JOURNAL OF MOLECULAR STRUCTURE
·
2013
·
IF 1.404
Yan Wang,Xihui Ge,Minqing Zhang,Huaigong Zhu,Zijian Zhang,Ming Wang
Growth characteristics of urea inclusion compounds with 1-decene, n-decane and mixture of 1-decene and n-decane (relative mass ratio = 1:1) were studied by CCD high-speed Camera. The present studies show that the speed of UICs growth in tunnel direction is faster than in vertical direction and the length of UICs with 1-decene is shorter than UICs with n-decane, and the length of UICs with mixture is between them due to the influence of the vinyl in 1-decene. The value of R = I (CH2)/ I (CH3) and M = I (CH CH2)/ I (CH3) in FTIR spectrum of UICs increasing with growth time demonstrates that urea prefers to include n-decane than 1-decene. 13 C CP/MAS NMR studies of UICs indicate that the arrangement of 1-decene in UICs is CH3⋯CH3 and CH CH2⋯CH2 CH. The arrangement of 1-decene in UICs leads to short chain of UICs with 1-decene in tunnel direction. The 13 C CP/MAS NMR spectra of UICs with MIX reveal that there are three different types of arrangement: CH3⋯CH3, CH CH2⋯CH3 and CH CH2⋯CH2 CH. The methods of FTIR and DSC were used to test the stability of UICs with different guests. The result shows that UICs with n-decane are stable than UICs with 1-decene. And the stability of UICs with mixture is in the middle.
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高影响因子
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
·
2025
·
IF 4.1
Junling Meng,Wan Huang,Meijing Lu,Jingxuan Cao,Na Xu,Lina Zhao
In recent years, the in-situ exsolution of metal nanoparticles from the anodic oxide framework through reduction treatment has emerged as an effective strategy to boost electrochemical performance by increasing active sites and facilitating charge transfer. However, this approach is primarily restricted to simple perovskite structures. The development of novel and more efficient oxide matrices for the controlled desorption of high-density metal catalysts remains a significant challenge. In this study, Ruddlesden-Popper (RP) type layered oxides Pr 2 NiO 4 and Pr 3 Ni 2 O 7 were innovatively employed as new primary matrices with the objective of achieving controllable exsolution of nickel metal nanoparticles by leveraging their unique layered architecture. X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analyses confirmed that following reduction treatment, Ni nanoparticles were successfully exsolved in situ from the oxide surface, with a notably higher density of Ni nanoparticles observed for Pr 3 Ni 2 O 7 . Electrochemical tests show that after 3 h of reduction at 850 °C, the cell with Pr 3 Ni 2 O 7 anode can achieve a peak power density of 969.7 mW cm −2 . Furthermore, when employed the studied compounds as anode materials, they showed negligible performance degradation after 100-h operation at 700 °C under 300 mA cm −2 current density. Furthermore, SEM characterization provided additional verification of the experimental results. This research not only underscores the considerable potential of RP phase oxides as high-performance SOFC anode materials but also offers new insights into future developments in SOFC anodes by adjusting RP phase sequences to regulate nanoparticle density effectively.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2023
·
IF 6.1
Tong Zhou,Xue Xia,Heping Cui,Yun Zhai,Foxin Zhang,Khizar Hayat,Xiaoming Zhang,Chi-Tang Ho
The influence of pH was studied on volatile flavor formation during thermal treatment of an Amadori rearrangement product (ARP) with or without the addition of cysteine (Cys). The formation of thiols and sulfides or 2-acetylthiazole and pyrazines induced by Cys during thermal degradation of ARP was pH-dependent. At low pH levels, the hydrolysis of Cys to hydrogen sulfide (H2S) was promoted, giving rise to the increase of thiols and sulfides with an obvious meaty aroma. However, alkaline conditions were beneficial for enhancing the cyclization or transformation of imine to the enol structure, which strengthened the formation of 2-acetylthiazole and pyrazines with a roasted and nutty aroma. The imine was derived from the nucleophilic addition of Cys and methylglyoxal (MGO) and subsequent decarboxylation. At pH 8, Cys-induced variation of the flavor profile was weakened during thermal degradation of ARP. Accordingly, the combinational effect of pH and added Cys could be beneficial for achieving the desirable flavors during thermal processing of ARP.
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PubMed
高影响因子
Frontiers in Nutrition
·
2022
·
IF 6.59
Wu Yue,Yang Jingjuan,Xu Chengmei,Li Qiuqi,Ma Yage,Zhao Shenglan,Zhuang Jiachen,Shen Fei,Wang Qianqian,Feng Fengqin,Zhang Xi
The sea cucumber peptides (SCPs) from Acaudina leucoprocta were derived from the patented bio-enzyme digestion technology and the molecular weight of obtained SCPs was <10 kDa. In this study, we investigated the possible anti-aging effects of SCPs on the model of Caenorhabditis elegans and the underlying mechanisms. SCPs extend the average lifespan of nematodes by 31.46%. SCPs enhance the anti-stress capacity of C. elegans by improving heat resistance and mobility, Also, the accumulated potential oxidative stress inducers like lipofuscin and reactive oxygen species (ROS) were reduced to 40.84 and 71.43%. In addition, SCPs can increase the antioxidant capacity in nematodes by enhancing the activity of SOD and CAT and reducing MDA accumulation in nematodes to 32.44%. Mechanistically, SCPs could mediate DAF-16/DAF-2/SOD-3/OLD-1/PEPT-1 axis to improve antioxidant capacity and extend lifespan in nematodes. Taken together, these findings provide a direction for the anti-aging effects of sea cucumber peptides and new insights into the further purifications of SCPs and future research on aging.
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高影响因子
Food Bioscience
·
2022
·
IF 5.318
Caixing Pan,Heping Cui,Khizar Hayat,Xiaoming Zhang,Chi-Tang Ho
This research elucidated the reason of flavor deficiency during the thermal degradation of glutamic acid (Glu)-galactose (Gal) Amadori rearrangement product (GG-ARP) and the solution. The flavor formation from GG-ARP during the thermal degradation was investigated. Compared to the volatile compounds in Glu-Gal Maillard reaction products (GG-MRP), pyrazines in the volatile compounds derived from GG-ARP were restrained. The disadvantage in evolution asynchrony and content sufficiency of α -dicarbonyl compounds and Glu in the GG-ARP model limited the pyrazines formation. With the addition of Gal, the asynchronous effect was further exacerbated, and the furans in the GG-ARP-Gal model (956.81 μg/L, 120 °C, 60 min) were more significantly dominant among the volatile flavor compounds than in the GG-ARP model (454.98 μg/L, 120 °C, 60 min), while the pyrazines were still missing. Whereas, the extra-added Glu in the GG-ARP model could offset the deficiency of amino acids growth after α -dicarbonyl formation and promote the formation of pyrazines (74.47 μg/L, 120 °C, 60 min). Meanwhile, the formation of diketones (92.96 μg/L, 120 °C, 60 min) was promoted. The addition of Glu enhanced both milk-like and baking flavor of the GG-ARP system simultaneously. Formulated GG-ARP-Glu mixture was proposed to promisingly achieve the controlled formation of process flavors for baked foods with both desirable milk-like and baking scent.
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高影响因子
Biomed Research International
·
2022
·
IF 3.246
Aparna Vasudevan,Dinesh Kumar Kesavan,Liang Wu,Zhaoliang Su,Shengjun Wang,Mohan Kumar Ramasamy,Waheeta Hopper,Huaxi Xu
Antibiotic resistance is one of the significant problems globally; there is an increase in resistance with introducing every new class of antibiotics. Further, this has become one of the reasons for arising of new resistance mechanisms in Acinetobacter baumannii. In this study, we have screened natural compounds as a possible inhibitor against the NDM-1 β-lactamase enzyme from A. baumannii using a combination of in silico methods and in vitro evaluation. The database of natural compounds was screened against NDM-1 protein, using Glide docking, followed by QM-polarised ligand docking (QPLD). When the screened hits were validated in vitro, withaferin A and mangiferin had good IC50 values in reducing the activity of NDM-1 enzymes, and their fractional inhibitory concentration index (FICI) was ascertained in combination with imipenem. The withaferin A and mangiferin-NDM-1 docking complexes were analyzed for structural stability by molecular dynamic simulation analysis using GROMACS for 100 ns. The molecular properties of the natural compounds were then calculated using density functional theory (DFT). Withaferin A and mangiferin showed promising inhibitory activity and can be a natural compound candidate inhibitor synergistically used along with carbapenems against NDM-1 producing A. baumannii.
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JOURNAL OF MOLECULAR STRUCTURE
·
2022
·
IF 3.841
Rui Chen,Qiuyue Li,Kai Xu,Zhiwei Zhang,Tianhua Wang,Jinkang Ma,Yan Xi,Lifeng Cao,Bing Teng,Haitao Wu
In this present work, a chalcone derivative 1-(4-Chlorophenyl)-3-(4-ethoxyphenyl)-prop-2-en-1-one is investigated using the density functional theory. PES scan is used to find the most stable conformational structure of the title compound. The geometrical parameters, FT-IR and FT-Raman spectra are performed by the DFT method with B3LYP/6-311+G basis set, which are very comparable with the experimental results. UV-Vis spectrum, frontier molecular orbitals, global reactivity descriptors, molecular electrostatic potential surface, NLO parameters and Mulliken charge in the gas phase, various polar and non-polar solvents are performed to reveal solvents effect. Further, it is found that the electronic properties show a good correlation with the polarity of solvents. Hirshfeld Surface analysis demonstrates H···H contact is dominant in the crystal packing. By means of molecular reactivity descriptors such as natural bond orbital analysis, Fukui function and dual descriptor analysis, the chemical reactivity is theoretically estimated. ELF and LOL are used to access the energy density of electrons. Molecular docking illustrates ECC may be a potential inhibitor for 6R3K protein.
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高影响因子
Cureus Journal of Medical Science
·
2024
·
IF 1
Ye-Ran Mao,Ling-Yi Zhu,Ruo-Fei Du,Xiao-Yu Liu,Zhidan Liu,Li Li
Background and objectives: In ancient China, bee venom was widely used to treat various diseases. Although using bee venom is not currently a mainstream medical method, some have applied it to treat certain conditions, including idiopathic facial paralysis (IFP). Recently, melittin (Mel), the main active component of bee venom, has been shown strong anti-inflammatory and analgesic effects. However, how bee venom improves neurological dysfunction in facial paralysis remains unknown. This study aimed to investigate the anti-neurotraumatic effect of Mel on Schwann cells (SCs), the main cells of the neuron sheath, injured by oxidative stress. Methods: A model of hypoxic SCs was established, and CCK-8 assay, siRNA transfection, enzyme-linked immunosorbent assay, quantitative reverse transcription-polymerase chain reaction, western blot, immunofluorescence, and cell ultrastructure analyses were conducted to investigate the mitigation of hypoxia-induced damage to SCs in vitro, revealing the effects of Mel on oxidative stress injury in SCs. Results: The overexpression of HIF-1α in CoCl 2 -induced SCs (p < 0.05) indicated the establishment of an SCs hypoxia model. The proliferation and regeneration process of the hypoxic SCs enhanced in the Mel-treated group compared to the CoCl 2 group has been proven through the CCK-8 experiment (p < 0.0001) and S-100 mRNA expression detection (p < 0.0001). The increased level of reactive oxygen species (ROS) (p < 0.001) and decreased superoxide dismutase (SOD) levels (p < 0.05) in the CoCl 2 -induced SCs indicated that Mel can alleviate the oxidative stress damage to SCs induced by CoCl 2 . Mel alleviated oxidative stress and inflammation in hypoxic SCs by reducing pro-inflammatory cytokines IL-1β (p < 0.0001) and TNF-α (p < 0.0001). In addition, Mel augmented cellular vitality and regulated indicators related to oxygen metabolism, cell repair, neurometabolism, and vascular endothelial formation after hypoxia, such as C-JUN (p < 0.05), glial cell line-derived neurotrophic factor (GDNF; p < 0.001), vascular endothelial growth factor (VEGF; p < 0.05), hypoxia-inducible factor 1-alpha (HIF-1α; p < 0.05), interleukin-1 receptor type 1 (IL-1R1; p < 0.05), enolase1 (ENO1; p < 0.05), aldose reductase (AR; p < 0.01), SOD (p < 0.05), nerve growth factor (NGF; p < 0.05), and inducible nitric oxide synthase (iNOS; p < 0.05). In terms of its mechanism, Mel inhibited the expression of proteins associated with the NF-κB pathway such as IKK (p < 0.01), p65 (p < 0.05), p60 (p < 0.001), IRAK1 (p < 0.05), and increased IKB-α (p < 0.0001). Moreover, knocking out of IL-1R1 in the si-IL-1R1 group enhanced the therapeutic effect of Mel compared to the Mel-treated group (all of which p < 0.05). Conclusion: This research provided evidence of the substantial involvement of IL-1R1 in oxidative stress damage caused by hypoxia in SCs and proved that Mel alleviated oxidative stress injury in SCs by targeting IL-1R1 to downregulate the NF-κB-mediated inflammatory response. Mel could potentially serve as an innovative therapeutic approach for the treatment of IFP.
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高影响因子
POLYHEDRON
·
2022
·
IF 2.975
Yan-Ling Deng,Wei Li,Chun-Yang Pan
Two new metal hybrid borates , Na[Ni(py) 2 ] 2 ·[(C 4 H 2 O 6 ) 2 B]·H 2 O (py = pyridine) ( 1 ) and [Cu(H 2 O) 2 (1-EI) 4 ]·[B 5 O 6 (OH) 4 ] 2 ·H 2 O (1-EI = 1-ethylimidazole) ( 2 ), have been successfully synthesized. 1 features an interesting structure based on mixed borate-tartrate motifs. Two tartrate anions are condensed with one BO 4 to form the hybrid anionic group [(C 4 H 2 O 6 ) 2 B] 5− . The structure of 2 is composed of [B 5 O 6 (OH) 4 ] − clusters and [Cu(H 2 O) 2 (1-EI) 4 ] 2+ complexes, which exhibits hydrogen-bonded network formed by [B 5 O 6 (OH) 4 ] − clusters. These compounds are further confirmed by FTIR, PXRD and UV–vis. In addition, the catalyst prepared from 2 shows excellent electrocatalytic oxygen reduction reaction (ORR) activity.
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Journal of Materials Chemistry A
·
2015
·Vol. 3
·期 46
·23149-23161
·
IF 7.443
Xiaopeng Xu,Kui Feng,Kai Li,Qiang Peng
A series of new two-dimensional copolymers, PBDTT-TABT, PBDTT-TANT and PBDTT-TSNT, with conjugated benzodiathiazole (BT) or naphthobisthiadiazole (NT) side chains were successfully synthesized and characterized for high performance polymer solar cells (PSCs). The NT unit showed a stronger electron-withdrawing ability and a larger conjugation than the BT unit, which induced a stronger ICT process between the benzodithiophene (BDT)-thiophene (T) backbone and the conjugated side chain for NT containing copolymers. As a result, PBDTT-TANT and PBDTT-TSNT showed lower-lying bandgaps and more red-shifted absorption than PBDTT-TABT. The alkylthio modification effect of conjugated side chains was also investigated in this work. This effect showed a positive role in lowering the HOMO energy level, and a negative role in elevating carrier mobility and molecular stacking properties in our two-dimensional polymeric systems. Bulk heterojunction (BHJ) PSCs were fabricated using these copolymers as the donor materials to evaluate their photovoltaic properties. The PBDTT-TABT, PBDTT-TANT and PBDTT-TSNT devices exhibited PCEs of 4.60%, 5.65% and 4.01%, respectively. In spite of the Voc values, the highest Jsc, FF and PCE were achieved for the PBDTT-TANT device, which was attributed to its red-shifted absorption, improved carrier mobility and well-defined phase separation. It is interesting that the Jscs, FFs and PCEs of all these devices were elevated significantly when made using the solvent vapor annealing (SVA) method. The THF–SVA process would provide a driving force to facilitate the formation of a much more well-defined surface morphology, resulting in the enhanced Jsc and FF values. The PBDTT-TANT device showed the highest PCE of 8.04%, which is the top efficiency for this type of two-dimensional copolymer with donor (D)–donor (D) polymer backbones and donor (D)–acceptor (A) conjugated side chains. Our design strategy would give an instructive guide to developing high performance two-dimensional polymer donors to be used in organic photovoltaic applications.
研究领域:
材料科学
·
有机光电子学
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高影响因子
RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
·
2023
·Vol. 59
·期 9
·1610-1619
·
IF 0.8
Dong Chang-E.,Li Rui,Pan Zai-Xiu,Li He,Qian Jing-Jing,Liu Wei-Wei,Cao Zhi-Ling,Shi Da-Hua
Abstract Fourteen 1,3,5-triazine–1,2,4-triazine hybrids were designed and synthesized. Their structures were confirmed by IR, NMR, and high-resolution mass spectra, as well as by single crystal X-ray diffraction. The cholinesterase inhibitory activities of the hybrids were assayed by Ellman’s method. Five of the fourteen hybrids inhibited acetylcholinesterase by more than 50% at a concentration of 50 μM. Only two hybrids inhibited butyrylcholinesterase by more than 50% at a concentration of 50 μM. Compound 5c possessed the best acetylcholinesterase and butyrylcholinesterase inhibitory activities with IC 50 of 6.80±0.14 μM and 1.91±0.12 μM, respectively. Molecular docking showed that compound 5c interacted with both catalytic active site and peripheral anionic site of acetylcholinesterase.
研究领域:
药理学
·
有机化学
·
神经科学
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Journal of Diabetes Investigation
·
2023
·Vol. 14
·期 3
·364-375
·
IF 3.2
Ji Chen,Peng Guo,Xinxin Liu,Huizhi Liao,Kemin Chen,Yuxia Wang,Jie Qin,Fengrui Yang
Introduction We tried to show the effect of sinomenine (SIN) in diabetic peripheral neuropathic pain (DPNP) and the related underlying mechanism. Methods Network pharmacological analysis and bioinformatics analysis were carried out for identification of the active ingredients of Sinomenium acutum and the related genes. The DPNP rat model was constructed and primary rat spinal cord microglial cells were isolated for in vitro cell experiments. The therapeutic role of SIN in DPNP was determined in vivo and in vitro through analysis of microglial cell activation and inflammatory response. Results Therapeutic role of S. acutum in DPNP was mainly achieved by regulating 14 key genes, among which the target gene prostaglandin-endoperoxide synthase 2 ( PTGS2 ) of SIN might be the key gene . An in vivo experiment showed that SIN inactivated the inositol-requiring enzyme 1 alpha–X-box binding protein 1 pathway by downregulating PTGS2 , which relieved pain symptoms in DPNP rats. It was confirmed in vivo that SIN inhibited the pathway through PTGS2 to alleviate the activation of spinal cord microglial cells and inflammatory response . Conclusion SIN decreases the expression of PTGS2 to inactivate the inositol-requiring enzyme 1 alpha–X-box binding protein 1 signaling pathway, which inhibits microglial activation, as well as the release of inflammatory factors, thus alleviating DPNP.
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高影响因子
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