Effects of natural antioxidants on the oxidative stability of Eucommia ulmoides seed oil: Experimental and molecular simulation investigations
•The mechanism of antioxidant was discussed from the microscopic point of view.•The factors affecting the lipid oxidation were investigated by molecular simulations.•Induction period of myricetin/lipid system was greatly increased compared with control.•A rapid screening method for antioxidants was...
Gespeichert in:
| Veröffentlicht in: | Food chemistry 2022-07, Vol.383, p.132640-132640, Article 132640 |
|---|---|
| Hauptverfasser: | , , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 132640 |
|---|---|
| container_issue | |
| container_start_page | 132640 |
| container_title | Food chemistry |
| container_volume | 383 |
| creator | Ruan, Lu Lu, Ling Zhao, Xiuying Xiong, Wanwei Xu, Haiyan Wu, Sizhu |
| description | •The mechanism of antioxidant was discussed from the microscopic point of view.•The factors affecting the lipid oxidation were investigated by molecular simulations.•Induction period of myricetin/lipid system was greatly increased compared with control.•A rapid screening method for antioxidants was established.
Eucommia ulmoides seed oil with high health potential is prone to oxidative rancidity due to its rich unsaturated fatty acids. In this work, three natural antioxidants were selected for exploring the oxidation resistance of the oil compared with the common synthetic antioxidant BHT. Antioxidant activity and its dispersion and migration as well as oxygen barrier performance were predicted via the bond dissociation enthalpy (BDE), mean square displacement (MSD), binding energy (Ebinding) and permeability coefficient (S). The predicted comprehensive performance is as follows: myricetin > epicatechin > caffeic acid > BHT. Free radical scavenging assay and Rancimat assay confirmed the antioxidant activity and protective effect on oil. That is the protective effect of three natural antioxidants on Eucommia ulmoides seed oil is better than BHT and myricetin shows the optimal comprehensive performance. The induction period of myricetin/lipid system increased 164.5% compared with the control. The experimental results are in good consistent with the simulation predictions. |
| doi_str_mv | 10.1016/j.foodchem.2022.132640 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_miscellaneous_2661033766</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><els_id>S0308814622006021</els_id><sourcerecordid>2661033766</sourcerecordid><originalsourceid>FETCH-LOGICAL-c401t-83c1d07e9066ee6bebbbb3ede149ef86176af3c60a5f440ba747ac6d01507db33</originalsourceid><addsrcrecordid>eNqNUcFuEzEUtBCIhsIvVD5y2fR5vbF3OYGqQJEqcYGz5bWfqaP1OtjeqP0JvhknabmCL6Nnzbx5miHkisGaARPXu7WL0Zp7DOsW2nbNeCs6eEFWrJe8kSDbl2QFHPqmZ524IG9y3gFAC6x_TS74pmNcCrkiv7fOoSmZRkdnXZakJ6rn4uODtxXr_0zLPdLTXPwBaS569JMvj0fJdjExBK_pMoXoLWaaES2NfvpAtw97TD7gXE47LQ1xQrNMOtHsQ8XqMlM_HzAX__M05bfkldNTxndPeEl-fN5-v7lt7r59-Xrz6a4xHbDS9NwwCxIHEAJRjDjWx9Ei6wZ0vWBSaMeNAL1xXQejlp3URlhgG5B25PySvD_v3af4a6kHqOCzwWnSM8Ylq1YIBrxGJP6D2g3DIFsYKlWcqSbFnBM6ta8B6PSoGKhjbWqnnmtTx9rUubYqvHryWMaA9q_suadK-HgmYA3l4DGpbDzOBq1PtT5lo_-Xxx9aBLAX</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2649997209</pqid></control><display><type>article</type><title>Effects of natural antioxidants on the oxidative stability of Eucommia ulmoides seed oil: Experimental and molecular simulation investigations</title><source>MEDLINE</source><source>Elsevier ScienceDirect Journals</source><creator>Ruan, Lu ; Lu, Ling ; Zhao, Xiuying ; Xiong, Wanwei ; Xu, Haiyan ; Wu, Sizhu</creator><creatorcontrib>Ruan, Lu ; Lu, Ling ; Zhao, Xiuying ; Xiong, Wanwei ; Xu, Haiyan ; Wu, Sizhu</creatorcontrib><description>•The mechanism of antioxidant was discussed from the microscopic point of view.•The factors affecting the lipid oxidation were investigated by molecular simulations.•Induction period of myricetin/lipid system was greatly increased compared with control.•A rapid screening method for antioxidants was established.
Eucommia ulmoides seed oil with high health potential is prone to oxidative rancidity due to its rich unsaturated fatty acids. In this work, three natural antioxidants were selected for exploring the oxidation resistance of the oil compared with the common synthetic antioxidant BHT. Antioxidant activity and its dispersion and migration as well as oxygen barrier performance were predicted via the bond dissociation enthalpy (BDE), mean square displacement (MSD), binding energy (Ebinding) and permeability coefficient (S). The predicted comprehensive performance is as follows: myricetin > epicatechin > caffeic acid > BHT. Free radical scavenging assay and Rancimat assay confirmed the antioxidant activity and protective effect on oil. That is the protective effect of three natural antioxidants on Eucommia ulmoides seed oil is better than BHT and myricetin shows the optimal comprehensive performance. The induction period of myricetin/lipid system increased 164.5% compared with the control. The experimental results are in good consistent with the simulation predictions.</description><identifier>ISSN: 0308-8146</identifier><identifier>EISSN: 1873-7072</identifier><identifier>DOI: 10.1016/j.foodchem.2022.132640</identifier><identifier>PMID: 35413767</identifier><language>eng</language><publisher>England: Elsevier Ltd</publisher><subject>antioxidant activity ; antioxidants ; Antioxidants - chemistry ; Butylated Hydroxytoluene ; caffeic acid ; dissociation ; energy ; enthalpy ; epicatechin ; Eucommia ulmoides ; Eucommia ulmoides seed oil ; Eucommiaceae - chemistry ; food chemistry ; free radicals ; lipids ; molecular dynamics ; Molecular simulation ; myricetin ; Natural antioxidants ; oxidation ; Oxidation-Reduction ; Oxidative stability ; Oxidative Stress ; oxygen ; permeability ; Plant Oils - chemistry ; Plant Oils - pharmacology ; protective effect ; rancidity ; seed oils</subject><ispartof>Food chemistry, 2022-07, Vol.383, p.132640-132640, Article 132640</ispartof><rights>2022 Elsevier Ltd</rights><rights>Copyright © 2022 Elsevier Ltd. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c401t-83c1d07e9066ee6bebbbb3ede149ef86176af3c60a5f440ba747ac6d01507db33</citedby><cites>FETCH-LOGICAL-c401t-83c1d07e9066ee6bebbbb3ede149ef86176af3c60a5f440ba747ac6d01507db33</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S0308814622006021$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,776,780,3537,27901,27902,65534</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/35413767$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Ruan, Lu</creatorcontrib><creatorcontrib>Lu, Ling</creatorcontrib><creatorcontrib>Zhao, Xiuying</creatorcontrib><creatorcontrib>Xiong, Wanwei</creatorcontrib><creatorcontrib>Xu, Haiyan</creatorcontrib><creatorcontrib>Wu, Sizhu</creatorcontrib><title>Effects of natural antioxidants on the oxidative stability of Eucommia ulmoides seed oil: Experimental and molecular simulation investigations</title><title>Food chemistry</title><addtitle>Food Chem</addtitle><description>•The mechanism of antioxidant was discussed from the microscopic point of view.•The factors affecting the lipid oxidation were investigated by molecular simulations.•Induction period of myricetin/lipid system was greatly increased compared with control.•A rapid screening method for antioxidants was established.
Eucommia ulmoides seed oil with high health potential is prone to oxidative rancidity due to its rich unsaturated fatty acids. In this work, three natural antioxidants were selected for exploring the oxidation resistance of the oil compared with the common synthetic antioxidant BHT. Antioxidant activity and its dispersion and migration as well as oxygen barrier performance were predicted via the bond dissociation enthalpy (BDE), mean square displacement (MSD), binding energy (Ebinding) and permeability coefficient (S). The predicted comprehensive performance is as follows: myricetin > epicatechin > caffeic acid > BHT. Free radical scavenging assay and Rancimat assay confirmed the antioxidant activity and protective effect on oil. That is the protective effect of three natural antioxidants on Eucommia ulmoides seed oil is better than BHT and myricetin shows the optimal comprehensive performance. The induction period of myricetin/lipid system increased 164.5% compared with the control. The experimental results are in good consistent with the simulation predictions.</description><subject>antioxidant activity</subject><subject>antioxidants</subject><subject>Antioxidants - chemistry</subject><subject>Butylated Hydroxytoluene</subject><subject>caffeic acid</subject><subject>dissociation</subject><subject>energy</subject><subject>enthalpy</subject><subject>epicatechin</subject><subject>Eucommia ulmoides</subject><subject>Eucommia ulmoides seed oil</subject><subject>Eucommiaceae - chemistry</subject><subject>food chemistry</subject><subject>free radicals</subject><subject>lipids</subject><subject>molecular dynamics</subject><subject>Molecular simulation</subject><subject>myricetin</subject><subject>Natural antioxidants</subject><subject>oxidation</subject><subject>Oxidation-Reduction</subject><subject>Oxidative stability</subject><subject>Oxidative Stress</subject><subject>oxygen</subject><subject>permeability</subject><subject>Plant Oils - chemistry</subject><subject>Plant Oils - pharmacology</subject><subject>protective effect</subject><subject>rancidity</subject><subject>seed oils</subject><issn>0308-8146</issn><issn>1873-7072</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqNUcFuEzEUtBCIhsIvVD5y2fR5vbF3OYGqQJEqcYGz5bWfqaP1OtjeqP0JvhknabmCL6Nnzbx5miHkisGaARPXu7WL0Zp7DOsW2nbNeCs6eEFWrJe8kSDbl2QFHPqmZ524IG9y3gFAC6x_TS74pmNcCrkiv7fOoSmZRkdnXZakJ6rn4uODtxXr_0zLPdLTXPwBaS569JMvj0fJdjExBK_pMoXoLWaaES2NfvpAtw97TD7gXE47LQ1xQrNMOtHsQ8XqMlM_HzAX__M05bfkldNTxndPeEl-fN5-v7lt7r59-Xrz6a4xHbDS9NwwCxIHEAJRjDjWx9Ei6wZ0vWBSaMeNAL1xXQejlp3URlhgG5B25PySvD_v3af4a6kHqOCzwWnSM8Ylq1YIBrxGJP6D2g3DIFsYKlWcqSbFnBM6ta8B6PSoGKhjbWqnnmtTx9rUubYqvHryWMaA9q_suadK-HgmYA3l4DGpbDzOBq1PtT5lo_-Xxx9aBLAX</recordid><startdate>20220730</startdate><enddate>20220730</enddate><creator>Ruan, Lu</creator><creator>Lu, Ling</creator><creator>Zhao, Xiuying</creator><creator>Xiong, Wanwei</creator><creator>Xu, Haiyan</creator><creator>Wu, Sizhu</creator><general>Elsevier Ltd</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>7S9</scope><scope>L.6</scope></search><sort><creationdate>20220730</creationdate><title>Effects of natural antioxidants on the oxidative stability of Eucommia ulmoides seed oil: Experimental and molecular simulation investigations</title><author>Ruan, Lu ; Lu, Ling ; Zhao, Xiuying ; Xiong, Wanwei ; Xu, Haiyan ; Wu, Sizhu</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c401t-83c1d07e9066ee6bebbbb3ede149ef86176af3c60a5f440ba747ac6d01507db33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>antioxidant activity</topic><topic>antioxidants</topic><topic>Antioxidants - chemistry</topic><topic>Butylated Hydroxytoluene</topic><topic>caffeic acid</topic><topic>dissociation</topic><topic>energy</topic><topic>enthalpy</topic><topic>epicatechin</topic><topic>Eucommia ulmoides</topic><topic>Eucommia ulmoides seed oil</topic><topic>Eucommiaceae - chemistry</topic><topic>food chemistry</topic><topic>free radicals</topic><topic>lipids</topic><topic>molecular dynamics</topic><topic>Molecular simulation</topic><topic>myricetin</topic><topic>Natural antioxidants</topic><topic>oxidation</topic><topic>Oxidation-Reduction</topic><topic>Oxidative stability</topic><topic>Oxidative Stress</topic><topic>oxygen</topic><topic>permeability</topic><topic>Plant Oils - chemistry</topic><topic>Plant Oils - pharmacology</topic><topic>protective effect</topic><topic>rancidity</topic><topic>seed oils</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Ruan, Lu</creatorcontrib><creatorcontrib>Lu, Ling</creatorcontrib><creatorcontrib>Zhao, Xiuying</creatorcontrib><creatorcontrib>Xiong, Wanwei</creatorcontrib><creatorcontrib>Xu, Haiyan</creatorcontrib><creatorcontrib>Wu, Sizhu</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>AGRICOLA</collection><collection>AGRICOLA - Academic</collection><jtitle>Food chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ruan, Lu</au><au>Lu, Ling</au><au>Zhao, Xiuying</au><au>Xiong, Wanwei</au><au>Xu, Haiyan</au><au>Wu, Sizhu</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Effects of natural antioxidants on the oxidative stability of Eucommia ulmoides seed oil: Experimental and molecular simulation investigations</atitle><jtitle>Food chemistry</jtitle><addtitle>Food Chem</addtitle><date>2022-07-30</date><risdate>2022</risdate><volume>383</volume><spage>132640</spage><epage>132640</epage><pages>132640-132640</pages><artnum>132640</artnum><issn>0308-8146</issn><eissn>1873-7072</eissn><abstract>•The mechanism of antioxidant was discussed from the microscopic point of view.•The factors affecting the lipid oxidation were investigated by molecular simulations.•Induction period of myricetin/lipid system was greatly increased compared with control.•A rapid screening method for antioxidants was established.
Eucommia ulmoides seed oil with high health potential is prone to oxidative rancidity due to its rich unsaturated fatty acids. In this work, three natural antioxidants were selected for exploring the oxidation resistance of the oil compared with the common synthetic antioxidant BHT. Antioxidant activity and its dispersion and migration as well as oxygen barrier performance were predicted via the bond dissociation enthalpy (BDE), mean square displacement (MSD), binding energy (Ebinding) and permeability coefficient (S). The predicted comprehensive performance is as follows: myricetin > epicatechin > caffeic acid > BHT. Free radical scavenging assay and Rancimat assay confirmed the antioxidant activity and protective effect on oil. That is the protective effect of three natural antioxidants on Eucommia ulmoides seed oil is better than BHT and myricetin shows the optimal comprehensive performance. The induction period of myricetin/lipid system increased 164.5% compared with the control. The experimental results are in good consistent with the simulation predictions.</abstract><cop>England</cop><pub>Elsevier Ltd</pub><pmid>35413767</pmid><doi>10.1016/j.foodchem.2022.132640</doi><tpages>1</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0308-8146 |
| ispartof | Food chemistry, 2022-07, Vol.383, p.132640-132640, Article 132640 |
| issn | 0308-8146 1873-7072 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_2661033766 |
| source | MEDLINE; Elsevier ScienceDirect Journals |
| subjects | antioxidant activity antioxidants Antioxidants - chemistry Butylated Hydroxytoluene caffeic acid dissociation energy enthalpy epicatechin Eucommia ulmoides Eucommia ulmoides seed oil Eucommiaceae - chemistry food chemistry free radicals lipids molecular dynamics Molecular simulation myricetin Natural antioxidants oxidation Oxidation-Reduction Oxidative stability Oxidative Stress oxygen permeability Plant Oils - chemistry Plant Oils - pharmacology protective effect rancidity seed oils |
| title | Effects of natural antioxidants on the oxidative stability of Eucommia ulmoides seed oil: Experimental and molecular simulation investigations |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-14T21%3A44%3A31IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Effects%20of%20natural%20antioxidants%20on%20the%20oxidative%20stability%20of%20Eucommia%20ulmoides%20seed%20oil:%20Experimental%20and%20molecular%20simulation%20investigations&rft.jtitle=Food%20chemistry&rft.au=Ruan,%20Lu&rft.date=2022-07-30&rft.volume=383&rft.spage=132640&rft.epage=132640&rft.pages=132640-132640&rft.artnum=132640&rft.issn=0308-8146&rft.eissn=1873-7072&rft_id=info:doi/10.1016/j.foodchem.2022.132640&rft_dat=%3Cproquest_cross%3E2661033766%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2649997209&rft_id=info:pmid/35413767&rft_els_id=S0308814622006021&rfr_iscdi=true |