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Structure analysis of sulfated polysaccharides extracted from green seaweed Ulva lactuca: experimental and density functional theory studies
The structure of sulfated polysaccharides extracted from green seaweed Ulva lactuca has been determined using NMR experiments. The obtained results indicate that this natural product is mainly composed of disaccharide A 3S : [→4)-β- d -GlcA-(1 → 4)- α - l -Rha3S-(1→] and B 3S : [→4)-α- l -IdoA-(1 →...
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| Published in: | Monatshefte für Chemie 2018-01, Vol.149 (1), p.197-205 |
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| container_title | Monatshefte für Chemie |
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| creator | Tran, Thi Thanh Van Huy, Bui The Truong, Hai Bang Bui, Minh Ly Thanh, Thi Thu Thuy Dao, Duy Quang |
| description | The structure of sulfated polysaccharides extracted from green seaweed
Ulva lactuca
has been determined using NMR experiments. The obtained results indicate that this natural product is mainly composed of disaccharide A
3S
: [→4)-β-
d
-GlcA-(1 → 4)-
α
-
l
-Rha3S-(1→] and B
3S
: [→4)-α-
l
-IdoA-(1 → 4)-α-
l
-Rha3S-(1→]. The computational calculations using density functional theory (DFT) at the B3LYP/6–311+G(2d,p)//B3LYP/6–311G(d,p) model chemistries were also investigated to analyze the obtained structures based on the comparison of
1
H and
13
C NMR chemical shifts. The DFT results also confirm that the A
3S
structure is more dominating than the B
3S
one with the mean absolute error of
1
H and
13
C NMR chemical shifts, respectively, equal to 0.46 and 4.98 ppm for the A
3S
and to 2.07 and 5.03 ppm for the B
3S
.
Graphical abstract |
| doi_str_mv | 10.1007/s00706-017-2056-z |
| format | article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_1979948693</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>1979948693</sourcerecordid><originalsourceid>FETCH-LOGICAL-c419t-969daa52f5ddcbe65c09a72bcbb85e44925ec48878062c921cdfdc86054ce193</originalsourceid><addsrcrecordid>eNp1UE1PwzAMjRBIjMEP4BaJcyHJ0o9wQxNf0iQOjHOUJu7WqWtLnALbb-BHk6kcuHCxZfu9Z_sRcsnZNWcsv8EYWJYwnieCpVmyPyITLmcykTJPj8mEMZElSsj8lJwhblisJZtNyPdr8IMNgwdqWtPssEbaVRSHpjIBHO272DPWro2vHSCFr-CNPUwq323pygO0FMF8Qmy9NR-GNnE8WHMboT34egttME0Ud9RBi3XY0Wpobai7uI6GNXR-RzEMrgY8JyeVaRAufvOULB_ul_OnZPHy-Dy_WyRWchUSlSlnTCqq1DlbQpZapkwuSluWRQpSKpGClUWRFywTVgluXeVskbFUWuBqNiVXo2zvu_cBMOhNN_h4DmqucqVkkalZRPERZX2H6KHSffzG-J3mTB8816PnOnquD57rfeSIkYMR267A_1H-l_QDcuqJZw</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>1979948693</pqid></control><display><type>article</type><title>Structure analysis of sulfated polysaccharides extracted from green seaweed Ulva lactuca: experimental and density functional theory studies</title><source>Springer Nature</source><creator>Tran, Thi Thanh Van ; Huy, Bui The ; Truong, Hai Bang ; Bui, Minh Ly ; Thanh, Thi Thu Thuy ; Dao, Duy Quang</creator><creatorcontrib>Tran, Thi Thanh Van ; Huy, Bui The ; Truong, Hai Bang ; Bui, Minh Ly ; Thanh, Thi Thu Thuy ; Dao, Duy Quang</creatorcontrib><description>The structure of sulfated polysaccharides extracted from green seaweed
Ulva lactuca
has been determined using NMR experiments. The obtained results indicate that this natural product is mainly composed of disaccharide A
3S
: [→4)-β-
d
-GlcA-(1 → 4)-
α
-
l
-Rha3S-(1→] and B
3S
: [→4)-α-
l
-IdoA-(1 → 4)-α-
l
-Rha3S-(1→]. The computational calculations using density functional theory (DFT) at the B3LYP/6–311+G(2d,p)//B3LYP/6–311G(d,p) model chemistries were also investigated to analyze the obtained structures based on the comparison of
1
H and
13
C NMR chemical shifts. The DFT results also confirm that the A
3S
structure is more dominating than the B
3S
one with the mean absolute error of
1
H and
13
C NMR chemical shifts, respectively, equal to 0.46 and 4.98 ppm for the A
3S
and to 2.07 and 5.03 ppm for the B
3S
.
Graphical abstract</description><identifier>ISSN: 0026-9247</identifier><identifier>EISSN: 1434-4475</identifier><identifier>DOI: 10.1007/s00706-017-2056-z</identifier><language>eng</language><publisher>Vienna: Springer Vienna</publisher><subject>Analytical Chemistry ; Chemistry ; Chemistry and Materials Science ; Chemistry/Food Science ; Density functional theory ; Inorganic Chemistry ; NMR ; Nuclear magnetic resonance ; Organic Chemistry ; Original Paper ; Physical Chemistry ; Polysaccharides ; Structural analysis ; Theoretical and Computational Chemistry ; Two dimensional models</subject><ispartof>Monatshefte für Chemie, 2018-01, Vol.149 (1), p.197-205</ispartof><rights>Springer-Verlag GmbH Austria 2017</rights><rights>Copyright Springer Science & Business Media 2018</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c419t-969daa52f5ddcbe65c09a72bcbb85e44925ec48878062c921cdfdc86054ce193</citedby><cites>FETCH-LOGICAL-c419t-969daa52f5ddcbe65c09a72bcbb85e44925ec48878062c921cdfdc86054ce193</cites><orcidid>0000-0003-0896-5168</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27903,27904</link.rule.ids></links><search><creatorcontrib>Tran, Thi Thanh Van</creatorcontrib><creatorcontrib>Huy, Bui The</creatorcontrib><creatorcontrib>Truong, Hai Bang</creatorcontrib><creatorcontrib>Bui, Minh Ly</creatorcontrib><creatorcontrib>Thanh, Thi Thu Thuy</creatorcontrib><creatorcontrib>Dao, Duy Quang</creatorcontrib><title>Structure analysis of sulfated polysaccharides extracted from green seaweed Ulva lactuca: experimental and density functional theory studies</title><title>Monatshefte für Chemie</title><addtitle>Monatsh Chem</addtitle><description>The structure of sulfated polysaccharides extracted from green seaweed
Ulva lactuca
has been determined using NMR experiments. The obtained results indicate that this natural product is mainly composed of disaccharide A
3S
: [→4)-β-
d
-GlcA-(1 → 4)-
α
-
l
-Rha3S-(1→] and B
3S
: [→4)-α-
l
-IdoA-(1 → 4)-α-
l
-Rha3S-(1→]. The computational calculations using density functional theory (DFT) at the B3LYP/6–311+G(2d,p)//B3LYP/6–311G(d,p) model chemistries were also investigated to analyze the obtained structures based on the comparison of
1
H and
13
C NMR chemical shifts. The DFT results also confirm that the A
3S
structure is more dominating than the B
3S
one with the mean absolute error of
1
H and
13
C NMR chemical shifts, respectively, equal to 0.46 and 4.98 ppm for the A
3S
and to 2.07 and 5.03 ppm for the B
3S
.
Graphical abstract</description><subject>Analytical Chemistry</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Chemistry/Food Science</subject><subject>Density functional theory</subject><subject>Inorganic Chemistry</subject><subject>NMR</subject><subject>Nuclear magnetic resonance</subject><subject>Organic Chemistry</subject><subject>Original Paper</subject><subject>Physical Chemistry</subject><subject>Polysaccharides</subject><subject>Structural analysis</subject><subject>Theoretical and Computational Chemistry</subject><subject>Two dimensional models</subject><issn>0026-9247</issn><issn>1434-4475</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><recordid>eNp1UE1PwzAMjRBIjMEP4BaJcyHJ0o9wQxNf0iQOjHOUJu7WqWtLnALbb-BHk6kcuHCxZfu9Z_sRcsnZNWcsv8EYWJYwnieCpVmyPyITLmcykTJPj8mEMZElSsj8lJwhblisJZtNyPdr8IMNgwdqWtPssEbaVRSHpjIBHO272DPWro2vHSCFr-CNPUwq323pygO0FMF8Qmy9NR-GNnE8WHMboT34egttME0Ud9RBi3XY0Wpobai7uI6GNXR-RzEMrgY8JyeVaRAufvOULB_ul_OnZPHy-Dy_WyRWchUSlSlnTCqq1DlbQpZapkwuSluWRQpSKpGClUWRFywTVgluXeVskbFUWuBqNiVXo2zvu_cBMOhNN_h4DmqucqVkkalZRPERZX2H6KHSffzG-J3mTB8816PnOnquD57rfeSIkYMR267A_1H-l_QDcuqJZw</recordid><startdate>20180101</startdate><enddate>20180101</enddate><creator>Tran, Thi Thanh Van</creator><creator>Huy, Bui The</creator><creator>Truong, Hai Bang</creator><creator>Bui, Minh Ly</creator><creator>Thanh, Thi Thu Thuy</creator><creator>Dao, Duy Quang</creator><general>Springer Vienna</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0003-0896-5168</orcidid></search><sort><creationdate>20180101</creationdate><title>Structure analysis of sulfated polysaccharides extracted from green seaweed Ulva lactuca: experimental and density functional theory studies</title><author>Tran, Thi Thanh Van ; Huy, Bui The ; Truong, Hai Bang ; Bui, Minh Ly ; Thanh, Thi Thu Thuy ; Dao, Duy Quang</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c419t-969daa52f5ddcbe65c09a72bcbb85e44925ec48878062c921cdfdc86054ce193</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Analytical Chemistry</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Chemistry/Food Science</topic><topic>Density functional theory</topic><topic>Inorganic Chemistry</topic><topic>NMR</topic><topic>Nuclear magnetic resonance</topic><topic>Organic Chemistry</topic><topic>Original Paper</topic><topic>Physical Chemistry</topic><topic>Polysaccharides</topic><topic>Structural analysis</topic><topic>Theoretical and Computational Chemistry</topic><topic>Two dimensional models</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Tran, Thi Thanh Van</creatorcontrib><creatorcontrib>Huy, Bui The</creatorcontrib><creatorcontrib>Truong, Hai Bang</creatorcontrib><creatorcontrib>Bui, Minh Ly</creatorcontrib><creatorcontrib>Thanh, Thi Thu Thuy</creatorcontrib><creatorcontrib>Dao, Duy Quang</creatorcontrib><collection>CrossRef</collection><jtitle>Monatshefte für Chemie</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Tran, Thi Thanh Van</au><au>Huy, Bui The</au><au>Truong, Hai Bang</au><au>Bui, Minh Ly</au><au>Thanh, Thi Thu Thuy</au><au>Dao, Duy Quang</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Structure analysis of sulfated polysaccharides extracted from green seaweed Ulva lactuca: experimental and density functional theory studies</atitle><jtitle>Monatshefte für Chemie</jtitle><stitle>Monatsh Chem</stitle><date>2018-01-01</date><risdate>2018</risdate><volume>149</volume><issue>1</issue><spage>197</spage><epage>205</epage><pages>197-205</pages><issn>0026-9247</issn><eissn>1434-4475</eissn><abstract>The structure of sulfated polysaccharides extracted from green seaweed
Ulva lactuca
has been determined using NMR experiments. The obtained results indicate that this natural product is mainly composed of disaccharide A
3S
: [→4)-β-
d
-GlcA-(1 → 4)-
α
-
l
-Rha3S-(1→] and B
3S
: [→4)-α-
l
-IdoA-(1 → 4)-α-
l
-Rha3S-(1→]. The computational calculations using density functional theory (DFT) at the B3LYP/6–311+G(2d,p)//B3LYP/6–311G(d,p) model chemistries were also investigated to analyze the obtained structures based on the comparison of
1
H and
13
C NMR chemical shifts. The DFT results also confirm that the A
3S
structure is more dominating than the B
3S
one with the mean absolute error of
1
H and
13
C NMR chemical shifts, respectively, equal to 0.46 and 4.98 ppm for the A
3S
and to 2.07 and 5.03 ppm for the B
3S
.
Graphical abstract</abstract><cop>Vienna</cop><pub>Springer Vienna</pub><doi>10.1007/s00706-017-2056-z</doi><tpages>9</tpages><orcidid>https://orcid.org/0000-0003-0896-5168</orcidid></addata></record> |
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| language | eng |
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| source | Springer Nature |
| subjects | Analytical Chemistry Chemistry Chemistry and Materials Science Chemistry/Food Science Density functional theory Inorganic Chemistry NMR Nuclear magnetic resonance Organic Chemistry Original Paper Physical Chemistry Polysaccharides Structural analysis Theoretical and Computational Chemistry Two dimensional models |
| title | Structure analysis of sulfated polysaccharides extracted from green seaweed Ulva lactuca: experimental and density functional theory studies |
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