{"id":{"repo_id":"vilnius","oai_identifier":"oai:vu.lt:elaba:210578276"},"canonical_url":"https://search.dev.ndltd.org/etd/vilnius/oai:vu.lt:elaba:210578276","repository":{"repo_id":"vilnius","name":"Vilnius University","base_url":"https://epublications.vu.lt/oai"},"display":{"title":"Halo-fosfatų 31P, 1H ir 35Cl kietojo kūno BMR tyrimas /","abstract":"Calcium phosphates (CaPs) are a family of materials used for various applications such as bone regeneration, catalysis, 3D printing, development of optical materials, etc [1]. Properties such as bioactivity, biocompatibility and osteoconductivity are necessary for CaPs in bioapplications [1, 3]. Macroscopic properties and structures at the molecular level need to be investigated to determine newly synthesized CaPs applications. In this study, solid state Nuclear Magnetic Resonance (NMR) was used to investigate samples, composed of calcium chlorapatite (Ca5(PO4)3Cl) [4] or goryainovite (Ca2(PO4)Cl) [5], with varying morphology. 31P, 1H, 35Cl MAS [14], and 35Cl wideline NMR [15] spectra were used to determine materials present in samples. Also, correlations between spectra and morphology of studied materials were found. Using 31P MAS NMR spectra, it was found that surface phosphates and calcium hydroxylapatite (Ca5(PO4)3OH) were present in calcium chlorapatite (Ca5(PO4)3Cl) samples. The presence of calcium hydroxylapatite can be explained using the fact, that synthesis was performed in air atmosphere and inert conditions were not ensured. Using 1H MAS NMR spectra, it was found that structured and physisorbed/chemisorbed H2O and hydrogen phosphate were present in the samples. 35Cl MAS NMR and 35Cl wideline NMR spectra show us the formation of crystal and amorphic (glass) materials in calcium chlorapatite samples. Meanwhile, 35Cl wideline NMR spectra show us broad goryainovite spectral lines (CQ = 7.9 MHz), which we were unable to measure using MAS NMR methods.","abstract_html":"Calcium phosphates (CaPs) are a family of materials used for various applications such as bone regeneration, catalysis, 3D printing, development of optical materials, etc [1]. Properties such as bioactivity, biocompatibility and osteoconductivity are necessary for CaPs in bioapplications [1, 3]. Macroscopic properties and structures at the molecular level need to be investigated to determine newly synthesized CaPs applications. In this study, solid state Nuclear Magnetic Resonance (NMR) was used to investigate samples, composed of calcium chlorapatite (Ca5(PO4)3Cl) [4] or goryainovite (Ca2(PO4)Cl) [5], with varying morphology. 31P, 1H, 35Cl MAS [14], and 35Cl wideline NMR [15] spectra were used to determine materials present in samples. Also, correlations between spectra and morphology of studied materials were found. Using 31P MAS NMR spectra, it was found that surface phosphates and calcium hydroxylapatite (Ca5(PO4)3OH) were present in calcium chlorapatite (Ca5(PO4)3Cl) samples. The presence of calcium hydroxylapatite can be explained using the fact, that synthesis was performed in air atmosphere and inert conditions were not ensured. Using 1H MAS NMR spectra, it was found that structured and physisorbed/chemisorbed H2O and hydrogen phosphate were present in the samples. 35Cl MAS NMR and 35Cl wideline NMR spectra show us the formation of crystal and amorphic (glass) materials in calcium chlorapatite samples. Meanwhile, 35Cl wideline NMR spectra show us broad goryainovite spectral lines (CQ = 7.9 MHz), which we were unable to measure using MAS NMR methods.","abstract_has_math":false,"creators":["Lemežis, Rokas,"],"institution":"Institutional Repository of Vilnius University","degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":null,"school":null,"contributors":[],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2024,"date_issued":"2024","date_published":"2024","updated_at":"2026-07-24T05:55:48Z","subjects":[],"languages":["lit"],"rights":["info:eu-repo/semantics/openAccess"],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"https://repository.vu.lt/VU:ELABAETD210578276&prefLang=en_US","outbound_label":"Repository record","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:creator","label":"Author","values":["Lemežis, Rokas,"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2024"]},{"key":"dc:publisher","label":"Institution","values":["Institutional Repository of Vilnius University"]},{"key":"dc:relation","label":"Dc Relation","values":["https://epublications.vu.lt/object/elaba:210578276/210578276.pdf"]},{"key":"dc:type","label":"Dc Type","values":["info:eu-repo/semantics/bachelorThesis"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["lit"]},{"key":"dc:rights","label":"Dc Rights","values":["info:eu-repo/semantics/openAccess"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["https://repository.vu.lt/VU:ELABAETD210578276&prefLang=en_US"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Calcium phosphates (CaPs) are a family of materials used for various applications such as bone regeneration, catalysis, 3D printing, development of optical materials, etc [1]. Properties such as bioactivity, biocompatibility and osteoconductivity are necessary for CaPs in bioapplications [1, 3]. Macroscopic properties and structures at the molecular level need to be investigated to determine newly synthesized CaPs applications. In this study, solid state Nuclear Magnetic Resonance (NMR) was used to investigate samples, composed of calcium chlorapatite (Ca5(PO4)3Cl) [4] or goryainovite (Ca2(PO4)Cl) [5], with varying morphology. 31P, 1H, 35Cl MAS [14], and 35Cl wideline NMR [15] spectra were used to determine materials present in samples. Also, correlations between spectra and morphology of studied materials were found. Using 31P MAS NMR spectra, it was found that surface phosphates and calcium hydroxylapatite (Ca5(PO4)3OH) were present in calcium chlorapatite (Ca5(PO4)3Cl) samples. The presence of calcium hydroxylapatite can be explained using the fact, that synthesis was performed in air atmosphere and inert conditions were not ensured. Using 1H MAS NMR spectra, it was found that structured and physisorbed/chemisorbed H2O and hydrogen phosphate were present in the samples. 35Cl MAS NMR and 35Cl wideline NMR spectra show us the formation of crystal and amorphic (glass) materials in calcium chlorapatite samples. Meanwhile, 35Cl wideline NMR spectra show us broad goryainovite spectral lines (CQ = 7.9 MHz), which we were unable to measure using MAS NMR methods."]},{"key":"dc:format","label":"Dc Format","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Halo-fosfatų 31P, 1H ir 35Cl kietojo kūno BMR tyrimas /","31P, 1h and 35cl solid state nmr study of halo-phosphates."]}]}],"canonical_facts":{"dc:creator":["Lemežis, Rokas,"],"dc:date":["2024"],"dc:description":["Calcium phosphates (CaPs) are a family of materials used for various applications such as bone regeneration, catalysis, 3D printing, development of optical materials, etc [1]. Properties such as bioactivity, biocompatibility and osteoconductivity are necessary for CaPs in bioapplications [1, 3]. Macroscopic properties and structures at the molecular level need to be investigated to determine newly synthesized CaPs applications. In this study, solid state Nuclear Magnetic Resonance (NMR) was used to investigate samples, composed of calcium chlorapatite (Ca5(PO4)3Cl) [4] or goryainovite (Ca2(PO4)Cl) [5], with varying morphology. 31P, 1H, 35Cl MAS [14], and 35Cl wideline NMR [15] spectra were used to determine materials present in samples. Also, correlations between spectra and morphology of studied materials were found. Using 31P MAS NMR spectra, it was found that surface phosphates and calcium hydroxylapatite (Ca5(PO4)3OH) were present in calcium chlorapatite (Ca5(PO4)3Cl) samples. The presence of calcium hydroxylapatite can be explained using the fact, that synthesis was performed in air atmosphere and inert conditions were not ensured. Using 1H MAS NMR spectra, it was found that structured and physisorbed/chemisorbed H2O and hydrogen phosphate were present in the samples. 35Cl MAS NMR and 35Cl wideline NMR spectra show us the formation of crystal and amorphic (glass) materials in calcium chlorapatite samples. Meanwhile, 35Cl wideline NMR spectra show us broad goryainovite spectral lines (CQ = 7.9 MHz), which we were unable to measure using MAS NMR methods."],"dc:format":["application/pdf"],"dc:identifier":["https://repository.vu.lt/VU:ELABAETD210578276&prefLang=en_US"],"dc:language":["lit"],"dc:publisher":["Institutional Repository of Vilnius University"],"dc:relation":["https://epublications.vu.lt/object/elaba:210578276/210578276.pdf"],"dc:rights":["info:eu-repo/semantics/openAccess"],"dc:title":["Halo-fosfatų 31P, 1H ir 35Cl kietojo kūno BMR tyrimas /","31P, 1h and 35cl solid state nmr study of halo-phosphates."],"dc:type":["info:eu-repo/semantics/bachelorThesis"]},"updated_at":"2026-07-24T05:55:48Z"}