclopentyl-3-hydroxypropanenitrile (( S )- 1 b ) was prepared at 200 g/L (1.5 M) substrate concentration. ( S )-3-Cyclopentyl-3-hydroxypropanenitrile is the key precursor for the synthesis of ruxolitinib. The bioreduction of 3-cyclopentyl-3-ketopropanenitrile ( 1 a ) offers an attractive method to access this important compound. A carbonyl reductase (PhADH) from Paraburkholderia hospita catalyzed the reduction of 1 a giving the ( S )-alcohol ( 1 b ) with 85 % ee. Rational engineering of PhADH resulted in a double mutant H93C/A139L, which enhanced the enantioselectivity from 85 % to >98 %, as well as a 6.3-fold improvement in the specific activity. The bioreduction of 1 a was performed at 200 g/L (1.5 M) substrate concentration, leading to isolation of ( S )- 1 b in 91 % yield. Similarly, using this mutant enzyme, 3-cyclohexyl-3-ketopropanenitrile ( 2 a ) and 3-phenyl-3-ketopropanenitrile ( 3 a ) were reduced at high concentration affording the corresponding alcohols in >99 % ee, and 90 % and 92 % yield, respectively. The results showed that the variant H93C/A139L was a powerful biocatalyst for reduction of β-substituted-β-ketonitriles.
研究领域:
生物化学
·
药物化学
·
合成生物学
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Pharmacogenomics & Personalized Medicine
·
2021
·
IF 3.912
Xikun Wu,Weichong Dong,Haoran Li,Xiuling Yang,Yiran Jin,Zhiqing Zhang,Ye Jiang
Purpose To perform therapeutic drug monitoring (TDM) of total and free plasma valproic acid (VPA) concentrations in pediatric patients with epilepsy and to analyze related factors.Patients and Methods Pediatric epileptic patients treated in 2015–2019 in our hospital were assessed. Total and free plasma VPA concentrations were obtained by UPLC and LC-MS/MS, respectively. Regression analysis was performed to examine the associations of free plasma VPA with total plasma VPA and plasma protein binding rate. The impacts of individual situation, CYP2C9 genotype, and drug combination on VPA concentration were examined.Results Of the 251 patients, 81 had lower total concentrations than effective therapeutic levels; 86 and 31 patients had infections and central nervous system dysplasia, respectively. VPA’s daily doses and free drug concentrations were significantly lower in the CYP2C9 *3/*3 genotype group versus the CYP2C9 *1/*3 and CYP2C9 *1/*1 groups (P<0.05). Free and total VPA concentrations were linked by Y = 0.0004 X2 + 0.042 X + 0.3035 (r=0.6981); VPA plasma protein binding rate and free VPA concentration were related by Y = 0.0003 X2 - 0.0127 X + 0.9777 (r=0.8136). Both total and free VPA concentrations were significantly decreased in patients simultaneously administered phenobarbital, meropenem and biapenem (P<0.05), with therapeutic failure after meropenem/biapenem co-administration.Conclusion Free VPA amounts have nonlinear relationships with total VPA amounts and plasma protein binding rate in epileptic children. Additionally, CYP2C9 *3/*3 expression affects VPA metabolism. Since phenobarbital affects VPA metabolism, TDM is recommended. Meanwhile, carbapenem-co-administration with VPA should be prohibited.
研究领域:
医学
·
药理学
·
遗传学
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Food Bioscience
·
2026
·
IF 6.2
Haomin Zhou,Zhangming Pei,Ning Wang,Zhifeng Fang,Wenbing Hu,Hongchao Wang,Wenwei Lu,Hao Zhang,Wei Chen
Atopic dermatitis (AD) is a chronic, recurrent inflammatory skin disorder of global significance. Long-term use of conventional treatments like topical corticosteroids is associated with adverse effects and a substantial economic burden. Building on prior work demonstrating that specific probiotic strains and a tailored dietary fiber combination ameliorate AD in mice by modulating gut microbiota-derived tryptophan metabolites via the gut-skin axis, but the precise bioactive indoles and their underlying mechanisms remain elusive. Here, we induced AD in mice using 2,4-dinitrofluorobenzene and administered five representative indole derivatives via intragastric gavage. Disease amelioration was assessed through ear swelling quantification, histopathological analysis, enumeration of infiltrated mast cells, and measurement of serum IgE and cytokines by ELISA. Only indole-3-acetaldehyde (IAId) and indole-3-lactic acid (ILA) markedly attenuated AD pathology, reducing ear swelling by over 30% alongside decreased skin thickness and mast cell infiltration. Immunomodulatory profiling revealed these metabolites downregulated IL-4, IL-13, and TSLP expression by 25%–40% and upregulated IFN-γ production by 50%, thereby restoring the Th1/Th2 immune balance. To dissect the mechanism, we employed an aryl hydrocarbon receptor (AhR) inhibitor in parallel experiments, which completely abrogated the protective effects of IAId and ILA, confirming strict dependency on AhR pathway activation. Collectively, our study identifies IAId and ILA as microbiota-derived tryptophan metabolites that regulate immune homeostasis via the gut-skin axis in a murine AD model. These findings provide experimental support for the potential of targeting these specific microbial metabolites, warranting further investigation into their therapeutic or nutritional applications for AD.
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NEW JOURNAL OF CHEMISTRY
·
2022
·Vol. 47
·期 3
·1256-1267
·
IF 3.925
Lei Yin,Hui Yang Li,Tingting Ge,Yuchao Li,Cuncun Zuo,Ming Wang,GuangJun Cui,Haofei Huang,Lin Guo
A series of acid–base-loaded γ-Al2O3 catalysts was applied as the catalysts for the isomerization of 3/4-methyl-tetrahydro phthalic anhydride. With a basic metal (K or Na) as the basic source and phosphorus (P) as the acid source, γ-Al2O3 was modified by equal volume immersion. NH3/CO2-TPD, XRD, TEM/EDS, BET, and TGA were used to analyze the catalysts, and 15%-K/Al2O3 and 10%-P/Al2O3 were determined as the most appropriate catalysts. The isomers were qualitatively and quantitatively analyzed using nuclear magnetic resonance (1H-NMR) and infrared spectroscopy (IR), and the reaction mechanism for the isomer formation was proposed. With 3-MTHPA as the substrate, the acid/base reaction temperature was 165/150 °C, the reaction time was 3 h and the amount of the catalyst added was 3%. A new type of continuous isomeric fixed-bed reactor was designed. The stability of the catalyst was tested, and the activity loss was 4.6–6.6% after 10 hours of operation.
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