<?xml version="1.0" encoding="utf-8"?>
<export-example>
  <doc>
    <id>43997</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4454</pageFirst>
    <pageLast>4461</pageLast>
    <pageNumber/>
    <edition/>
    <issue>12</issue>
    <volume>14</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Comprehensive molecular characterization of a cisplatin-specific monoclonal antibody</title>
    <abstract language="eng">Despite their immense and rapidly increasing&#13;
importance as analytical tools or therapeutic drugs, the detailed&#13;
structural features of particular monoclonal antibodies are&#13;
widely unknown. Here, an antibody already in use for diagnostic&#13;
purposes and for molecular dosimetry studies in cancer therapy&#13;
with very high affinity and specificity for cisplatin-induced DNA&#13;
modifications was studied extensively. The molecular structure&#13;
and modifications as well as the antigen specificity were&#13;
investigated mainly by mass spectrometry. Using nano electrospray&#13;
ionization mass spectrometry, it was possible to characterize the antibody in its native state. Tandem-MS experiments not&#13;
only revealed specific fragments but also gave information on the molecular structure. The detailed primary structure was further&#13;
elucidated by proteolytic treatment with a selection of enzymes and high resolution tandem-MS. The data were validated by&#13;
comparison with known antibody sequences. Then, the complex glycan structures bound to the antibody were characterized in&#13;
all detail. The Fc-bound oligosaccharides were released enzymatically and studied by matrix-assisted laser desorption/ionization&#13;
mass spectrometry. Overall 16 different major glycan structures were identified. The binding specificity of the antibody was&#13;
investigated by applying synthetic single and double stranded DNA oligomers harboring distinct Pt adducts. The antibody−&#13;
antigen complexes were analyzed by mass spectrometry under native conditions. The stability of the complex with double&#13;
stranded DNA was also investigated.</abstract>
    <parentTitle language="eng">Molecular Pharmaceutics</parentTitle>
    <identifier type="doi">10.1021/acs.molpharmaceut.7b00575</identifier>
    <identifier type="issn">1543-8384</identifier>
    <identifier type="issn">1543-8392</identifier>
    <enrichment key="date_peer_review">01.02.2018</enrichment>
    <author>L. Ruhe</author>
    <author>Stefanie Ickert</author>
    <author>U. Hochkirch</author>
    <author>J. Hofmann</author>
    <author>S. Beck</author>
    <author>J. Thomale</author>
    <author>M. W. Linscheid</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Antibody</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Native MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cisplatin</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PTM</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>44000</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>21</pageFirst>
    <pageLast>25</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>410</volume>
    <type>article</type>
    <publisherName>Springer</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A new strategy for metal labeling of glycan structures in antibodies</title>
    <abstract language="eng">Quantitative analysis of complex proteins is a challenging task in modern bioanalytical chemistry. Commonly available isotope labels are still suffering from limitations and drawbacks, whereas new metal labels open numerous possibilities in mass spectrometric analyses. In this work, we have developed a newmetal labeling strategy to tag glycan structures of proteins, more particularly antibodies. The oligosaccharide glycans were selectively trimmed to the last N-acetylglucosamine to which an artificial azide containing galactose residue was bound. This azide can be used for subsequent cycloaddition of an alkyne. Therefore, we developed a lanthanide-containing macrocyclic reagent to selectively connect to this azido galactose. In summary, the glycan structures of an antibody can be labeled with a metal functionality using this approach. Furthermore, the functionality of the antibodies can be fully maintained by labeling the Fc glycans instead of using labeling reagents that target amino or thiol groups. This approach enables the possibility of using elemental, besides molecular mass spectrometry, for quantitative analyses or imaging experiments of antibodies in complex biological samples.</abstract>
    <parentTitle language="eng">Anal. Bioanal. Chem.</parentTitle>
    <identifier type="doi">10.1007/s00216-017-0683-1</identifier>
    <identifier type="issn">1618-2650</identifier>
    <identifier type="issn">1618-2642</identifier>
    <enrichment key="date_peer_review">01.02.2018</enrichment>
    <author>L. Ruhe</author>
    <author>Stefanie Ickert</author>
    <author>S. Beck</author>
    <author>M. W. Linscheid</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Antibody</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metal labeling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Glycans</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>DOTA</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lanthanide</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>44429</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>225</pageFirst>
    <pageLast>230</pageLast>
    <pageNumber/>
    <edition/>
    <issue>2</issue>
    <volume>24</volume>
    <type>article</type>
    <publisherName>Sage</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Charge-induced geometrical reorganization of DNA oligonucleotides studied by tandem mass spectrometry and ion mobility</title>
    <abstract language="eng">Mass spectrometry is applied as a tool for the elucidation of molecular structures. This premises that gas-phase structures reflect the original geometry of the analytes, while it requires a thorough understanding and investigation of the forces controlling and affecting the gas-phase structures. However, only little is known about conformational changes of oligonucleotides in the gas phase. In this study, a series of multiply charged DNA oligonucleotides (n¼15–40) has been subjected to a comprehensive tandem mass spectrometric study to unravel transitions between different ionic gas-phase structures. The nucleobase sequence and the chain length were varied to gain insights into their influence on the geometrical oligonucleotide organization. Altogether, 23 oligonucleotides were analyzed using collision-induced fragmentation. All sequences showed comparable correlation regarding the characteristic collision energy. This value that is also a measure for stability, strongly correlates with the net charge density of the precursor ions. With decreasing charge of the oligonucleotides, an increase in the fragmentation energy was observed. At a distinct charge density, a deviation from linearity was observed for all studied species, indicating a structural reorganization. To corroborate the proposed geometrical change, collisional cross-sections of the oligonucleotides at different charge states were determined using ion mobility-mass spectrometry. The results clearly indicate that an increase in charge density and thus Coulomb repulsion results in the transition from a folded, compact form to elongated structures of the precursor ions. Our data show this structural transition to depend mainly on the charge density, whereas sequence and size do not have an influence.</abstract>
    <parentTitle language="eng">European Journal of Mass Spectrometry</parentTitle>
    <identifier type="doi">10.1177/1469066717746896</identifier>
    <identifier type="issn">1469-0667</identifier>
    <identifier type="issn">1751-6838</identifier>
    <enrichment key="date_peer_review">31.05.2018</enrichment>
    <author>Stefanie Ickert</author>
    <author>J. Hofmann</author>
    <author>Jens Riedel</author>
    <author>S. Beck</author>
    <author>K. Pagel</author>
    <author>M. W. Linscheid</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ion mobility</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Collision-induced dissociation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mass spectrometry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oligonucleotide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fragmentation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Tandem-MS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>44430</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>597</pageFirst>
    <pageLast>603</pageLast>
    <pageNumber/>
    <edition/>
    <issue>7</issue>
    <volume>32</volume>
    <type>article</type>
    <publisherName>Wiley &amp; Sons, Ltd.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Negative nucleotide ions as sensitive probes for energy specificity in collision‐induced fragmentation in mass spectrometry</title>
    <abstract language="eng">Rationale: The most commonly used fragmentation methods in tandem mass spectrometry (MS/MS) are collision‐induced dissociation (CID) and higher energy collisional dissociation (HCD). While in CID the preselected ions in the trap are resonantly (and m/z exclusively) excited, in HCD the entire m/z range experiences the dissociative acceleration. The different excitation is reflected in different fragment distributions. Methods: As a test‐bed for particularly pronounced fragmentation specificity, here MS/MS experiments on several 4‐mer oligonucleotides were conducted employing both collision methods and the results were thoroughly compared. Oligonucleotides are shown to be sensitive probes to subtle changes, especially in the negative ion mode. A detailed analysis of these differences reveals insight into the dissociation mechanics. Results: Thedifferencesarerepresentedinheat‐maps,whichallowforadirectvisualinspection oflargeamountsofdata.Inthesefalsecolourrepresentationsthe,sometimessubtle,changesinthe individual dissociation product distributions become distinct. Another advantage of these graphic plots can be found in the formation of systematic patterns. These patterns reflect trends in dissociation specificity which allow for the formulation of general rules in fragmentation behavior. Conclusions: Instruments equipped with two different excitation schemes for MS/MS are today widely available. Nonetheless, direct comparisons between the individual results are scarcely made. Such comparative studies bear a powerful analytical potential to elucidate fragmentation reaction mechanism.</abstract>
    <parentTitle language="eng">Rapid Communications in Mass Spectrometry</parentTitle>
    <identifier type="doi">10.1002/rcm.8062</identifier>
    <identifier type="issn">0951-4198</identifier>
    <identifier type="issn">1097-0231</identifier>
    <enrichment key="date_peer_review">29.03.2018</enrichment>
    <author>Stefanie Ickert</author>
    <author>Jens Riedel</author>
    <author>S. Beck</author>
    <author>M. W. Linscheid</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>DNA</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Tandem MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>HCD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>CID</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>47485</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>402</pageFirst>
    <pageLast>411</pageLast>
    <pageNumber/>
    <edition/>
    <issue>5</issue>
    <volume>54</volume>
    <type>article</type>
    <publisherName>Wiley</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Comparison of the fragmentation behavior of DNA and LNA single strands and duplexes</title>
    <abstract language="eng">DNA and locked nucleic acid (LNA) were characterized as single strands, as well as double stranded DNA-DNA duplexes and DNA-LNA hybrids using tandem mass spectrometry with collision-induced dissociation. Additionally, ion mobility spectrometry was carried out on selected species. Oligonucleotide duplexes of different sequences – bearing mismatch positions and abasic sites of complementary DNA 15-mers – were investigated to unravel general trends in their stability in the gas phase. Single stranded LNA oligonucleotides were also investigated with respect to their gas phase behavior and fragmentation upon collision-induced dissociation. In contrast to the collision-induced dissociation of DNA, almost no base loss was observed for LNAs. Here, backbone cleavages were the dominant dissociation pathways. This finding was further underlined by the need for higher activation energies. Base losses from the LNA strand were also absent in fragmentation experiments of the investigated DNA-LNA hybrid duplexes. While DNA-DNA duplexes dissociated easily into single stranded fragments, the high stability of DNA-LNA hybrids resulted in predominant fragmentation of the DNA part rather than the LNA, while base losses were only observed from the DNA single strand of the hybrid.</abstract>
    <parentTitle language="eng">Journal of Mass Spectrometry</parentTitle>
    <identifier type="doi">10.1002/jms.4344</identifier>
    <enrichment key="date_peer_review">06.03.2019</enrichment>
    <author>Stefanie Ickert</author>
    <author>Timm Schwaar</author>
    <author>A. Springer</author>
    <author>M. Grabarics</author>
    <author>Jens Riedel</author>
    <author>S. Beck</author>
    <author>K. Pagel</author>
    <author>M. W. Linscheid</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oligonucleotide fragmentation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Locked nucleic acids</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Collision induced dissociation (CID)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Double strands</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ion mobility spectrometry</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
</export-example>
