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[{"key": "dc.contributor.advisor", "value": "Siev\u00e4nen Elina", "language": "", "element": "contributor", "qualifier": "advisor", "schema": "dc"}, {"key": "dc.contributor.advisor", "value": "Permi Perttu", "language": "", "element": "contributor", "qualifier": "advisor", "schema": "dc"}, {"key": "dc.contributor.author", "value": "Laatikainen, Pekka", "language": null, "element": "contributor", "qualifier": "author", "schema": "dc"}, {"key": "dc.date.accessioned", "value": "2017-06-22T07:42:54Z", "language": "", "element": "date", "qualifier": "accessioned", "schema": "dc"}, {"key": "dc.date.available", "value": "2017-06-22T07:42:54Z", "language": "", "element": "date", "qualifier": "available", "schema": "dc"}, {"key": "dc.date.issued", "value": "2017", "language": null, "element": "date", "qualifier": "issued", "schema": "dc"}, {"key": "dc.identifier.other", "value": "oai:jykdok.linneanet.fi:1704252", "language": null, "element": "identifier", "qualifier": "other", "schema": "dc"}, {"key": "dc.identifier.uri", "value": "https://jyx.jyu.fi/handle/123456789/54647", "language": "", "element": "identifier", "qualifier": "uri", "schema": "dc"}, {"key": "dc.description.abstract", "value": "Korkean resoluution NMR-spektroskopia eroaa muista molekyylispektroskopioista siin\u00e4, ett\u00e4 jopa kaikkein monimutkaisimmat, tuhansista yksitt\u00e4isist\u00e4 spektriviivoista muodostuvat spektrit voidaan esitt\u00e4\u00e4 vain muutaman parametrin avulla k\u00e4ytt\u00e4m\u00e4ll\u00e4 kvanttimekaanista teoriaa. Tietokoneistetun NMR-spektrianalyysin tarkoituksena on m\u00e4\u00e4ritt\u00e4\u00e4 n\u00e4m\u00e4 parametrit havaitusta spektrist\u00e4 kvanttimekaanisen spektrianalyysin (QMSA) avulla. Tutkielmassa k\u00e4yd\u00e4\u00e4n l\u00e4pi tietokoneistetun NMR-spektroskopian taustahistoriaa ja teoriaa sek\u00e4 sivutaan sen eri k\u00e4ytt\u00f6kohteita.\r\nTutkielman kokeellisessa osassa luotiin k\u00e4ytt\u00f6liittym\u00e4 (ChemAdder) tietokoneistettuun NMR-spektroskopiaan erikoistuneeseen tietokoneohjelmaan, joka toimii yhdess\u00e4 laskutoimituksia tekev\u00e4n Fortran-ohjelman (SpinAdder) kanssa. Ohjelma soveltuu hyvin my\u00f6s perinteiseen spektrianalyysiin, ja se tukee t\u00e4ll\u00e4 hetkell\u00e4 JCAMP-DX-spektriformaattia (1D ja 2D). K\u00e4ytt\u00f6liittym\u00e4 toteutettiin Qt:lla, joka on moderni alustariippumaton ohjelmistojen ja graafisten k\u00e4ytt\u00f6liittymien C++ kehitysymp\u00e4rist\u00f6. \r\nQMSA:n yksi lupaavimmista sovellutuksista on erilaisten seosten, kuten biologisten nesteiden kvantitatiivinen analyysi. Ohjelman avulla voidaan rakentaa, tallentaa ja k\u00e4ytt\u00e4\u00e4 tehokkaasti adaptiivisia spektrikirjastoja (ASL), jotka sis\u00e4lt\u00e4v\u00e4t esimerkiksi metaboliittien spektrit parametritiedostoina. Parametritiedostojen koko on murto-osa alkuper\u00e4isist\u00e4 spektreist\u00e4 ja niit\u00e4 k\u00e4ytt\u00e4m\u00e4ll\u00e4 analyysiss\u00e4 tarvittavat varsinaiset spektrit voidaan simuloida hetkess\u00e4 miss\u00e4 tahansa kent\u00e4ss\u00e4, k\u00e4ytt\u00e4m\u00e4ll\u00e4 mit\u00e4 tahansa juovan muotoa tai leveytt\u00e4. Ohjelman sis\u00e4lt\u00e4m\u00e4 ASL-apuri mahdollistaa l\u00e4hes automaattisen suurienkin spektriaineistojen k\u00e4sittelyn muutamalla klikkauksella spektridatasta pylv\u00e4sdiagrammiin ja CSV-tiedostoon. ChemAdder-projektin kotisivu, posteriesitys ja video l\u00f6ytyv\u00e4t osoitteesta http://chemadder.com.", "language": "fi", "element": "description", "qualifier": "abstract", "schema": "dc"}, {"key": "dc.description.provenance", "value": "Submitted using Plone Publishing form by Pekka Laatikainen (peillaat) on 2017-06-22 07:42:53.457522. Form: Pro gradu -lomake (https://kirjasto.jyu.fi/julkaisut/julkaisulomakkeet/pro-gradu-lomake). JyX data: [jyx_publishing-allowed (fi) =True]", "language": "en", "element": "description", "qualifier": "provenance", "schema": "dc"}, {"key": "dc.description.provenance", "value": "Submitted by jyx lomake-julkaisija (jyx-julkaisija.group@korppi.jyu.fi) on 2017-06-22T07:42:54Z\r\nNo. of bitstreams: 2\r\nURN:NBN:fi:jyu-201706223022.pdf: 5001239 bytes, checksum: d87e528ba3cc269fcd53f749f3d66c63 (MD5)\r\nlicense.html: 4853 bytes, checksum: f62ab6c9bdb0156dda274cb182615979 (MD5)", "language": "en", "element": "description", "qualifier": "provenance", "schema": "dc"}, {"key": "dc.description.provenance", "value": "Made available in DSpace on 2017-06-22T07:42:54Z (GMT). No. of bitstreams: 2\r\nURN:NBN:fi:jyu-201706223022.pdf: 5001239 bytes, checksum: d87e528ba3cc269fcd53f749f3d66c63 (MD5)\r\nlicense.html: 4853 bytes, checksum: f62ab6c9bdb0156dda274cb182615979 (MD5)\r\n Previous issue date: 2017", "language": "en", "element": "description", "qualifier": "provenance", "schema": "dc"}, {"key": "dc.format.extent", "value": "1 verkkoaineisto (99 sivua)", "language": null, "element": "format", "qualifier": "extent", "schema": "dc"}, {"key": "dc.format.mimetype", "value": "application/pdf", "language": null, "element": "format", "qualifier": "mimetype", "schema": "dc"}, {"key": "dc.language.iso", "value": "fin", "language": null, "element": "language", "qualifier": "iso", "schema": "dc"}, {"key": "dc.rights", "value": "In Copyright", "language": "en", "element": "rights", "qualifier": null, "schema": "dc"}, {"key": "dc.subject.other", "value": "NMR", "language": "", "element": "subject", "qualifier": "other", "schema": "dc"}, {"key": "dc.subject.other", "value": "kvantitatiivinen", "language": "", "element": "subject", "qualifier": "other", "schema": "dc"}, {"key": "dc.title", "value": "Tietokoneistettu NMR-spektroskopia : uuden sukupolven k\u00e4ytt\u00f6liittym\u00e4 ja spektrianalyysi", "language": null, "element": "title", "qualifier": null, "schema": "dc"}, {"key": "dc.type", "value": "master thesis", "language": null, "element": "type", "qualifier": null, "schema": "dc"}, {"key": "dc.identifier.urn", "value": "URN:NBN:fi:jyu-201706223022", "language": null, "element": "identifier", "qualifier": "urn", "schema": "dc"}, {"key": "dc.type.ontasot", "value": "Pro gradu -tutkielma", "language": "fi", "element": "type", "qualifier": "ontasot", "schema": "dc"}, {"key": "dc.type.ontasot", "value": "Master\u2019s thesis", "language": "en", "element": "type", "qualifier": "ontasot", "schema": "dc"}, {"key": "dc.contributor.faculty", "value": "Matemaattis-luonnontieteellinen tiedekunta", "language": "fi", "element": "contributor", "qualifier": "faculty", "schema": "dc"}, {"key": "dc.contributor.faculty", "value": "Faculty of Sciences", "language": "en", "element": "contributor", "qualifier": "faculty", "schema": "dc"}, {"key": "dc.contributor.department", "value": "Kemian laitos", "language": "fi", "element": "contributor", "qualifier": "department", "schema": "dc"}, {"key": "dc.contributor.department", "value": "Department of Chemistry", "language": "en", "element": "contributor", "qualifier": "department", "schema": "dc"}, {"key": "dc.contributor.organization", "value": "University of Jyv\u00e4skyl\u00e4", "language": "en", "element": "contributor", "qualifier": "organization", "schema": "dc"}, {"key": "dc.contributor.organization", "value": "Jyv\u00e4skyl\u00e4n yliopisto", "language": "fi", "element": "contributor", "qualifier": "organization", "schema": "dc"}, {"key": "dc.subject.discipline", "value": "Orgaaninen kemia", "language": "fi", "element": "subject", "qualifier": "discipline", "schema": "dc"}, {"key": "dc.subject.discipline", "value": "Organic Chemistry", "language": "en", "element": "subject", "qualifier": "discipline", "schema": "dc"}, {"key": "dc.date.updated", "value": "2017-06-22T07:42:55Z", "language": "", "element": "date", "qualifier": "updated", "schema": "dc"}, {"key": "yvv.contractresearch.funding", "value": "0", "language": "", "element": "contractresearch", "qualifier": "funding", "schema": "yvv"}, {"key": "dc.type.coar", "value": "http://purl.org/coar/resource_type/c_bdcc", "language": null, "element": "type", "qualifier": "coar", "schema": "dc"}, {"key": "dc.rights.accesslevel", "value": "openAccess", "language": "fi", "element": "rights", "qualifier": "accesslevel", "schema": "dc"}, {"key": "dc.type.publication", "value": "masterThesis", "language": null, "element": "type", "qualifier": "publication", "schema": "dc"}, {"key": "dc.subject.oppiainekoodi", "value": "4035", "language": null, "element": "subject", "qualifier": "oppiainekoodi", "schema": "dc"}, {"key": "dc.subject.yso", "value": "NMR-spektroskopia", "language": null, "element": "subject", "qualifier": "yso", "schema": "dc"}, {"key": "dc.format.content", "value": "fulltext", "language": null, "element": "format", "qualifier": "content", "schema": "dc"}, {"key": "dc.rights.url", "value": "https://rightsstatements.org/page/InC/1.0/", "language": null, "element": "rights", "qualifier": "url", "schema": "dc"}, {"key": "dc.type.okm", "value": "G2", "language": null, "element": "type", "qualifier": "okm", "schema": "dc"}]
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