Publications by authors named "Xingjie Zhang"

14 Publications

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The recovery, catabolism and potential bioactivity of polyphenols from carrot subjected to in vitro simulated digestion and colonic fermentation.

Food Res Int 2021 May 5;143:110263. Epub 2021 Mar 5.

State Key Laboratory of Food Science and Technology, China-Canada Joint Lab of Food Science and Technology (Nanchang), Nanchang University, 235 Nanjing East Road, Nanchang 330047, China. Electronic address:

Carrot powder digestion was researched utilizing an in vitro standardized static model associated with an in vitro colonic fermentation method to analyze the recovery, catabolism, and potential bioactivity of polyphenols from carrot. Twenty-seven polyphenols and their metabolites (hydroxybenzoic acids, hydroxycinnamic acids and its derivatives, etc.) were identified in samples before and after digestion/colonic fermentation, and the possible colonic pathways for major polyphenols were proposed. Polyphenols had low recovery during different phases of in vitro digestion (oral: -51.4%; gastric: -38%; intestinal: -35.3%, respectively). However, the concentration of polyphenols (p-hydroxybenzoic acid, gallic acid and protocatechuic acid) increased significantly after colonic fermentation for 12 h with 1391.7% recovery, then significantly declined after 48 h. Meanwhile, the released and catabolized polyphenols showed antioxidant activity and α-glucosidase inhibitory capacity (IC = 9.91 μg GAE/mL). The microbe community structure was regulated by fecal fermented carrot powder through improving relative abundance (RA) of beneficial microbiota and suppressed RA of various harmful bacteria. This work indicated that polyphenols from carrot potentially play a role in gastrointestinal and colonic health.
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http://dx.doi.org/10.1016/j.foodres.2021.110263DOI Listing
May 2021

Metabolomics based comprehensive investigation of Gardeniae Fructus induced hepatotoxicity.

Food Chem Toxicol 2021 Jul 5;153:112250. Epub 2021 May 5.

School of Pharmacy, Second Military Medical University, Shanghai, 200433, China; Shanghai Key Laboratory for Pharmaceutical Metabolite Research, School of Pharmacy, Second Military Medical University, Shanghai, 200433, China. Electronic address:

Gardeniae Fructus (Zhizi in Chinese, ZZ in brief), a commonly used herbal medicine, has aroused wide concern for hepatotoxicity, but the mechanism remains to be investigated. This study was aimed at investigating the mechanism of ZZ-induced liver injury in vivo and in vitro based on metabolomics and evaluating the hepatotoxicity prediction ability of the in vitro model. SD rats were administered with extracted ZZ and HepG2 cells were treated with genipin, the major hepatotoxic metabolite of ZZ. Liver, plasma, intracellular and extracellular samples were obtained for metabolomics analysis. As a result, ZZ caused plasma biochemical and liver histopathological alterations in rats, and induced purine and amino acid metabolism disorder in the liver and pyrimidine, primary bile acids, amino acid metabolism and pantothenate and CoA biosynthesis disorder in the plasma. Pyrimidine, purine, amino acid metabolism and pantothenate and CoA biosynthesis were also found to be disturbed in the genipin-treated HepG2 cells, which exhibited similarity with the result in vivo. This study comprehensively illustrates the underlying mechanism involved in ZZ-related hepatotoxicity from the aspect of metabolome, and provides evidence that identifying hepatotoxicity can be achieved in cells, representing a non-animal alternative for systemic toxicology.
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http://dx.doi.org/10.1016/j.fct.2021.112250DOI Listing
July 2021

Machine learning approaches for elucidating the biological effects of natural products.

Nat Prod Rep 2021 03;38(2):346-361

Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, Yunnan Research & Development Center for Natural Products, School of Chemical Science and Technology, Yunnan University, 2 Rd Cuihubei, P. R. China.

Covering: 2000 to 2020 Machine learning (ML) is an efficient tool for the prediction of bioactivity and the study of structure-activity relationships. Over the past decade, an emerging trend for combining these approaches with the study of natural products (NPs) has developed in order to manage the challenge of the discovery of bioactive NPs. In the present review, we will introduce the basic principles and protocols for using the ML approach to investigate the bioactivity of NPs, citing a series of practical examples regarding the study of anti-microbial, anti-cancer, and anti-inflammatory NPs, etc. ML algorithms manage a variety of classification and regression problems associated with bioactive NPs, from those that are linear to non-linear and from pure compounds to plant extracts. Inspired by cases reported in the literature and our own experience, a number of key points have been emphasized for reducing modeling errors, including dataset preparation and applicability domain analysis.
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http://dx.doi.org/10.1039/d0np00043dDOI Listing
March 2021

Release and metabolism of bound polyphenols from carrot dietary fiber and their potential activity in in vitro digestion and colonic fermentation.

Food Funct 2020 Jul 13;11(7):6652-6665. Epub 2020 Jul 13.

State Key Laboratory of Food Science and Technology, China-Canada Joint Lab of Food Science and Technology (Nanchang), Nanchang University, 235 Nanjing East Road, Nanchang 330047, China.

Dietary fiber is a carrier of abundant polyphenols and the potential benefits have attracted increasing attention. In this study, we performed in vitro simulated digestion in the oral, gastric and intestinal phases, and colonic fermentation with human fecal microbes, to explore the release and metabolism of bound polyphenols from carrot dietary fiber (CDF) and the potential activity. The results indicate that the bound polyphenols released by the fecal fermentation process (30.43%) from CDF were higher than in the digestion process (0.89%); 26 polyphenols and their catabolites were detected and the microbial pathways of primary polyphenols were proposed. The significant disintegration of the sheet-like structure of CDF after the in vitro fermentation was comparable to that of the digestion treatment. The released polyphenols exhibited antioxidant capacity and α-glucosidase inhibitory activity. The microbe community structure was regulated by the fecal-fermented CDF through decreasing the Firmicutes to Bacteroidetes ratio, improving the relative abundance (RA) of the beneficial microbiota and suppressing the RA of various harmful microbiota. Overall, this study suggests that the bound polyphenols might exert potential benefits in the gastrointestinal and colonic health of the CDF.
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http://dx.doi.org/10.1039/d0fo00975jDOI Listing
July 2020

Gelated Vorinostat with inner-lysosome triggered release for tumor-targeting chemotherapy.

Colloids Surf B Biointerfaces 2020 Oct 29;194:111144. Epub 2020 May 29.

Department of Pharmacy, Hebei North University Hebei Key Laboratory of Neuropharmacology, Zhangjiakou, People's Republic of China; School of Pharmacy, Second Military Medical University, Shanghai, People's Republic of China. Electronic address:

Histonedeacetylase inhibitor (HDACi) has great potential in targeted antitumor therapy by inhibiting tumor migration, invasion, and metastasis. As one of the typical HDACis, vorinostat (Suberoylanilide Hydroxamic Acid, SAHA) was approved as a therapeutic agent for cancer therapy, however, challenges remain due to their poor solubility, short half-life and low efficiency in cellular penetration. Considering the disadvantages of usual drug carriers, folate and vorinostat bound BSA nanogel (FVBN)was fabricated to implement higher solubility, stability, cellular uptake, and lipase-responsive release. With good dispersion and stability, FVBN significantly increased the cellular uptake of vorinostat through folate-mediated endocytosis. FVBN exhibited comparable cytotoxicity with free SAHA, and the growth of tumor cells was blocked in G1/G0 phase just like SAHA performed in cell cycle arrest tests. Moreover, FVBN not only effectively inhibited the growth of melanoma but also observably prevented pulmonary metastasis of melanoma. In the experiment against nude mice bearing solid ovarian cancer, FVBN showed excellent antitumor effect without liver damage, demonstrating the superiority of gelated and inner-lysosome triggered release strategies to the free SAHA, and it is promising to expand the scope of application of HDACi in clinical cancer therapy.
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http://dx.doi.org/10.1016/j.colsurfb.2020.111144DOI Listing
October 2020

Folate-mediated and pH-responsive chidamide-bound micelles encapsulating photosensitizers for tumor-targeting photodynamic therapy.

Int J Nanomedicine 2019 22;14:5527-5540. Epub 2019 Jul 22.

School of Pharmacy, Second Military Medical University, Shanghai, People's Republic of China.

 Nonspecific tumor targeting, potential relapse and metastasis of tumor after treatment are the main barriers in clinical photodynamic therapy (PDT) for cancer, hence, inhibiting relapse and metastasis of tumor is significant issues in clinic. In this work, chidamide as a histone deacetylases inhibitor (HADCi) was bound onto a pH-responsive block polymer folate polyethylene glycol--poly(aspartic acid) (PEG--PAsp) grafted folate (FA-PEG--PAsp) to obtain the block polymer folate polyethylene glycol--poly(asparaginyl-chidamide) (FA-PEG--PAsp-chidamide, FPPC) as multimodal tumor-targeting drug-delivery carrier to inhibiting tumor cell proliferation and tumor metastasis in mice.  Model photosensitizer pyropheophorbide- (Pha) was encapsulated by FPPC in PBS to form the polymer micelles [email protected] [folate polyethylene glycol--poly(asparaginyl-chidamide) micelles encapsulating Pha]. [email protected] was characterized by transmission electron microscope and dynamic light scattering; also, antitumor activity in vivo and in vitro were investigated by determination of cellular ROS level, detection of cell apoptosis and cell cycle arrest, PDT antitumor activity in vivo and histological analysis. With favorable and stable sphere morphology under transmission electron microscope (TEM) (~93.0 nm), [email protected] greatly enhanced the cellular uptake due to its folate-mediated effective endocytosis by mouse melanoma B16-F10 cells and the yield of ROS in tumor cells induced by PDT, and mainly caused necrocytosis and blocked cell growth cycle not only in G2 phase but also in G1/G0 phase after PDT. [email protected] exhibited lower dark cytotoxicity in vitro and a better therapeutic index because of its higher dark cytotoxicity/photocytotoxicity ratio. Moreover, [email protected] not only significantly inhibited the growth of implanted tumor and prolonged the survival time of melanoma-bearing mice due to both its folate-mediated tumor-targeting and selectively accumulation at tumor site by EPR (enhanced permeability and retention)effect as micelle nanoparticles but also remarkably prevented pulmonary metastasis of mice melanoma after PDT compared to free Pha, demonstrating its dual antitumor characteristics of PDT and HDACi. As a folate-mediated and acid-activated chidamide-grafted drug-delivery carrier, FPPC may have great potential to inhibit tumor metastasis in clinical photodynamic treatment for cancer because of its effective and multimodal tumor-targeting performance as photosensitizer vehicle.
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http://dx.doi.org/10.2147/IJN.S208649DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6661377PMC
October 2019

Copper-Catalyzed N-H/C-H Sequential Relay Oxidative Radical Carboannulation: Construction of Diversely Substituted [60]Fullerene-Fused Tetrahydrocyclopenta[]indoles.

Org Lett 2019 Aug 2;21(16):6461-6465. Epub 2019 Aug 2.

Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Key Laboratory of Organic Functional Molecule and Drug Innovation, School of Chemistry and Chemical Engineering , Henan Normal University , Xinxiang , Henan 453007 , China.

Reported herein is a new copper-catalyzed N-H/C-H sequential relay oxidative radical carboannulation of [60]fullerene with C2-functionalized free indoles for the direct construction of novel [60]fullerene-fused tetrahydrocyclopenta[]indoles. The transformation shows high regioselectivity and atom economy, broad substrate scope, and good functional group tolerance, providing an efficient and practical approach to access diversely substituted fullerene-fused polycyclic derivatives from simple hydrocarbons.
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http://dx.doi.org/10.1021/acs.orglett.9b02354DOI Listing
August 2019

Triterpenoids from : A Class of Sensitizers of FLC-Resistant to Fluconazole.

J Nat Prod 2019 08 16;82(8):2067-2077. Epub 2019 Jul 16.

Key Laboratory of Medicinal Chemistry for Natural Resource of Ministry of Education and Yunnan Province, School of Chemical Science and Technology , Yunnan University , Kunming 650091 , People's Republic of China.

Fungal drug resistance is a major health threat, and reports of clinical resistance worldwide are becoming increasingly common. In a research program to discover new molecules to help overcome this problem, 14 new lanostane-type triterpenoids, gibbosicolids A-G (-) and gibbosic acids I-O (-), were isolated from the fruiting bodies of , along with seven known triterpenoid derivatives. These compounds featured high levels of oxidation, epimerization, and γ-lactonization. Structures were elucidated by comprehensive spectroscopic analyses and HRMS data. Absolute configurations were assigned based on quantum chemical calculations, including calculated chemical shift with DP4+ analysis, coupling constants, and electronic circular dichroism (ECD) methods. Results show that the calculated NMR with DP4+ analysis could not reliably establish the overall spatial configuration of molecules possessing independent and free-rotational stereoclusters. All these compounds significantly increased the sensitivity of fluconazole (FLC)-resistant to FLC. Compounds , , , , , , and exhibited strong antifungal activity against FLC-resistant when combined with FLC, with MIC values ranging from 3.8 to 8.8 μg/mL.
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http://dx.doi.org/10.1021/acs.jnatprod.9b00148DOI Listing
August 2019

Internet Use Influences Self-Related Process: Evidence From Behavior and ERPs.

Front Psychol 2018 18;9:2597. Epub 2018 Dec 18.

School of Psychology, Central China Normal University, Wuhan, China.

The present study aimed to examine whether a self-related stimulus produces a self-related process bias between pathological-tendency Internet users and ordinary Internet users. Participants were asked to judge the color of the target stimulus' frame (Internet pictures) in an implicit priming task, which enclosed the prime of self/other related words and the target of the online image in sequence. Results from Experiment 1 showed that response time (RT) in the self-related condition was significantly longer than that of the other related condition. Further analysis showed that RT in the self-related condition was significantly longer than that under the other related conditions for pathological-tendency Internet users but not for ordinary Internet users. In Experiment 2, behavior results demonstrated that RT under the self-related condition was significantly longer than that in the other-related condition for both groups, and the RT was shorter for pathological-tendency Internet users than that of the ordinary Internet users. Moreover, ERP data showed that the N2 amplitude was larger in the self-related condition than that of other related conditions for pathological-tendency Internet users but not for ordinary Internet users. The amplitudes of late positive component (LPC) was smaller in the self-related condition than those of the other related conditions. Hence, the Internet use influenced the inhibition control in self-unrelated stimuli and automatically retrieved the self-related stimuli.
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http://dx.doi.org/10.3389/fpsyg.2018.02597DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6306039PMC
December 2018

Nickel-Catalyzed Highly Regioselective Hydrocyanation of Terminal Alkynes with Zn(CN) Using Water as the Hydrogen Source.

J Am Chem Soc 2018 06 8;140(24):7385-7389. Epub 2018 Jun 8.

State Key Laboratory of Organometallic Chemistry, Center for Excellence in Molecular Synthesis, Shanghai Institute of Organic Chemistry , University of Chinese Academy of Sciences, Chinese Academy of Sciences , 345 Lingling Lu , Shanghai 200032 , People's Republic of China.

The first efficient and general nickel-catalyzed hydrocyanation of terminal alkynes with Zn(CN) in the presence of water has been developed. The reaction provides a regioselective protocol for the synthesis of functionalized vinyl nitriles with a range of structural diversity under mild reaction conditions while obviating use of the volatile and hazardous reagent of HCN. Deuterium-labeling experiments confirmed the role of water as the hydrogen source in this hydrocyanation reaction.
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http://dx.doi.org/10.1021/jacs.8b02542DOI Listing
June 2018

Teuvincenone F Suppresses LPS-Induced Inflammation and NLRP3 Inflammasome Activation by Attenuating NEMO Ubiquitination.

Front Pharmacol 2017 23;8:565. Epub 2017 Aug 23.

Department of Immunology, School of Medicine, Shenzhen UniversityShenzhen, China.

Inflammation causes many diseases that are serious threats to human health. However, the molecular mechanisms underlying regulation of inflammation and inflammasome activation are not fully understood which has delayed the discovery of new anti-inflammatory drugs of urgent clinic need. Here, we found that the natural compound Teuvincenone F, which was isolated and purified from the stems and leaves of , could significantly inhibit lipopolysaccharide (LPS)-induced pro-inflammatory cytokines production and NLRP3 inflammasome activation. Our results showed that Teuvincenone F attenuated K63-linked ubiquitination of NF-κB-essential modulator (NEMO, also known as IKKγ) to suppress LPS-induced phosphorylation of NF-κB, and inhibited mRNA expression of IL-1β, IL-6, TNF-α, and NLRP3. In addition, we found that decreased NLRP3 expression by Teuvincenone F suppressed NLRP3 inflammasome activation and IL-1β/IL-18 maturation. , we revealed that Teuvincenone F treatment relieved LPS-induced inflammation. In conclusion, Teuvincenone F is a highly effective natural compound to suppress LPS-induced inflammation by attenuating K63-linked ubiquitination of NEMO, highlighting that Teuvincenone F may be a potential new anti-inflammatory drug for the treatment of inflammatory and NLRP3 inflammasome-driven diseases.
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http://dx.doi.org/10.3389/fphar.2017.00565DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5572209PMC
August 2017

General and Mild Nickel-Catalyzed Cyanation of Aryl/Heteroaryl Chlorides with Zn(CN): Key Roles of DMAP.

Org Lett 2017 04 5;19(8):2118-2121. Epub 2017 Apr 5.

State Key Laboratory of Organometallic Chemistry, Shanghai Institute of Organic Chemistry, University of Chinese Academy of Sciences, Chinese Academy of Sciences , 345 Lingling Lu, Shanghai 200032, People's Republic of China.

A new and general nickel-catalyzed cyanation of hetero(aryl) chlorides using less toxic Zn(CN) as the cyanide source has been developed. The reaction relies on the use of inexpensive NiCl·6HO/dppf/Zn as the catalytic system and DMAP as the additive, allowing the cyanation to occur under mild reaction conditions (50-80 °C) with wide functional group tolerance. DMAP was found to be crucial for successful transformation, and the reaction likely proceeds via a Ni(0)/Ni(II) catalysis based on mechanistic studies. The method was also successfully extended to aryl bromides and aryl iodides.
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http://dx.doi.org/10.1021/acs.orglett.7b00732DOI Listing
April 2017

Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving -carbometalation of alkynes.

Chem Sci 2016 Sep 19;7(9):5815-5820. Epub 2016 May 19.

State Key Laboratory of Organometallic Chemistry , Shanghai Institute of Organic Chemistry , Chinese Academy of Sciences , 345 Lingling Road , Shanghai 200032 , China . Email:

A nickel-catalyzed regioselective addition/cyclization of -(cyano)phenyl propargyl ethers with arylboronic acids has been developed, which provides an efficient protocol for the synthesis of highly functionalized 1-naphthylamines with wide structural diversity. The reaction is characterized by a regioselective and -addition of the arylboronic acids to the alkyne and subsequent facile nucleophilic addition of the resulting alkenylmetal to the tethered cyano group. Mechanistic studies reveal that a Ni(i) species might be involved in the catalytic process.
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http://dx.doi.org/10.1039/c6sc01191hDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6021782PMC
September 2016

The complete mitochondrial genome of Bufo raddei.

Mitochondrial DNA A DNA Mapp Seq Anal 2016 09 10;27(5):3659-60. Epub 2015 Sep 10.

a Gansu Key Laboratory of Biomonitoring and Bioremediation for Environmental Pollution, School of Life Sciences, Lanzhou University , Lanzhou , PR China.

The complete mitochondrial genome of Bufo raddei is carried out in the present research using Illumina Hiseq 2500. The mitogenome is 17 602 bp in length and contains 13 protein-coding genes, 22 transfer RNA genes, two ribosomal RNA genes, and a D-loop region. The overall base composition of the H-strand is 29.15% for A, 26.09% for C, 15.16% for G, and 29.60% for T. The G + C content is 41.25%. Phylogenetic analyses of B. raddei and other 12 amphibian were carried out using Bayesian phylogenetic methods. The sequences of B. raddei were clustered in genus Bufo.
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http://dx.doi.org/10.3109/19401736.2015.1079843DOI Listing
September 2016