{"id":"https://openalex.org/W4408244346","doi":"https://doi.org/10.1002/nbm.70010","title":"Spline Baseline Model Flexibility Independently Affects the Accuracy and Precision of In Vivo Proton Magnetic Resonance Spectral Fitting in a Metabolite\u2010Specific Manner Not Visually Predicted by Fit Residuals","display_name":"Spline Baseline Model Flexibility Independently Affects the Accuracy and Precision of In Vivo Proton Magnetic Resonance Spectral Fitting in a Metabolite\u2010Specific Manner Not Visually Predicted by Fit Residuals","publication_year":2025,"publication_date":"2025-03-04","ids":{"openalex":"https://openalex.org/W4408244346","doi":"https://doi.org/10.1002/nbm.70010","pmid":"https://pubmed.ncbi.nlm.nih.gov/40040376"},"language":"en","primary_location":{"id":"doi:10.1002/nbm.70010","doi":"https://doi.org/10.1002/nbm.70010","is_oa":false,"landing_page_url":"https://doi.org/10.1002/nbm.70010","pdf_url":null,"source":{"id":"https://openalex.org/S45012897","display_name":"NMR in Biomedicine","issn_l":"0952-3480","issn":["0952-3480","1099-1492"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"NMR in Biomedicine","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5065875306","display_name":"Kelley M. Swanberg","orcid":"https://orcid.org/0000-0002-1254-190X","observed_orcids":["https://orcid.org/0000-0002-1254-190X"]},"institutions":[{"id":"https://openalex.org/I78577930","display_name":"Columbia University","ror":"https://ror.org/00hj8s172","country_code":"US","type":"education","lineage":["https://openalex.org/I78577930"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Kelley\u00a0M. Swanberg","raw_affiliation_strings":["Department of Biomedical Engineering Columbia University Fu Foundation School of Engineering and Applied Science  New York New York USA"],"raw_orcid":"https://orcid.org/0000-0002-1254-190X","affiliations":[{"raw_affiliation_string":"Department of Biomedical Engineering Columbia University Fu Foundation School of Engineering and Applied Science  New York New York USA","institution_ids":["https://openalex.org/I78577930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056252110","display_name":"Martin Gajdo\u0161\u00edk","orcid":"https://orcid.org/0000-0003-1570-2825","observed_orcids":["https://orcid.org/0000-0003-1570-2825"]},"institutions":[{"id":"https://openalex.org/I78577930","display_name":"Columbia University","ror":"https://ror.org/00hj8s172","country_code":"US","type":"education","lineage":["https://openalex.org/I78577930"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Martin Gajdo\u0161\u00edk","raw_affiliation_strings":["Department of Biomedical Engineering Columbia University Fu Foundation School of Engineering and Applied Science  New York New York USA"],"raw_orcid":"https://orcid.org/0000-0003-1570-2825","affiliations":[{"raw_affiliation_string":"Department of Biomedical Engineering Columbia University Fu Foundation School of Engineering and Applied Science  New York New York USA","institution_ids":["https://openalex.org/I78577930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044448175","display_name":"Karl Landheer","orcid":"https://orcid.org/0000-0001-5012-3007","observed_orcids":["https://orcid.org/0000-0001-5012-3007"]},"institutions":[{"id":"https://openalex.org/I78577930","display_name":"Columbia University","ror":"https://ror.org/00hj8s172","country_code":"US","type":"education","lineage":["https://openalex.org/I78577930"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Karl Landheer","raw_affiliation_strings":["Department of Biomedical Engineering Columbia University Fu Foundation School of Engineering and Applied Science  New York New York USA"],"raw_orcid":"https://orcid.org/0000-0001-5012-3007","affiliations":[{"raw_affiliation_string":"Department of Biomedical Engineering Columbia University Fu Foundation School of Engineering and Applied Science  New York New York USA","institution_ids":["https://openalex.org/I78577930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088484331","display_name":"Michael Treacy","orcid":"https://orcid.org/0009-0002-6775-8660","observed_orcids":["https://orcid.org/0009-0002-6775-8660"]},"institutions":[{"id":"https://openalex.org/I78577930","display_name":"Columbia University","ror":"https://ror.org/00hj8s172","country_code":"US","type":"education","lineage":["https://openalex.org/I78577930"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael Treacy","raw_affiliation_strings":["Department of Biomedical Engineering Columbia University Fu Foundation School of Engineering and Applied Science  New York New York USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biomedical Engineering Columbia University Fu Foundation School of Engineering and Applied Science  New York New York USA","institution_ids":["https://openalex.org/I78577930"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033851686","display_name":"Christoph Juchem","orcid":"https://orcid.org/0000-0002-1505-201X","observed_orcids":["https://orcid.org/0000-0002-1505-201X"]},"institutions":[{"id":"https://openalex.org/I2799503643","display_name":"Columbia University Irving Medical Center","ror":"https://ror.org/01esghr10","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I2799503643"]},{"id":"https://openalex.org/I76134821","display_name":"Medical University of Vienna","ror":"https://ror.org/05n3x4p02","country_code":"AT","type":"education","lineage":["https://openalex.org/I76134821"]},{"id":"https://openalex.org/I78577930","display_name":"Columbia University","ror":"https://ror.org/00hj8s172","country_code":"US","type":"education","lineage":["https://openalex.org/I78577930"]}],"countries":["AT","US"],"is_corresponding":false,"raw_author_name":"Christoph Juchem","raw_affiliation_strings":["Department of Biomedical Engineering Columbia University Fu Foundation School of Engineering and Applied Science  New York New York USA","Department of Radiology Columbia University College of Physicians and Surgeons  New York New York USA","High Field MR Center, Center for Medical Physics and Biomedical Engineering Medical University of Vienna  Vienna Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biomedical Engineering Columbia University Fu Foundation School of Engineering and Applied Science  New York New York USA","institution_ids":["https://openalex.org/I78577930"]},{"raw_affiliation_string":"Department of Radiology Columbia University College of Physicians and Surgeons  New York New York USA","institution_ids":["https://openalex.org/I2799503643","https://openalex.org/I78577930"]},{"raw_affiliation_string":"High Field MR Center, Center for Medical Physics and Biomedical Engineering Medical University of Vienna  Vienna Austria","institution_ids":["https://openalex.org/I76134821"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5065875306"],"corresponding_institution_ids":["https://openalex.org/I78577930"],"apc_list":{"value":3640,"currency":"USD","value_usd":3640},"apc_paid":null,"fwci":1.1445,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.72128353,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":96},"biblio":{"volume":"38","issue":"4","first_page":"e70010","last_page":"e70010"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10378","display_name":"Advanced MRI Techniques and Applications","score":0.9961000084877014,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10378","display_name":"Advanced MRI Techniques and Applications","score":0.9961000084877014,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.003100000089034438,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/1h-nmr-spectroscopy","display_name":"1H NMR","score":0.9160000085830688},{"id":"https://openalex.org/keywords/n-acetylaspartate","display_name":"N-acetylaspartate","score":0.8240000009536743},{"id":"https://openalex.org/keywords/glutamate-glutamine","display_name":"glutamate/glutamine","score":0.878000020980835},{"id":"https://openalex.org/keywords/lcmodel","display_name":"LCModel","score":0.6600000262260437}],"concepts":[{"id":"https://openalex.org/C146849305","wikidata":"https://www.wikidata.org/wiki/Q370766","display_name":"Ground truth","level":2,"score":0.5387163758277893},{"id":"https://openalex.org/C22679943","wikidata":"https://www.wikidata.org/wiki/Q159375","display_name":"Standard deviation","level":2,"score":0.527590811252594},{"id":"https://openalex.org/C2777477808","wikidata":"https://www.wikidata.org/wiki/Q407595","display_name":"Metabolite","level":2,"score":0.5080668926239014},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.4914602041244507},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.4777723550796509},{"id":"https://openalex.org/C180205008","wikidata":"https://www.wikidata.org/wiki/Q159190","display_name":"Amplitude","level":2,"score":0.47145041823387146},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.3897338807582855},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3720158338546753},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.34505119919776917},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.338762104511261},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2823227345943451},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.2481236755847931},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.1574864387512207},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.139319509267807},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11639001965522766},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000328","descriptor_name":"Adult","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001921","descriptor_name":"Brain","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D005260","descriptor_name":"Female","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008297","descriptor_name":"Male","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055442","descriptor_name":"Metabolome","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055815","descriptor_name":"Young Adult","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066244","descriptor_name":"Proton Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1002/nbm.70010","doi":"https://doi.org/10.1002/nbm.70010","is_oa":false,"landing_page_url":"https://doi.org/10.1002/nbm.70010","pdf_url":null,"source":{"id":"https://openalex.org/S45012897","display_name":"NMR in Biomedicine","issn_l":"0952-3480","issn":["0952-3480","1099-1492"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"NMR in Biomedicine","raw_type":"journal-article"},{"id":"pmid:40040376","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40040376","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"NMR in biomedicine","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G7997649184","display_name":"Yale University Clinical and Translational Science Award Program","funder_award_id":"UL1TR000142","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337472","display_name":"National Center for Advancing Translational Sciences","ror":"https://ror.org/04pw6fb54"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":49,"referenced_works":["https://openalex.org/W110315216","https://openalex.org/W965263879","https://openalex.org/W1975902021","https://openalex.org/W1990020089","https://openalex.org/W2000591290","https://openalex.org/W2007428718","https://openalex.org/W2013871495","https://openalex.org/W2016996526","https://openalex.org/W2035447428","https://openalex.org/W2038979894","https://openalex.org/W2041641505","https://openalex.org/W2050097404","https://openalex.org/W2056542352","https://openalex.org/W2060806362","https://openalex.org/W2061405560","https://openalex.org/W2065691495","https://openalex.org/W2079561024","https://openalex.org/W2101517066","https://openalex.org/W2106200082","https://openalex.org/W2109195157","https://openalex.org/W2115012618","https://openalex.org/W2134462887","https://openalex.org/W2145038624","https://openalex.org/W2149746172","https://openalex.org/W2168407651","https://openalex.org/W2328815034","https://openalex.org/W2417672884","https://openalex.org/W2582743722","https://openalex.org/W2790912949","https://openalex.org/W2794222266","https://openalex.org/W2896592237","https://openalex.org/W2896772418","https://openalex.org/W2898818714","https://openalex.org/W2949816023","https://openalex.org/W2962457753","https://openalex.org/W2973677141","https://openalex.org/W2979219007","https://openalex.org/W2988238454","https://openalex.org/W3009564973","https://openalex.org/W3026426302","https://openalex.org/W3037198595","https://openalex.org/W3049002156","https://openalex.org/W3108407288","https://openalex.org/W3125156133","https://openalex.org/W3128512883","https://openalex.org/W3183083726","https://openalex.org/W4251673379","https://openalex.org/W4401557595","https://openalex.org/W4404748009"],"related_works":["https://openalex.org/W2896772418","https://openalex.org/W3192755428","https://openalex.org/W2979219007","https://openalex.org/W1932851024","https://openalex.org/W3049002156","https://openalex.org/W6977378087","https://openalex.org/W3183083726","https://openalex.org/W7075333003","https://openalex.org/W1996199019","https://openalex.org/W2055629443"],"abstract_inverted_index":{"ABSTRACT":[0],"In":[1],"vivo":[2,167],"proton":[3],"magnetic":[4],"resonance":[5],"spectroscopy":[6],"(1H\u2010MRS)":[7],"data":[8,272],"often":[9],"exhibit":[10],"baselines":[11,45,88],"or":[12,106,189,197,288],"low\u2010amplitude":[13,23],"signal":[14],"variations":[15],"resulting":[16],"from":[17,145],"residual":[18],"water,":[19],"imperfectly":[20],"suppressed":[21],"lipids,":[22],"metabolites":[24,249],"not":[25,32,202,267,290,301],"considered":[26],"for":[27,86,174,222,233,247],"fitting,":[28],"and":[29,58,69,101,151,169,191,226,300],"other":[30],"features":[31],"represented":[33],"in":[34,46,148,166,253,259],"a":[35,170],"basis":[36,111],"set.":[37],"While":[38],"multitudinous":[39],"approaches":[40],"exist":[41],"to":[42,52,113,250,307],"model":[43,115,278],"these":[44,271],"1H\u2010MR":[47,284],"spectral":[48,83,87,116,285],"analysis,":[49],"many":[50],"continue":[51],"lack":[53],"systematic":[54],"validation":[55],"against":[56],"varied":[57],"realistic":[59],"ground\u2010truth":[60],"standards.":[61],"Here,":[62],"we":[63],"compare":[64],"the":[65,149,205],"accuracy":[66,188,287],"(error":[67,71],"mean)":[68],"precision":[70,190,246,265,289],"standard":[72,171],"deviation)":[73],"of":[74,97,154,184,195,256,296],"metabolite":[75,120],"scaling":[76],"estimates":[77],"by":[78,182,192,293,304],"linear":[79],"combination":[80],"modeling":[81],"(LCM)":[82],"fitting":[84],"accounting":[85],"via":[89],"smoothed":[90],"cubic":[91],"splines":[92],"at":[93,142],"50":[94],"different":[95],"combinations":[96],"fixed":[98],"knot":[99],"interval":[100],"smoothing":[102],"weight,":[103],"either":[104,187],"with":[105,283],"without":[107],"additionally":[108],"simulated":[109,257],"Gaussian":[110],"signals":[112,125],"separately":[114],"macromolecules.":[117],"Synthesized":[118],"in\u2010vivo\u2010like":[119],"brain":[121],"spectra":[122],"incorporating":[123],"macromolecule":[124,240],"measured":[126],"using":[127],"double\u2010inversion\u2010recovery\u2010prepared":[128],"sLASER":[129],"(TE":[130],"20.1":[131],"ms;":[132,138],"TR":[133],"2":[134],"s;":[135],"TI1":[136],"920":[137],"TI2":[139],"330":[140],"ms)":[141],"3":[143],"T":[144],"single":[146],"voxels":[147],"frontal":[150],"occipital":[152],"cortex":[153],"10":[155],"healthy":[156],"volunteers":[157],"(five":[158],"female;":[159],"23":[160],"\u00b1":[161,220,231],"5":[162],"y.o.)":[163],"provided":[164],"both":[165,181],"realism":[168],"ground":[172],"truth":[173],"error":[175,218,229],"calculation.":[176],"Optimal":[177],"baseline":[178,211,260,277],"flexibility":[179,279],"differed":[180],"definition":[183,196],"\u201coptimum\u201d":[185],"as":[186,242,244],"metabolite.":[193],"Regardless":[194],"metabolite,":[198],"optimal":[199],"models":[200,261],"were":[201],"those":[203],"yielding":[204],"smallest":[206],"fit":[207,264,298],"residuals.":[208],"Optimized":[209],"spline":[210,276],"definitions":[212],"yielded":[213],"high":[214],"accuracies":[215],"(lowest":[216],"mean":[217,228],"\u22120.003":[219],"2.1%":[221],"total":[223],"N\u2010acetyl":[224],"aspartate":[225],"highest":[227],"10.1":[230],"19.2%":[232],"glutamate":[234],"+":[235],"glutamine":[236],"within":[237],"fits":[238,251],"including":[239],"bases)":[241],"well":[243],"comparable":[245],"most":[248],"achieved":[252],"LCModel;":[254],"inclusion":[255],"macromolecules":[258],"improved":[262,303],"maximum":[263],"but":[266],"accuracy.":[268],"Taken":[269],"together,":[270],"illustrate":[273],"that":[274],"optimized":[275],"exhibits":[280],"metabolite\u2010specific":[281],"relationships":[282],"quantification":[286],"readily":[291],"predicted":[292],"visual":[294],"inspection":[295],"associated":[297],"residuals":[299],"necessarily":[302],"adaptive":[305],"relative":[306],"absolute":[308],"constraints.":[309]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2025-03-08T00:00:00"}
