@article{BurgerRumpfDoetal.2021, author = {Burger, Ren{\´e} and Rumpf, Jessica and Do, Xuan Tung and Monakhova, Yulia and Diehl, Bernd W. K. and Rehahn, Matthias and Schulze, Margit}, title = {Is NMR combined with multivariate regression applicable for the molecular weight determination of randomly cross-linked polymers such as lignin?}, series = {ACS Omega}, volume = {6}, journal = {ACS Omega}, number = {44}, publisher = {ACS Publications}, address = {Washington, DC}, issn = {2470-1343}, doi = {10.1021/acsomega.1c03574}, pages = {29516 -- 29524}, year = {2021}, abstract = {The molecular weight properties of lignins are one of the key elements that need to be analyzed for a successful industrial application of these promising biopolymers. In this study, the use of 1H NMR as well as diffusion-ordered spectroscopy (DOSY NMR), combined with multivariate regression methods, was investigated for the determination of the molecular weight (Mw and Mn) and the polydispersity of organosolv lignins (n = 53, Miscanthus x giganteus, Paulownia tomentosa, and Silphium perfoliatum). The suitability of the models was demonstrated by cross validation (CV) as well as by an independent validation set of samples from different biomass origins (beech wood and wheat straw). CV errors of ca. 7-9 and 14-16\% were achieved for all parameters with the models from the 1H NMR spectra and the DOSY NMR data, respectively. The prediction errors for the validation samples were in a similar range for the partial least squares model from the 1H NMR data and for a multiple linear regression using the DOSY NMR data. The results indicate the usefulness of NMR measurements combined with multivariate regression methods as a potential alternative to more time-consuming methods such as gel permeation chromatography.}, language = {en} } @article{BurmistrovaSobolevaMonakhova2021, author = {Burmistrova, Natalia A. and Soboleva, Polina M. and Monakhova, Yulia}, title = {Is infrared spectroscopy combined with multivariate analysis a promising tool for heparin authentication?}, series = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {194}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, number = {Article number: 113811}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {0731-7085}, doi = {10.1016/j.jpba.2020.113811}, year = {2021}, abstract = {The investigation of the possibility to determine various characteristics of powder heparin (n = 115) was carried out with infrared spectroscopy. The evaluation of heparin samples included several parameters such as purity grade, distributing company, animal source as well as heparin species (i.e. Na-heparin, Ca-heparin, and heparinoids). Multivariate analysis using principal component analysis (PCA), soft independent modelling of class analogy (SIMCA), and partial least squares - discriminant analysis (PLS-DA) were applied for the modelling of spectral data. Different pre-processing methods were applied to IR spectral data; multiplicative scatter correction (MSC) was chosen as the most relevant. Obtained results were confirmed by nuclear magnetic resonance (NMR) spectroscopy. Good predictive ability of this approach demonstrates the potential of IR spectroscopy and chemometrics for screening of heparin quality. This approach, however, is designed as a screening tool and is not considered as a replacement for either of the methods required by USP and FDA.}, language = {en} } @article{FeuerriegelKlose1998, author = {Feuerriegel, Uwe and Klose, W.}, title = {Investigations into the Mechanism of the Deactivation of a Palladium-Supported Catalyst by Hydrogen Sulfide Poisoning. Klose, W. ; Feuerriegel, U.}, series = {Chemical engineering \& technology. 21 (1998), H. 7}, journal = {Chemical engineering \& technology. 21 (1998), H. 7}, isbn = {0930-7516}, pages = {562 -- 564}, year = {1998}, language = {en} } @article{ChristophBahrenbergVryetal.2008, author = {Christoph, Thomas and Bahrenberg, Gregor and Vry, Jean de and Englberger, Werner and Erdmann, Volker A. and Frech, Moritz and K{\"o}gel, Babette and R{\"o}hl, Thomas and Schiene, Klaus and Schr{\"o}der, Wolfgang and Seibler, Jost and Kurreck, Jens}, title = {Investigation of TRPV1 loss-of-function phenotypes in transgenic shRNA expressing and knockout mice}, series = {Molecular and Cellular Neuroscience}, volume = {37}, journal = {Molecular and Cellular Neuroscience}, number = {3}, issn = {1044-7431}, doi = {10.1016/j.mcn.2007.12.006}, pages = {579 -- 589}, year = {2008}, language = {en} } @article{BreuerMangSchoeningetal.2017, author = {Breuer, Lars and Mang, Thomas and Sch{\"o}ning, Michael Josef and Thoelen, Ronald and Wagner, Torsten}, title = {Investigation of the spatial resolution of a laser-based stimulation process for light-addressable hydrogels with incorporated graphene oxide by means of IR thermography}, series = {Sensors and Actuators A: Physical}, volume = {268}, journal = {Sensors and Actuators A: Physical}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0924-4247}, doi = {10.1016/j.sna.2017.11.031}, pages = {126 -- 132}, year = {2017}, language = {en} } @article{MangKolzMartinsetal.2007, author = {Mang, Thomas and Kolz, J. and Martins, J. and Kremer, K.}, title = {Investigation of the Elastomer-Foam Production with Single-Sided NMR / Kolz, J. ; Martins, J. ; Kremer, K. ; Mang, Thomas ; Bl{\"u}mich, B.}, series = {Kautschuk Gummi Kunststoffe. 60 (2007), H. 4}, journal = {Kautschuk Gummi Kunststoffe. 60 (2007), H. 4}, isbn = {0948-3276}, pages = {179 -- 183}, year = {2007}, language = {en} } @article{MangKolzHungeretal.2007, author = {Mang, Thomas and Kolz, J. and Hunger, K. and Rath, S.}, title = {Investigation of self-diffusion processes in ionic hydrogels with a single-sided sensor / Kolz, J. ; Hunger, K. ; Rath, S. ; Mang, T. ; Bl{\"u}mich, B.}, series = {Magnetic Resonance Imaging. 25 (2007), H. 4}, journal = {Magnetic Resonance Imaging. 25 (2007), H. 4}, isbn = {0730-725X}, pages = {566 -- 567}, year = {2007}, language = {en} } @article{RaueWambachGloeggleretal.2014, author = {Raue, Markus and Wambach, M. and Gl{\"o}ggler, S. and Grefen, Dana and Kaufmann, R. and Abetz, C. and Georgopanos, P. and Handge, U. A. and Mang, Thomas and Bl{\"u}mich, B. and Abetz, V.}, title = {Investigation of historical hard rubber ornaments of Charles Goodyear}, series = {Macromolecular chemistry and physics}, volume = {Vol. 215}, journal = {Macromolecular chemistry and physics}, number = {No. 3}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1022-1352}, pages = {245 -- 254}, year = {2014}, language = {en} } @article{MangKolzMartinsetal.2006, author = {Mang, Thomas and Kolz, J. and Martins, J. and Kremer, K.}, title = {Investigation of Elastomer Foams by Single-Sided NMR / Kolz, J. ; Martins, J. ; Kremer, K. ; Bl{\"u}mich, B. ; Mang, Thomas}, series = {Kurzfassungen : 3. bis 6. Juli 2006, N{\"u}rnberg = Summaries / Deutsche Kautschuk Tagung, 3.7.-6.7.2006}, journal = {Kurzfassungen : 3. bis 6. Juli 2006, N{\"u}rnberg = Summaries / Deutsche Kautschuk Tagung, 3.7.-6.7.2006}, publisher = {DKG, Dt. Kautschuk-Ges.}, address = {Frankfurt, Main}, pages = {33}, year = {2006}, language = {en} } @article{ElbersBehnerRemmeetal.1986, author = {Elbers, Gereon and Behner, T. and Remme, S. and Prissok, F.}, title = {Interstitial Metal Impurities as a Possible Cause of Enhanced Reactivities / T. Behner, G. Elbers, S. Remme, F. Prissok, P. Stegger, and G. Lehmann}, series = {Berichte der Bunsen-Gesellschaft : physical chemistry, chemical physics. 90 (1986)}, journal = {Berichte der Bunsen-Gesellschaft : physical chemistry, chemical physics. 90 (1986)}, isbn = {0005-9021}, pages = {698}, year = {1986}, language = {en} }