Molecular modeling as a tool to discriminate between enantiomers resolved by derivatized cyclodextrins in gas chromatography View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1996-12

AUTHORS

P. Cozzini, P. Domiano, P. C. Musini, G. Palla, E. Zanardi

ABSTRACT

The elution order of a series of enantiomers, determined by gas chromatography using permethylated and trifluoroacetylatedβ- andγ-cyclodextrins as stationary phases, was tentatively correlated with the lowest energies of the host-guest complex models resulting by including the enantiomers into the cyclodextrin cavity by means of the molecular mechanics method using standard software packagesSybyl andSpartan. The modeling data of cyclic isomers such as proline derivatives andγ-lactones correlate with the gas chromatographic data. Those of open isomers such as other aliphaticd,l-amino acids and alcohols, give contradictory results. More... »

PAGES

295-302

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf01053546

DOI

http://dx.doi.org/10.1007/bf01053546

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1042703596


Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
Incoming Citations Browse incoming citations for this publication using opencitations.net

JSON-LD is the canonical representation for SciGraph data.

TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

[
  {
    "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
    "about": [
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0301", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Analytical Chemistry", 
        "type": "DefinedTerm"
      }, 
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/03", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Chemical Sciences", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "University of Parma", 
          "id": "https://www.grid.ac/institutes/grid.10383.39", 
          "name": [
            "Laboratorio di Modellistica Molecolare, Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, Universit\u00e0 degli Studi, Viale delle Scienze, 1-43100, Parma, Italy"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Cozzini", 
        "givenName": "P.", 
        "id": "sg:person.01133501444.46", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01133501444.46"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "University of Parma", 
          "id": "https://www.grid.ac/institutes/grid.10383.39", 
          "name": [
            "Laboratorio di Modellistica Molecolare, Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, Universit\u00e0 degli Studi, Viale delle Scienze, 1-43100, Parma, Italy"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Domiano", 
        "givenName": "P.", 
        "id": "sg:person.012055743151.04", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012055743151.04"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "name": [
            "Dipartimento di Chimica Organica e Industriale, Universit\u00e0 degli Studi, Viale delle Scienze, 43100, Parma, Italy"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Musini", 
        "givenName": "P. C.", 
        "id": "sg:person.012163632607.72", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012163632607.72"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "name": [
            "Dipartimento di Chimica Organica e Industriale, Universit\u00e0 degli Studi, Viale delle Scienze, 43100, Parma, Italy"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Palla", 
        "givenName": "G.", 
        "id": "sg:person.01155031136.22", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01155031136.22"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "name": [
            "Dipartimento di Chimica Organica e Industriale, Universit\u00e0 degli Studi, Viale delle Scienze, 43100, Parma, Italy"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Zanardi", 
        "givenName": "E.", 
        "id": "sg:person.0635020753.61", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0635020753.61"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "https://doi.org/10.1016/0008-6215(84)85242-8", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1002708650"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/chir.530050202", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1003371513"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/jcc.540100804", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1027201739"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/jhrc.1240170216", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1027213282"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0040-4020(01)96669-4", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1029708728"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/anie.199009393", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1033482167"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/jhrc.1240160402", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1045453391"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/jhrc.1240160402", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1045453391"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/anie.197803631", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1048237269"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ac00032a009", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1054967442"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja00254a014", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055717890"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jo00264a033", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055976148"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jo00302a058", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055978414"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "1996-12", 
    "datePublishedReg": "1996-12-01", 
    "description": "The elution order of a series of enantiomers, determined by gas chromatography using permethylated and trifluoroacetylated\u03b2- and\u03b3-cyclodextrins as stationary phases, was tentatively correlated with the lowest energies of the host-guest complex models resulting by including the enantiomers into the cyclodextrin cavity by means of the molecular mechanics method using standard software packagesSybyl andSpartan. The modeling data of cyclic isomers such as proline derivatives and\u03b3-lactones correlate with the gas chromatographic data. Those of open isomers such as other aliphaticd,l-amino acids and alcohols, give contradictory results.", 
    "genre": "research_article", 
    "id": "sg:pub.10.1007/bf01053546", 
    "inLanguage": [
      "en"
    ], 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1119385", 
        "issn": [
          "1388-3127", 
          "2212-1765"
        ], 
        "name": "Journal of Inclusion Phenomena and Macrocyclic Chemistry", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "4", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "26"
      }
    ], 
    "name": "Molecular modeling as a tool to discriminate between enantiomers resolved by derivatized cyclodextrins in gas chromatography", 
    "pagination": "295-302", 
    "productId": [
      {
        "name": "readcube_id", 
        "type": "PropertyValue", 
        "value": [
          "cb6a3b232ef2e3fe76d269753e72e6e7eab99e87f567cc44ab71dbf102b38923"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1007/bf01053546"
        ]
      }, 
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1042703596"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1007/bf01053546", 
      "https://app.dimensions.ai/details/publication/pub.1042703596"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2019-04-11T00:09", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-uberresearch-data-dimensions-target-20181106-alternative/cleanup/v134/2549eaecd7973599484d7c17b260dba0a4ecb94b/merge/v9/a6c9fde33151104705d4d7ff012ea9563521a3ce/jats-lookup/v90/0000000001_0000000264/records_8695_00000482.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "http://link.springer.com/10.1007/BF01053546"
  }
]
 

Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

JSON-LD is a popular format for linked data which is fully compatible with JSON.

curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1007/bf01053546'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1007/bf01053546'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1007/bf01053546'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1007/bf01053546'


 

This table displays all metadata directly associated to this object as RDF triples.

131 TRIPLES      21 PREDICATES      39 URIs      19 LITERALS      7 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1007/bf01053546 schema:about anzsrc-for:03
2 anzsrc-for:0301
3 schema:author N50cd41c82ea74f05ba9bcc90afe22cab
4 schema:citation https://doi.org/10.1002/anie.197803631
5 https://doi.org/10.1002/anie.199009393
6 https://doi.org/10.1002/chir.530050202
7 https://doi.org/10.1002/jcc.540100804
8 https://doi.org/10.1002/jhrc.1240160402
9 https://doi.org/10.1002/jhrc.1240170216
10 https://doi.org/10.1016/0008-6215(84)85242-8
11 https://doi.org/10.1016/s0040-4020(01)96669-4
12 https://doi.org/10.1021/ac00032a009
13 https://doi.org/10.1021/ja00254a014
14 https://doi.org/10.1021/jo00264a033
15 https://doi.org/10.1021/jo00302a058
16 schema:datePublished 1996-12
17 schema:datePublishedReg 1996-12-01
18 schema:description The elution order of a series of enantiomers, determined by gas chromatography using permethylated and trifluoroacetylatedβ- andγ-cyclodextrins as stationary phases, was tentatively correlated with the lowest energies of the host-guest complex models resulting by including the enantiomers into the cyclodextrin cavity by means of the molecular mechanics method using standard software packagesSybyl andSpartan. The modeling data of cyclic isomers such as proline derivatives andγ-lactones correlate with the gas chromatographic data. Those of open isomers such as other aliphaticd,l-amino acids and alcohols, give contradictory results.
19 schema:genre research_article
20 schema:inLanguage en
21 schema:isAccessibleForFree false
22 schema:isPartOf N0c5020b3cb8f4755a82498be1f37862e
23 N7b84a5aa3d994ff7bafce5fc1ba16a12
24 sg:journal.1119385
25 schema:name Molecular modeling as a tool to discriminate between enantiomers resolved by derivatized cyclodextrins in gas chromatography
26 schema:pagination 295-302
27 schema:productId N00716fead37a4246adfa640224b80e64
28 N782bfcaecf244279b5f2ea01ead4099d
29 Nf60adbc3f4ff4ef2b928dd63674f6bd0
30 schema:sameAs https://app.dimensions.ai/details/publication/pub.1042703596
31 https://doi.org/10.1007/bf01053546
32 schema:sdDatePublished 2019-04-11T00:09
33 schema:sdLicense https://scigraph.springernature.com/explorer/license/
34 schema:sdPublisher N81cdf768f72e481c8c8a4c38f2f84ca2
35 schema:url http://link.springer.com/10.1007/BF01053546
36 sgo:license sg:explorer/license/
37 sgo:sdDataset articles
38 rdf:type schema:ScholarlyArticle
39 N00716fead37a4246adfa640224b80e64 schema:name dimensions_id
40 schema:value pub.1042703596
41 rdf:type schema:PropertyValue
42 N0c5020b3cb8f4755a82498be1f37862e schema:volumeNumber 26
43 rdf:type schema:PublicationVolume
44 N174c32f601e64377b3bca88f36d88643 rdf:first sg:person.012163632607.72
45 rdf:rest Ncbfc944ac97747169f6135c1438f2bc6
46 N2de87d4615e94b819757290caba187f7 rdf:first sg:person.012055743151.04
47 rdf:rest N174c32f601e64377b3bca88f36d88643
48 N43151c23fde649459f9d4e316e0c6a1c schema:name Dipartimento di Chimica Organica e Industriale, Università degli Studi, Viale delle Scienze, 43100, Parma, Italy
49 rdf:type schema:Organization
50 N50cd41c82ea74f05ba9bcc90afe22cab rdf:first sg:person.01133501444.46
51 rdf:rest N2de87d4615e94b819757290caba187f7
52 N782bfcaecf244279b5f2ea01ead4099d schema:name doi
53 schema:value 10.1007/bf01053546
54 rdf:type schema:PropertyValue
55 N7b84a5aa3d994ff7bafce5fc1ba16a12 schema:issueNumber 4
56 rdf:type schema:PublicationIssue
57 N81cdf768f72e481c8c8a4c38f2f84ca2 schema:name Springer Nature - SN SciGraph project
58 rdf:type schema:Organization
59 Ncbfc944ac97747169f6135c1438f2bc6 rdf:first sg:person.01155031136.22
60 rdf:rest Nf06eb3da22cd4bf0bafb5ba02f3c4356
61 Nf06eb3da22cd4bf0bafb5ba02f3c4356 rdf:first sg:person.0635020753.61
62 rdf:rest rdf:nil
63 Nf60adbc3f4ff4ef2b928dd63674f6bd0 schema:name readcube_id
64 schema:value cb6a3b232ef2e3fe76d269753e72e6e7eab99e87f567cc44ab71dbf102b38923
65 rdf:type schema:PropertyValue
66 Nf80e100954f146e694d5715ea06077b1 schema:name Dipartimento di Chimica Organica e Industriale, Università degli Studi, Viale delle Scienze, 43100, Parma, Italy
67 rdf:type schema:Organization
68 Nfeea8999c590483f9b28d328a0cb6689 schema:name Dipartimento di Chimica Organica e Industriale, Università degli Studi, Viale delle Scienze, 43100, Parma, Italy
69 rdf:type schema:Organization
70 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
71 schema:name Chemical Sciences
72 rdf:type schema:DefinedTerm
73 anzsrc-for:0301 schema:inDefinedTermSet anzsrc-for:
74 schema:name Analytical Chemistry
75 rdf:type schema:DefinedTerm
76 sg:journal.1119385 schema:issn 1388-3127
77 2212-1765
78 schema:name Journal of Inclusion Phenomena and Macrocyclic Chemistry
79 rdf:type schema:Periodical
80 sg:person.01133501444.46 schema:affiliation https://www.grid.ac/institutes/grid.10383.39
81 schema:familyName Cozzini
82 schema:givenName P.
83 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01133501444.46
84 rdf:type schema:Person
85 sg:person.01155031136.22 schema:affiliation Nfeea8999c590483f9b28d328a0cb6689
86 schema:familyName Palla
87 schema:givenName G.
88 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01155031136.22
89 rdf:type schema:Person
90 sg:person.012055743151.04 schema:affiliation https://www.grid.ac/institutes/grid.10383.39
91 schema:familyName Domiano
92 schema:givenName P.
93 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012055743151.04
94 rdf:type schema:Person
95 sg:person.012163632607.72 schema:affiliation N43151c23fde649459f9d4e316e0c6a1c
96 schema:familyName Musini
97 schema:givenName P. C.
98 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012163632607.72
99 rdf:type schema:Person
100 sg:person.0635020753.61 schema:affiliation Nf80e100954f146e694d5715ea06077b1
101 schema:familyName Zanardi
102 schema:givenName E.
103 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0635020753.61
104 rdf:type schema:Person
105 https://doi.org/10.1002/anie.197803631 schema:sameAs https://app.dimensions.ai/details/publication/pub.1048237269
106 rdf:type schema:CreativeWork
107 https://doi.org/10.1002/anie.199009393 schema:sameAs https://app.dimensions.ai/details/publication/pub.1033482167
108 rdf:type schema:CreativeWork
109 https://doi.org/10.1002/chir.530050202 schema:sameAs https://app.dimensions.ai/details/publication/pub.1003371513
110 rdf:type schema:CreativeWork
111 https://doi.org/10.1002/jcc.540100804 schema:sameAs https://app.dimensions.ai/details/publication/pub.1027201739
112 rdf:type schema:CreativeWork
113 https://doi.org/10.1002/jhrc.1240160402 schema:sameAs https://app.dimensions.ai/details/publication/pub.1045453391
114 rdf:type schema:CreativeWork
115 https://doi.org/10.1002/jhrc.1240170216 schema:sameAs https://app.dimensions.ai/details/publication/pub.1027213282
116 rdf:type schema:CreativeWork
117 https://doi.org/10.1016/0008-6215(84)85242-8 schema:sameAs https://app.dimensions.ai/details/publication/pub.1002708650
118 rdf:type schema:CreativeWork
119 https://doi.org/10.1016/s0040-4020(01)96669-4 schema:sameAs https://app.dimensions.ai/details/publication/pub.1029708728
120 rdf:type schema:CreativeWork
121 https://doi.org/10.1021/ac00032a009 schema:sameAs https://app.dimensions.ai/details/publication/pub.1054967442
122 rdf:type schema:CreativeWork
123 https://doi.org/10.1021/ja00254a014 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055717890
124 rdf:type schema:CreativeWork
125 https://doi.org/10.1021/jo00264a033 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055976148
126 rdf:type schema:CreativeWork
127 https://doi.org/10.1021/jo00302a058 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055978414
128 rdf:type schema:CreativeWork
129 https://www.grid.ac/institutes/grid.10383.39 schema:alternateName University of Parma
130 schema:name Laboratorio di Modellistica Molecolare, Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, Università degli Studi, Viale delle Scienze, 1-43100, Parma, Italy
131 rdf:type schema:Organization
 




Preview window. Press ESC to close (or click here)


...