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Studies on Functionally Substituted n5-Cyclopentadienyl Transition-Metal Compounds --Synthesis and Crystal Structure of η5-CH3COC5H4W(CO)3CH2C5H5
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作者 Song Licheng , Yang Hua and Hu Qingmei (Department of Chemistry, Nankai University, Tianjin)Zhou Zhongyuan (Chengdu Center of Analysis and. Determination, Academia Sinica, Chengdo) 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1990年第1期14-19,共6页
Reaction of benzyl chloride with η5-CH3COC5H4W(CO)2Na formed in situ from η6-CH3CO C6H4Na and W(CO)2 gives η6-CH3COC6H4W(CO)3CH2C5H5.The single crystal structure of the product was determined by X-ray diffraction m... Reaction of benzyl chloride with η5-CH3COC5H4W(CO)2Na formed in situ from η6-CH3CO C6H4Na and W(CO)2 gives η6-CH3COC6H4W(CO)3CH2C5H5.The single crystal structure of the product was determined by X-ray diffraction method. It crystallizes in the triclinlc space group P1 with unit cell parameters a= 10.199(5),b=12.116(7), c=14.207(6)A;a=69.47(5),β=72. 38(3),γ= 85.89(4);V= 1569. 9A3, Dc= 1.98 g/cm2; Z=4. Least-square refinement led to final R value of 0. 0539 and Rw value of 0. 0553, based on 3548 independent observed reflections. 展开更多
关键词 η5-Acetylcyclopentadienyl 6-Benzyl tungsten compounds Synthesis Crystal structure
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Comparative evaluation of commercial Douchi by different molds:biogenic amines,non-volatile and volatile compounds 被引量:1
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作者 Aijun Li Gang Yang +4 位作者 Zhirong Wang Shenglan Liao Muying Du Jun Song Jianquan Kan 《Food Science and Human Wellness》 SCIE CSCD 2024年第1期434-443,共10页
To provide new insights into the development and utilization of Douchi artificial starters,three common strains(Aspergillus oryzae,Mucor racemosus,and Rhizopus oligosporus)were used to study their influence on the fer... To provide new insights into the development and utilization of Douchi artificial starters,three common strains(Aspergillus oryzae,Mucor racemosus,and Rhizopus oligosporus)were used to study their influence on the fermentation of Douchi.The results showed that the biogenic amine contents of the three types of Douchi were all within the safe range and far lower than those of traditional fermented Douchi.Aspergillus-type Douchi produced more free amino acids than the other two types of Douchi,and its umami taste was more prominent in sensory evaluation(P<0.01),while Mucor-type and Rhizopus-type Douchi produced more esters and pyrazines,making the aroma,sauce,and Douchi flavor more abundant.According to the Pearson and PLS analyses results,sweetness was significantly negatively correlated with phenylalanine,cysteine,and acetic acid(P<0.05),bitterness was significantly negatively correlated with malic acid(P<0.05),the sour taste was significantly positively correlated with citric acid and most free amino acids(P<0.05),while astringency was significantly negatively correlated with glucose(P<0.001).Thirteen volatile compounds such as furfuryl alcohol,phenethyl alcohol,and benzaldehyde caused the flavor difference of three types of Douchi.This study provides theoretical basis for the selection of starting strains for commercial Douchi production. 展开更多
关键词 DOUCHI Starting strains Non-volatile compounds Volatile compounds Sensory evaluation
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Effect of different drying methods on the amino acids,α-dicarbonyls and volatile compounds of rape bee pollen 被引量:1
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作者 Yanxiang Bi Jiabao Ni +6 位作者 Xiaofeng Xue Zidan Zhou Wenli Tian Valérie Orsat Sha Yan Wenjun Peng Xiaoming Fang 《Food Science and Human Wellness》 SCIE CSCD 2024年第1期517-527,共11页
The significant demand for high quality food has motivated us to adopt appropriate processing methods to improve the food nutritional quality and flavors.In this study,the effects of five drying methods,namely,pulsed ... The significant demand for high quality food has motivated us to adopt appropriate processing methods to improve the food nutritional quality and flavors.In this study,the effects of five drying methods,namely,pulsed vacuum drying(PVD),freeze drying(FD),infrared drying(IRD),hot-air drying(HAD)and sun drying(SD)on free amino acids(FAAs),α-dicarbonyl compounds(α-DCs)and volatile compounds(VOCs)in rape bee pollen(RBP)were determined.The results showed that FD significantly released the essential amino acids(EAAs)compared with fresh samples while SD caused the highest loss.Glucosone was the dominantα-DCs in RBP and the highest loss was observed after PVD.Aldehydes were the dominant volatiles of RBP and SD samples contained more new volatile substances(especially aldehydes)than the other four drying methods.Comprehensively,FD and PVD would be potential methods to effectively reduce the quality deterioration of RBP in the drying process. 展开更多
关键词 DRYING Bee pollen Free amino acids α-Dicarbonyl compounds Volatile compounds
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Bioactive compounds in Hericium erinaceus and their biological properties:a review
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作者 Yue Qiu Genglan Lin +4 位作者 Weiming Liu Fuming Zhang Robert J.Linhardt Xingli Wang Anqiang Zhang 《Food Science and Human Wellness》 SCIE CAS CSCD 2024年第4期1825-1844,共20页
Hericium erinaceus is a nutritious edible and medicinal fungi,rich in a variety of functional active ingredients,with various physiological functions such as antioxidation,anticancer,and enhancing immunity.It is also ... Hericium erinaceus is a nutritious edible and medicinal fungi,rich in a variety of functional active ingredients,with various physiological functions such as antioxidation,anticancer,and enhancing immunity.It is also effective in protecting the digestive system and preventing neurodegenerative diseases.In this review paper,we summarize the sources,structures and efficacies of the main active components in H.erinaceus fruiting body,mycelium,and culture media,and update the latest research progress on their biological activities and the related molecular mechanisms.Based on this information,we provide detailed challenges in current research,industrialization and information on the active ingredients of H.erinaceus.Perspectives for future studies and new applications of H.erinaceus are proposed. 展开更多
关键词 Hericium erinaceus Bioactive compounds Biological activities ANTIOXIDATION NEUROPROTECTION IMMUNOREGULATION
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Density functional theory study of B- and Si-doped carbons and their adsorption interactions with sulfur compounds
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作者 Peng Guo Hong Zhang +1 位作者 Shuliang Dong Libao An 《Carbon Energy》 SCIE EI CAS CSCD 2024年第2期195-208,共14页
Understanding the adsorption interactions between carbon materials and sulfur compounds has far-reaching impacts,in addition to their well-known important role in energy storage and conversion,such as lithium-ion batt... Understanding the adsorption interactions between carbon materials and sulfur compounds has far-reaching impacts,in addition to their well-known important role in energy storage and conversion,such as lithium-ion batteries.In this paper,properties of intrinsic B or Si single-atom doped,and B-Si codoped graphene(GR)and graphdiyne(GDY)were investigated by using density functional theory-based calculations,in which the optimal doping configurations were explored for potential applications in adsorbing sulfur compounds.Results showed that both B or Si single-atom doping and B-Si codoping could substantially enhance the electron transport properties of GR and GDY,improving their surface activity.Notably,B and Si atoms displayed synergistic effects for the codoped configurations,where B-Si codoped GR/GDY exhibited much better performance in the adsorption of sulfurcontaining chemicals than single-atom doped systems.In addition,results demonstrated that,after B-Si codoping,the adsorption energy and charge transfer amounts of GDY with sulfur compounds were much larger than those of GR,indicating that B-Si codoped GDY might be a favorable material for more effectively interacting with sulfur reagents. 展开更多
关键词 ADSORPTION density functional theory DOPING graphdiyne GRAPHENE sulfur compounds
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Antidiabetic Properties of Bidens pilosa and Its Polyacetylenic Compounds for Management of Diabetes: Systematic Review
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作者 Kenneth Waititu Caroline Mugo +1 位作者 Daisy Nyawira Peter Mwethera 《Journal of Biosciences and Medicines》 2024年第2期164-179,共16页
Bidens pilosa is a member of the Asteraceae family that is widely distributed across the tropics. It has been utilized by different communities both as food and medicinal herb. This plant and its polyacetylenic compou... Bidens pilosa is a member of the Asteraceae family that is widely distributed across the tropics. It has been utilized by different communities both as food and medicinal herb. This plant and its polyacetylenic compounds hold potential as a natural antidiabetic intervention that can be used to combat this global public health problem. Bioactive compounds found in this plant constitute promising interventions for combating obesity which is a major risk factor for the development of type 2 diabetes. These phytocompounds can work independently or synergistically to modulate appetite, lipase activity, adipogenesis and adipocyte apoptosis. However, the efficacy, mode of action and scope of management of diabetes by these compounds remains elusive. The current review aims to summarize data on efficacy in the management of diabetes, an antidiabetic candidate polyacetylenic compound and possible biological activities as an antidiabetic agent from the available literature. Much emphasis has been directed to cytopiloyne as a representative of polyacetylenic compounds extracted from Bidens pilosa and its activity on diabetic animal models. The majority of the studies conducted on animal models described antidiabetic mechanisms that range from hypoglycemic to secretagogue activity of cytopiloyne in a dose-dependent manner. A clinical trial pilot indicated improved glycemic control of Bidens pilosa formulation among diabetic patients in the study. Bidens pilosa and its compounds are highly potent antidiabetic agent(s) that should be graduated to an intervention for management of diabetes through pre-clinical and clinical trials to elucidate its efficacy and safety. 展开更多
关键词 ANTIDIABETIC Cytopiloyne Bidens pilosa Polyacetylenic compounds
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Pulsed laser interference patterning of transition-metal carbides for stable alkaline water electrolysis kinetics
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作者 Yewon Oh Jayaraman Theerthagiri +3 位作者 Ahreum Min Cheol Joo Moon Yiseul Yu Myong Yong Choi 《Carbon Energy》 SCIE EI CAS CSCD 2024年第5期65-80,共16页
We investigated the role of metal atomization and solvent decomposition into reductive species and carbon clusters in the phase formation of transition-metal carbides(TMCs;namely,Co_(3)C,Fe_(3)C,TiC,and MoC)by pulsed ... We investigated the role of metal atomization and solvent decomposition into reductive species and carbon clusters in the phase formation of transition-metal carbides(TMCs;namely,Co_(3)C,Fe_(3)C,TiC,and MoC)by pulsed laser ablation of Co,Fe,Ti,and Mo metals in acetone.The interaction between carbon s-p-orbitals and metal d-orbitals causes a redistribution of valence structure through charge transfer,leading to the formation of surface defects as observed by X-ray photoelectron spectroscopy.These defects influence the evolved TMCs,making them effective for hydrogen and oxygen evolution reactions(HER and OER)in an alkaline medium.Co_(3)C with more oxygen affinity promoted CoO(OH)intermediates,and the electrochemical surface oxidation to Co_(3)O_(4)was captured via in situ/operando electrochemical Raman probes,increasing the number of active sites for OER activity.MoC with more d-vacancies exhibits strong hydrogen binding,promoting HER kinetics,whereas Fe_(3)C and TiC with more defect states to trap charge carriers may hinder both OER and HER activities.The results show that the assembled membrane-less electrolyzer with Co_(3)C∥Co_(3)C and MoC∥MoC electrodes requires~2.01 and 1.99 V,respectively,to deliver a 10 mA cm−2 with excellent electrochemical and structural stability.In addition,the ascertained pulsed laser synthesis mechanism and unit-cell packing relations will open up sustainable pathways for obtaining highly stable electrocatalysts for electrolyzers. 展开更多
关键词 ACETONE H_(2)and O_(2)evolution reactions pulsed laser ablation surface defects transition-metal carbides water electrolyzer
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Protective mechanism of quercetin compounds against acrylamide-induced hepatotoxicity
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作者 Linzi Li Xueying Lei +6 位作者 Lin Chen Ya Ma Jun Luo Xuebo Liu Xinglian Xu Guanghong Zhou Xianchao Feng 《Food Science and Human Wellness》 SCIE CSCD 2024年第1期225-240,共16页
Quercetin compounds have antioxidant,anti-inflammatory and anticancer pharmacological functions.Longterm exposure to acrylamide(AA)can cause liver injury and endanger human health.However,whether quercetin compounds c... Quercetin compounds have antioxidant,anti-inflammatory and anticancer pharmacological functions.Longterm exposure to acrylamide(AA)can cause liver injury and endanger human health.However,whether quercetin compounds can attenuate AA-induced liver injury and the specific mechanism are not clear.Here,we studied the mechanism and structure-activity relationship of quercetin compounds in reducing AA-induced hepatotoxicity in vivo and in vitro.In vivo studies found that quercetin-like compounds protect against AAinduced liver injury by reducing oxidative stress levels,activating the Akt/m TOR signaling pathway to attenuate autophagy,and improving mitochondrial apoptosis and endoplasmic reticulum stress-mediated apoptosis.In vitro studies found that quercetin compounds protected Hep G2 cells from AA by attenuating the activation of AA-induced autophagy,lowering reactive oxygen species(ROS)levels by exerting antioxidant effects and thus attenuating oxidative stress,increasing mitochondrial membrane potential(MMP),and improving apoptosis-related proteins,thus attenuating AA-induced apoptosis.Furthermore,the conformational differences between quercetin compounds correlated with their protective capacity against AA-induced hepatotoxicity,with quercetin showing the best protective capacity due to its strongest antioxidant activity.In conclusion,quercetin compounds can protect against AA-induced liver injury through multiple pathways of oxidative stress,autophagy and apoptosis,and their protective capacity correlates with antioxidant activity. 展开更多
关键词 Quercetin compounds ACRYLAMIDE Protection mechanism Oxidative stress Antioxidant activity
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Exploring Nutritional Compositions,Volatile Compounds,Health Benefits,Emerging Processing Technologies,and Potential Food Products of Glutinous Rice:A Review
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作者 Maimunah Mohd ALI Norhashila HASHIM 《Rice science》 SCIE CSCD 2024年第3期251-268,共18页
Glutinous rice(Oryza sativa var.glutinosa)stands out as one of the most popular rice varieties globally,amidst thousands of rice cultivars.Its increasing popularity is attributed to its rich nutritional compositions a... Glutinous rice(Oryza sativa var.glutinosa)stands out as one of the most popular rice varieties globally,amidst thousands of rice cultivars.Its increasing popularity is attributed to its rich nutritional compositions and health benefits.This review aims to summarize the nutritional compositions,volatile compounds,and health benefits of glutinous rice.Further,in-depth studies are necessary to explore the utilization of glutinous rice in enhancing processing technologies and developing new food products.Glutinous rice has been shown to possess numerous health benefits,including antioxidant activity,bioactive compounds,anti-cancer properties,anti-inflammatory effects,anti-diabetic potential,and cholesterol-lowering effects.Besides its nutritional compositions,the major volatile compounds identified in glutinous rice could serve as a functional food for human consumption.Emerging processing technologies related to glutinous rice are elaborated to improve the latest developments for incorporating them into various food products. 展开更多
关键词 glutinous rice health benefit volatile compound nutritional composition processing technology
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Identification of breath volatile organic compounds to distinguish pancreatic adenocarcinoma,pancreatic cystic neoplasm,and patients without pancreatic lesions
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作者 Kasenee Tiankanon Nuttanit Pungpipattrakul +2 位作者 Thanikan Sukaram Roongruedee Chaiteerakij Rungsun Rerknimitr 《World Journal of Gastrointestinal Oncology》 SCIE 2024年第3期894-906,共13页
BACKGROUND Volatile organic compounds(VOCs)are a promising potential biomarker that may be able to identify the presence of cancers.AIM To identify exhaled breath VOCs that distinguish pancreatic ductal adenocar-cinom... BACKGROUND Volatile organic compounds(VOCs)are a promising potential biomarker that may be able to identify the presence of cancers.AIM To identify exhaled breath VOCs that distinguish pancreatic ductal adenocar-cinoma(PDAC)from intraductal papillary mucinous neoplasm(IPMN)and healthy volunteers.METHODS We collected exhaled breath from histologically proven PDAC patients,radiological diagnosis IPMN,and healthy volunteers using the ReCIVA®device between 10/2021-11/2022.VOCs were identified by thermal desorption-gas chromatography/field-asymmetric ion mobility spectrometry and compared between groups.RESULTS A total of 156 participants(44%male,mean age 62.6±10.6)were enrolled(54 PDAC,42 IPMN,and 60 controls).Among the nine VOCs identified,two VOCs that showed differences between groups were dimethyl sulfide[0.73 vs 0.74 vs 0.94 arbitrary units(AU),respectively;P=0.008]and acetone dimers(3.95 vs 4.49 vs 5.19 AU,respectively;P<0.001).After adjusting for the imbalance parameters,PDAC showed higher dimethyl sulfide levels than the control and IPMN groups,with adjusted odds ratio(aOR)of 6.98(95%CI:1.15-42.17)and 4.56(1.03-20.20),respectively(P<0.05 both).Acetone dimer levels were also higher in PDAC compared to controls and IPMN(aOR:5.12(1.80-14.57)and aOR:3.35(1.47-7.63),respectively(P<0.05 both).Acetone dimer,but not dimethyl sulfide,performed better than CA19-9 in PDAC diagnosis(AUROC 0.910 vs 0.796).The AUROC of acetone dimer increased to 0.936 when combined with CA19-9,which was better than CA19-9 alone(P<0.05).CONCLUSION Dimethyl sulfide and acetone dimer are VOCs that potentially distinguish PDAC from IPMN and healthy participants.Additional prospective studies are required to validate these findings. 展开更多
关键词 Volatile organic compound PANCREAS ADENOCARCINOMA Pancreatic intraductal neoplasms Breathing
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Hollow ZIF-67-derived Co@N-doped carbon nanotubes boosting the hydrogenation of phenolic compounds to alcohols
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作者 Zhihao Guo Jiuxuan Zhang +3 位作者 Lanlan Chen Chaoqun Fan Hong Jiang Rizhi Chen 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第2期157-166,共10页
The selective hydrogenation of highly toxic phenolic compounds to generate alcohols with thermal stability,environmental friendliness,and non-toxicity is of great importance.Herein,a series of Co-based catalysts,named... The selective hydrogenation of highly toxic phenolic compounds to generate alcohols with thermal stability,environmental friendliness,and non-toxicity is of great importance.Herein,a series of Co-based catalysts,named Co@NCNTs,were designed and constructed by direct pyrolysis of hollow ZIF-67(HZIF-67)under H_(2)/Ar atmosphere.The evolution of the catalyst surface from the shell layer assembled by ZIF-67-derived particles to the in situ-grown hollow nitrogen-doped carbon nanotubes(NCNTs)with certain length and density is achieved by adjusting the pyrolysis atmosphere and temperature.Due to the synergistic effects of in situ-formed hollow NCNTs,well-dispersed Co nanoparticles,and intact carbon matrix,the as-prepared Co@NCNTs-0.10-450 catalyst exhibits superior catalytic performance in the hydrogenation of phenolic compounds to alcohols.The turnover frequency value of Co@NCNTs-0.10-450is 3.52 h^(-1),5.9 times higher than that of Co@NCNTs-0.40-450 and 4.5 times higher than that of Co@NCNTs-0.10-550,exceeding most previously reported non-noble metal catalysts.Our findings provide new insights into the development of non-precious metal,efficient,and cost-effective metal-organic framework-derived catalysts for the hydrogenation of phenolic compounds to alcohols. 展开更多
关键词 Phenolic compounds Hollow ZIF-67 pyrolysis Nitrogen-doped carbon nanotubes Reduction Multiphase reaction Catalysis
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Clinical characteristics and treatment compounds of obesity-related kidney injury
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作者 Tuo-Hua Mao Han-Qi Huang Chuan-Hai Zhang 《World Journal of Diabetes》 SCIE 2024年第6期1091-1110,共20页
Disorders in energy homeostasis can lead to various metabolic diseases,particularly obesity.The obesity epidemic has led to an increased incidence of obesityrelated nephropathy(ORN),a distinct entity characterized by ... Disorders in energy homeostasis can lead to various metabolic diseases,particularly obesity.The obesity epidemic has led to an increased incidence of obesityrelated nephropathy(ORN),a distinct entity characterized by proteinuria,glomerulomegaly,progressive glomerulosclerosis,and renal function decline.Obesity and its associated renal damage are common in clinical practice,and their incidence is increasing and attracting great attention.There is a great need to identify safe and effective therapeutic modalities,and therapeutics using chemical compounds and natural products are receiving increasing attention.However,the summary is lacking about the specific effects and mechanisms of action of compounds in the treatment of ORN.In this review,we summarize the important clinical features and compound treatment strategies for obesity and obesityinduced kidney injury.We also summarize the pathologic and clinical features of ORN as well as its pathogenesis and potential therapeutics targeting renal inflammation,oxidative stress,insulin resistance,fibrosis,kidney lipid accumulation,and dysregulated autophagy.In addition,detailed information on natural and synthetic compounds used for the treatment of obesity-related kidney disease is summarized.The synthesis of detailed information aims to contribute to a deeper understanding of the clinical treatment modalities for obesity-related kidney diseases,fostering the anticipation of novel insights in this domain. 展开更多
关键词 compounds OBESITY Kidney injury Obesity-related nephropathy Clinical features and treatment
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Role of methoxy and C_(α)-based substituents in electrochemical oxidation mechanisms and bond cleavage selectivity of β-O-4 lignin model compounds
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作者 Yang Zhou Qiang Zeng +3 位作者 Hongyan He Kejia Wu Fuqiao Liu Xuehui Li 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第1期114-125,共12页
In order to better understand the specific substituent effects on the electrochemical oxidation process of β-O-4 bond, a series of methoxyphenyl type β-O-4 dimer model compounds with different localized methoxyl gro... In order to better understand the specific substituent effects on the electrochemical oxidation process of β-O-4 bond, a series of methoxyphenyl type β-O-4 dimer model compounds with different localized methoxyl groups, including 2-(2-methoxyphenoxy)-1-phenylethanone, 2-(2-methoxyphenoxy)-1-phenylethanol, 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanone, 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanol, 2-(2,6-dimethoxyphenoxy)-1-(4-methoxyphenyl)ethanone, 2-(2,6-dimethoxyphenoxy)-1-(4-methoxyphenyl)ethanol have been selected and their electrochemical properties have been studied experimentally by cyclic voltammetry, and FT-IR spectroelectrochemistry. Combining with electrolysis products distribution analysis and density functional theory calculations, oxidation mechanisms of all six model dimers have been explored. In particular, a total effect from substituents of both para-methoxy(on the aryl ring closing to Cα) and Cα-OH on the oxidation mechanisms has been clearly observed, showing a significant selectivity on the Cα-Cβbond cleavage induced by electrochemical oxidations. 展开更多
关键词 Lignin model compounds β-O-4 dimers Electrochemical oxidation Oxidation mechanisms Substituent effect
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Qualitative analysis of aromatic compounds via 1D TOCSY techniques
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作者 Wenbo Dong Qi Zhao +3 位作者 Jiancheng Zhao Jiarong Zhang Yingxiong Wang Yan Qiao 《Magnetic Resonance Letters》 2024年第1期21-27,共7页
The aromatic compounds,including o-xylene,m-xylene,p-xylene,and ethylbenzene,primarily originate from the catalytic reforming of crude oil,and have a wide variety of applications.However,because of similar physical an... The aromatic compounds,including o-xylene,m-xylene,p-xylene,and ethylbenzene,primarily originate from the catalytic reforming of crude oil,and have a wide variety of applications.However,because of similar physical and chemical properties,these compounds are difficult to be identified by gas chromatography(GC)without standard samples.With the development of modern nuclear magnetic resonance(NMR)techniques,NMR has emerged as a powerful and efficient tool for the rapid analysis of complex and crude mixtures without purification.In this study,the parameters of one-dimensional(1D)total correlation spectroscopy(TOCSY)NMR techniques,including 1D selective gradient TOCSY and 1D chemicalshift-selective filtration(CSSF)with TOCSY,were optimized to obtain comprehensive molecular structure information.The results indicate that the overlapped signals in NMR spectra of nonpolar aromatic compounds(including o-xylene,m-xylene,p-xylene and ethylbenzene),polar aromatic compounds(benzyl alcohol,benzaldehyde,benzoic acid),and aromatic compounds with additional conjugated bonds(styrene)can be resolved in 1D TOCSY.More importantly,full molecular structures can be clearly distinguished by setting appropriate mixing time in 1D TOCSY.This approach simplifies the NMR spectra,provides structural information of entire molecules,and can be applied for the analysis of other structural isomers. 展开更多
关键词 1D TOCSY NMR technologies XYLENES Aromatic compounds Structure information of entire molecular Qualitative analysis
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The mechanism of Callistephus chinensis flavonoid compounds in the treatment of diabetes using network pharmacology and molecular docking
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作者 Mingyuan Yuan Xiaoli Wang +1 位作者 Ziqi Sun Xiaoshu Zhang 《Journal of Polyphenols》 2024年第1期11-19,共9页
The purpose of this project is used for exploring the mechanism of Callistephus chinensis in the treatment of diabetes by network pharmacology and molecular docking methods.The target of Callistephus chinensis was obt... The purpose of this project is used for exploring the mechanism of Callistephus chinensis in the treatment of diabetes by network pharmacology and molecular docking methods.The target of Callistephus chinensis was obtained from SwissTargetPrediction database,while the target related to diabetes was obtained from GeneCards and OMIM databases.The target was added in String database to build the protein interaction network.GO biological process enrichment analysis and KEGG pathway enrichment analysis were carried out by Metascape software,then the target-pathway network was constructed.Molecular docking was carried out in Discovery Studio 2016 Client software to verify the binding force of Callistephus chinensis flavonoid compounds with key targets.In this study,10 potential active components were selected from the flavonoid monomer compounds of Callistephus chinensis.1847 biological processes(BP),126 cell compositions(CC)and 256 molecular functions(MF)were obtained by GO enrichment analysis;a total of 194 pathways were involved in KEGG enrichment analysis of 192 cross targets.Network analysis showed that quercetin was the main active component of flavonoids in the treatment of diabetes,AKT1,TNF,VEGFA,EGFR,SRC and other related signals were in relation to the treatment of diabetes.This study showed that Callistephus chinensis flavonoid compounds play a role in the treatment of diabetes by regulating multi-target and multi-pathway. 展开更多
关键词 Callistephus chinensis flavonoid compounds DIABETES network pharmacology molecular docking
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Mechanism of action of Balanophora involucrata polyphenolic compounds in the treatment of myocardial injury based on network pharmacology and molecular docking techniques
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作者 Shipeng Duan Ting Gao +4 位作者 Feifei Li Xuehan Li Haojun Shen Fang Wang Xiaoshu Zhang 《Journal of Polyphenols》 2024年第2期45-55,共11页
The objective of this work was to investigate the mechanism of action of Balanophora involucrata polyphenolic compounds in the treatment of myocardial injury.In the present study,Balanophora involucrata was extracted ... The objective of this work was to investigate the mechanism of action of Balanophora involucrata polyphenolic compounds in the treatment of myocardial injury.In the present study,Balanophora involucrata was extracted by refluxing 75%of ethanol.The obtained extract was extracted with petroleum ether,ethyl acetate and n-butanol respectively.And the ethyl acetate layer was separated.The extract was prepared by silica gel column chromatography,sephadex LH-20 elution and thin layer chromatography.After that,the Swiss target prediction database was utilized to obtain the targets of Balanophora involucrata,and the Genecards,OMIM and TTD databases were used to predict and screen the targets of Balanophora involucrata for the treatment of myocardial injury.The active ingredient-target network was constructed using Cytoscape software,and the PPI network was mapped using String database and Cytoscape software.GO bioprocess enrichment analysis and KEGG pathway enrichment analysis were performed by Metascape software to predict the mechanism of action.Molecular docking was performed in Discovery Studio 2016 client software to verify the binding of Balanophora involucrata polyphenols to key targets.In this study,six polyphenolic compounds were isolated from Balanophora involucrata.By GO enrichment analysis,1614 biological processes(BP),127 cellular compositions(CC),and 215 molecular functions(MF)were obtained;a total of 155 cross-targets were involved in the KEGG enrichment analysis.The PPI network showed that quercetin was the main active component of polyphenolic compounds against myocardial injury and that AKT1,EGFR,STAT3,SRC,ESR1,MMP9,HSP90AA1 and other related signals were associated with myocardial injury treatment.Finally,the multi-component-multi-target-multi-pathway action of Balanophora involucrata was concluded,which provided new ideas and methods for further research on the mechanism of action of Balanophora involucrata in myocardial injury. 展开更多
关键词 Balanophora involucrata myocardial injury phenolic compounds network pharmacology molecular docking
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Predicting bioactive compounds and cancer-related molecular targets of lotus seedpod (Receptaculum Nelumbinis) based on network pharmacology and molecular docking
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作者 Jian-Lin Shen Meng-Tong Zhang +8 位作者 Fei Li Jia-Yu Huang Quan-Sheng Xu Han-Yue Zhang Jun Zhang Jing Li Yan-Ping Li Qi Zou Xiao-Yin Wang 《Food and Health》 2024年第2期14-41,共28页
Background:Lotus seedpod(Receptaculum Nelumbinis)is the abundant by-products produced during lotus seed processing,and the sources are usually considered to be wastes and are abandoned outdoors or incinerated.This stu... Background:Lotus seedpod(Receptaculum Nelumbinis)is the abundant by-products produced during lotus seed processing,and the sources are usually considered to be wastes and are abandoned outdoors or incinerated.This study aims at predicting its bioactive compounds and cancer-related molecular targets against six cancers,including lung cancer,gastric cancer,liver cancer,breast cancer,ovarian cancer and cervical cancer.Methods:Network pharmacology and molecular docking methods were performed.Results:Network pharmacology results indicated that 14 core compounds(liensinine,tetrandrine,lysicamine,tricin,sanleng acid,cireneol G,ricinoleic acid,linolenic acid,5,7-dihydroxycoumarin,apigenin,luteolin,morin,quercetin and isorhamnetin)and 10 core targets(AKT1,ESR1,HSP90AA1,JUN,MAPK1,MAPK3,PIK3CA,PIK3R1,SRC and STAT3)were screened for lotus seedpod against the six cancers.Molecular docking analysis suggested that the binding abilities between the core compounds and the core targets were mostly strong.GO analysis revealed that the intersected targets between the bioactive compounds of lotus seedpod and the six cancers were significantly related to biological processes,cell compositions and molecular functions.KEGG analysis showed that PI3K-Akt,TNF,Ras,MAPK,HIF-1 and C-type lectin receptor signaling pathways were notably involved in the anti-cancer activities of lotus seedpod against the six cancers.Conclusions:14 core compounds and 10 core targets were screened for lotus seedpod against lung cancer,gastric cancer,liver cancer,breast cancer,ovarian cancer and cervical cancer.This study supports the application of lotus seedpod in treating cancers,and promotes the recycling and the high-value utilization. 展开更多
关键词 Lotus seedpod ANTI-CANCER Bioactive compounds Molecular targets Network pharmacology Molecular docking.
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Characterization of the key aroma compounds in four varieties of pomegranate juice by gas chromatography-mass spectrometry(GC-MS),gas chromatography-olfactometry(GC-O),odor activity value(OAV),aroma recombination,and omission tests 被引量:4
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作者 Cong Lu Yuyu Zhang +2 位作者 Ping Zhan Peng Wang Honglei Tian 《Food Science and Human Wellness》 SCIE CSCD 2023年第1期151-160,共10页
P omegranate(Punica granatum L.)has attracted considerable attention in world markets due to its valuable nutrients and highly appreciated sensory properties.The aroma profiles of 4 varieties of pomegranate juice,incl... P omegranate(Punica granatum L.)has attracted considerable attention in world markets due to its valuable nutrients and highly appreciated sensory properties.The aroma profiles of 4 varieties of pomegranate juice,including Dahongtian(DP),Jingpitian(JP),Luyudan(LP),and Tianhonngdan(TP),were investigated via gas chromatography-mass spectrometry(GC-MS)and gas chromatography-olfactometry(GC-O)analyses.A total of 43 volatile compounds were identified by using GC-MS.Among these compounds,16 were considered as potential aroma-active compounds as detected by GC-O.These compounds belonged to the classes of terpinenes,alcohols,and aldehydes.Eleven volatile compounds were defined as the main contributors to the overall aroma of pomegranate juice due to their high odor activity values(OAVs≥1).Aroma recombination and omission tests confirmed thatβ-myrcene,1-hexanol,and(Z)-3-hexen-1-ol were the key aroma compounds,and limonene,1-octen-3-ol,linalool,and hexanal were important aroma-active compounds in DP samples. 展开更多
关键词 Pomegranate juice Aroma-active compounds GC-MS GC-O Odor active value(OAV) Omission tests
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Correlation between dominant bacterial community and non-volatile organic compounds during the fermentation of shrimp sauces 被引量:2
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作者 Ruichang Gao Huijie Liu +3 位作者 Ying Li Hongying Liu Yue Zhou Li Yuan 《Food Science and Human Wellness》 SCIE CSCD 2023年第1期233-241,共9页
Shrimp sauce,one of the traditional salt-fermented food in China,has a unique flavor that is influenced by the resident microflora.The quality of salt-fermented shrimp sauce was evaluated in this work by determining t... Shrimp sauce,one of the traditional salt-fermented food in China,has a unique flavor that is influenced by the resident microflora.The quality of salt-fermented shrimp sauce was evaluated in this work by determining the total volatile basic nitrogen(TVB-N),the amino acid nitrogen(AAN),organic acid,5’-nucleotide and free amino acids(FAA).Moreover,the dynamics of microbial diversity during processing was investigated by using high-throughput sequencing technology.The results showed that the AAN,TVB-N,organic acid,5’-nucleotide and FAA content were in range of 0.93-1.42 g/100 mL,49.91-236.27 mg/100 mL,6.65-20.68 mg/mL,3.51-6.56 mg/mL and 81.27-102.90 mg/mL.Among the microbial diversity found in the shrimp sauce,Tetragenococcus,Flavobacterium,Polaribacter,Haematospirillum and Staphylococcus were the predominant genera.Correlation analysis indicated that the bacteria Tetragenococcus and Staphylococcus were important in the formation of non-volatile compounds.Tetragenococcus positively correlated with a variety of FAAs;Staphylococcus positively correlated with 5’-nucleotides.The analysis indicated that Tetragenococcus and Staphylococcus were the core genera affecting non-volatile components.These findings indicate the dynamics of the bacterial community and non-volatile components inter-relationships during shrimp sauce fermentation and provide a theoretical basis for improving the fermentation process of shrimp sauce. 展开更多
关键词 Shrimp sauces Non-volatile compounds Bacterial community Electronic tongue Correlation analysis
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Deciphering the Origin of Abiotic Organic Compounds on Earth:Review and Future Prospects 被引量:1
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作者 WANG Chao TAO Renbiao +3 位作者 Jesse B.WALTERS REN Tianshi NAN Jingbo ZHANG Lifei 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2023年第1期288-308,共21页
The geologic production of abiotic organic compounds has been the subject of increasing scientific attention due to their use in the global carbon flux balance,by chemosynthetic biological communities,and for energy r... The geologic production of abiotic organic compounds has been the subject of increasing scientific attention due to their use in the global carbon flux balance,by chemosynthetic biological communities,and for energy resources.Extensive analysis of methane(CH_(4))and other organics in diverse geologic settings,combined with thermodynamic modelings and laboratory simulations,have yielded insights into the distribution of specific abiotic organic molecules on Earth and the favorable conditions and pathways under which they form.This updated and comprehensive review summarizes published results of petrological,thermodynamic,and experimental investigations of possible pathways for the formation of particular species of abiotic simple hydrocarbon molecules such as CH_(4),and of complex hydrocarbon systems,e.g.,long-chain hydrocarbons and even solid carbonaceous matters,in various geologic processes,distinguished into three classes:(1)pre-to early planetary processes;(2)mantle and magmatic processes;and(3)the gas/water-rock reaction processes in low-pressure ultramafic rock and high-pressure subduction zone systems.We not only emphasize how organics are abiotically synthesized but also explore the role or changes of organics in evolutionary geological environments after synthesis,such as phase transitions or organic-mineral interactions.Correspondingly,there is an urgent need to explore the diversity of abiotic organic compounds prevailing on Earth. 展开更多
关键词 abiotic hydrocarbons high P-T METHANE abiotic solid organic compounds deep carbon cycle
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