TY - JOUR A1 - Burger, René A1 - Rumpf, Jessica A1 - Do, Xuan Tung A1 - Monakhova, Yulia A1 - Diehl, Bernd W. K. A1 - Rehahn, Matthias A1 - Schulze, Margit T1 - Is NMR combined with multivariate regression applicable for the molecular weight determination of randomly cross-linked polymers such as lignin? JF - ACS Omega N2 - 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. Y1 - 2021 U6 - https://doi.org/10.1021/acsomega.1c03574 SN - 2470-1343 VL - 6 IS - 44 SP - 29516 EP - 29524 PB - ACS Publications CY - Washington, DC ER - TY - JOUR A1 - Lindner, Simon A1 - Burger, René A1 - Rutledge, Douglas N. A1 - Do, Xuan Tung A1 - Rumpf, Jessica A1 - Diehl, Bernd W. K. A1 - Schulze, Margit A1 - Monakhova, Yulia T1 - Is the calibration transfer of multivariate calibration models between high- and low-field NMR instruments possible? A case study of lignin molecular weight JF - Analytical chemistry N2 - Although several successful applications of benchtop nuclear magnetic resonance (NMR) spectroscopy in quantitative mixture analysis exist, the possibility of calibration transfer remains mostly unexplored, especially between high- and low-field NMR. This study investigates for the first time the calibration transfer of partial least squares regressions [weight average molecular weight (Mw) of lignin] between high-field (600 MHz) NMR and benchtop NMR devices (43 and 60 MHz). For the transfer, piecewise direct standardization, calibration transfer based on canonical correlation analysis, and transfer via the extreme learning machine auto-encoder method are employed. Despite the immense resolution difference between high-field and low-field NMR instruments, the results demonstrate that the calibration transfer from high- to low-field is feasible in the case of a physical property, namely, the molecular weight, achieving validation errors close to the original calibration (down to only 1.2 times higher root mean square errors). These results introduce new perspectives for applications of benchtop NMR, in which existing calibrations from expensive high-field instruments can be transferred to cheaper benchtop instruments to economize. Y1 - 2022 SN - 1520-6882 U6 - https://doi.org/10.1021/acs.analchem.1c05125 VL - 94 IS - 9 SP - 3997 EP - 4004 PB - ACS Publications CY - Washington, DC ER - TY - JOUR A1 - Havermann, Marc A1 - Moeglin, J.-P. T1 - ISL's Research on Systems with Controlled Effects for Non-Lethal Applications / Moeglin, J.-P. ; Havermann, M. et al. JF - Non-lethal options enhancing security and stability : 3rd European Symposium on Non-Lethal Weapons, May 10 - 12, 2005, Ettlingen, Germany / ICT, Fraunhofer-Institut Chemische Technologie; European Working Group Non-Lethal Weapons Y1 - 2005 N1 - European Symposium on Non-Lethal Weapons ; (3 ; 2005.5.10-12 ; Ettlingen); P 35 PB - ICT CY - Pfinztal ER - TY - JOUR A1 - Kalbe, Jochen A1 - Kuropka, Rolf A1 - Meyer-Stork, L. Sebastian A1 - Berndt, Heinz A1 - Sauter, Sybille L. A1 - Loss, Peter A1 - Hendo, Karsten A1 - Riesner, Detlev A1 - Höcker, Hartwig T1 - Isolation and characterization of high-molecular mass DNA from hair shafts JF - Biological chemistry Y1 - 1988 SN - 0177-3593 U6 - https://doi.org/10.1515/bchm3.1988.369.1.413 VL - 369 IS - 1 SP - 413 EP - 416 ER - TY - JOUR A1 - Müller-Veggian, Mattea A1 - Beuscher, H. A1 - Gono, Y. T1 - Isomeric 10⁺ states in nuclei with N=78 JF - Proceedings of the International Conference on Nuclear Structure : Tokyo, Sept. 5 - 10, 1977 / ed. by T. Marumori. - Journal of the Physical Society of Japan ; Vol. 44, 1978 : Suppl. Y1 - 1978 N1 - International Conference on Nuclear Structure <1977, Tokyo> SP - 861 PB - Physical Soc. of Japan CY - Tokyo ER - TY - JOUR A1 - Müller-Veggian, Mattea A1 - Morek, T. A1 - Bochev, B. A1 - Kutsarova, T. T1 - Isomeric state in ¹³⁴ La JF - Annual report 1980 / Kernforschungsanlage Jülich Institut für Kernphysik / Hrsg.: F. Grümmer. - (Spezielle Berichte der Kernforschungsanlage Jülich ; 99) Y1 - 1981 SP - 47 PB - Kernforschungsanlage CY - Jülich ER - TY - JOUR A1 - Müller-Veggian, Mattea A1 - Morek, T. A1 - Bochev, B. A1 - Kutsarova, T. T1 - Isomeric state in ¹³⁶ La JF - Annual report 1980 / Kernforschungsanlage Jülich Institut für Kernphysik / Hrsg.: F. Grümmer. - (Spezielle Berichte der Kernforschungsanlage Jülich ; 99) Y1 - 1981 SP - 48 PB - Kernforschungsanlage CY - Jülich ER - TY - JOUR A1 - Müller-Veggian, Mattea A1 - Morek, T. A1 - Beuscher, H. A1 - Bochev, B. T1 - Isomeric states in ¹³⁴ Ba JF - Zeitschrift für Physik / A, Hadrons and nuclei. 298 (1980), H. 4 Y1 - 1980 SN - 1431-5831 SP - 267 EP - 271 ER - TY - JOUR A1 - Müller-Veggian, Mattea A1 - Morek, T. A1 - Beuscher, H. A1 - Bochev, B. T1 - Isomeric states in ¹³⁴ Ba JF - Annual report 1979 / Kernforschungsanlage Jülich Institut für Kernphysik / Hrsg.: A. Fässler. - (Spezielle Berichte der Kernforschungsanlage Jülich ; 72) Y1 - 1980 SP - 44 PB - Kernforschungsanlage CY - Jülich ER - TY - JOUR A1 - Pietsch, Wolfram T1 - IT Service Deployment JF - QFD : transactions from International Symposium on QFD 2007 - Williamsburg, the Nineteenth Symposium on Quality Function Deployment ; September 7 - 8, 2007, Williamsburg, VA ; [companion document to the Thirteenth International and Nineteenth North American Symposium on Quality Function Deployment (ISQFD'07)] / [organized and hosted by the QFD Institute] Y1 - 2007 SN - 1-889477-19-2 N1 - QFD 2007, 19th Symposium on Quality Function Deployment, Williamsburg, VA, US, Sep 7-8, 2007 SP - 203 EP - 212 PB - QFD Inst. CY - Ann Arbor, Mich. ER - TY - JOUR A1 - Ziemons, Karl A1 - Herzog, H. A1 - Feinendegen, L. E. T1 - Iterative image reconstruction with weighted pixel contribution to projection element JF - European Journal of Nuclear Medicine Y1 - 1990 SN - 1619-7089 N1 - Abstracts of the European Association of Nuclear Medicine Congress ; V52 VL - 16 IS - 7 SP - 403 EP - 403 ER - TY - JOUR A1 - Ziemons, Karl A1 - Herzog, H. A1 - Bosetti, P. A1 - Feinendegen, L. E. T1 - Iterative image reconstruction with weighted pixel contribution to projection elements JF - European Journal of Nuclear Medicine Y1 - 1992 SN - 1619-7089 N1 - Abstracts of the European Association of Nuclear Medicine Congress 23–26 August 1992 Lisboa, Portugal ; V143-2 VL - 19 IS - 8 SP - 588 EP - 588 ER - TY - JOUR A1 - Moosdorf, Andreas T1 - It’s not just the Talent, it’s the Knowledge Transfer Method JF - GC Ticker Y1 - 2009 IS - 1 SP - 16 EP - 16 ER - TY - JOUR A1 - Ziemons, Karl T1 - Jet production and fragmentation properties in deep inelastic muon scattering JF - Zeitschrift für Physik C : Particles and Fields Y1 - 1987 SN - 0170-9739 N1 - European Muon Collaboration VL - 36 IS - 4 SP - 527 EP - 543 ER - TY - JOUR A1 - Berghoff, G. A1 - Lanske, D. A1 - Schultze, K. A1 - Ziemons, Karl T1 - Jets and QCD-effects in muon-nuclean scattering JF - Verhandlungen der Deutschen Physikalischen Gesellschaft Y1 - 1988 SN - 0420-0195 VL - 23 IS - 5 ER - TY - JOUR A1 - Gligorevic, Snjezana T1 - Joint channel estimation and equalisation of fast time-varying frequency-selective channels JF - European transactions on telecommunications Y1 - 2008 SN - 1541-8251; 2161-3915; 1120-3862; 1124-318X VL - Vol. 19 IS - Iss. 1 SP - 1 EP - 13 ER - TY - JOUR A1 - Kempt, Hendrik A1 - Freyer, Nils A1 - Nagel, Saskia K. T1 - Justice and the normative standards of explainability in healthcare JF - Philosophy & Technology N2 - Providing healthcare services frequently involves cognitively demanding tasks, including diagnoses and analyses as well as complex decisions about treatments and therapy. From a global perspective, ethically significant inequalities exist between regions where the expert knowledge required for these tasks is scarce or abundant. One possible strategy to diminish such inequalities and increase healthcare opportunities in expert-scarce settings is to provide healthcare solutions involving digital technologies that do not necessarily require the presence of a human expert, e.g., in the form of artificial intelligent decision-support systems (AI-DSS). Such algorithmic decision-making, however, is mostly developed in resource- and expert-abundant settings to support healthcare experts in their work. As a practical consequence, the normative standards and requirements for such algorithmic decision-making in healthcare require the technology to be at least as explainable as the decisions made by the experts themselves. The goal of providing healthcare in settings where resources and expertise are scarce might come with a normative pull to lower the normative standards of using digital technologies in order to provide at least some healthcare in the first place. We scrutinize this tendency to lower standards in particular settings from a normative perspective, distinguish between different types of absolute and relative, local and global standards of explainability, and conclude by defending an ambitious and practicable standard of local relative explainability. KW - Clinical decision support systems KW - Justice KW - Medical AI KW - Explainability KW - Normative standards Y1 - 2022 U6 - https://doi.org/10.1007/s13347-022-00598-0 VL - 35 IS - Article number: 100 SP - 1 EP - 19 PB - Springer Nature CY - Berlin ER - TY - JOUR A1 - Mourzina, Y. A1 - Mai, T. A1 - Poghossian, Arshak A1 - Ermolenko, Y. A1 - Yoshinobu, T. A1 - Vlasov, Y. A1 - Iwasaki, H. A1 - Schöning, Michael Josef T1 - K+-selective field-effect sensors as transducers for bioelectronic applications JF - Electrochimica Acta. 48 (2003), H. 20-22 Y1 - 2003 SN - 0013-4686 SP - 3333 EP - 3339 ER - TY - JOUR A1 - Hillen, Walter T1 - K0 production in e+e− annihilations at 30 GeV center of mass energy. TASSO Collaboration JF - Physics Letters B. 94 (1980), H. 1 Y1 - 1980 SN - 0370-2693 SP - 91 EP - 95 ER - TY - JOUR A1 - Engelmann, Ulrich M. A1 - Simsek, Beril A1 - Shalaby, Ahmed A1 - Krause, Hans-Joachim T1 - Key contributors to signal generation in frequency mixing magnetic detection (FMMD): an in silico study JF - Sensors N2 - Frequency mixing magnetic detection (FMMD) is a sensitive and selective technique to detect magnetic nanoparticles (MNPs) serving as probes for binding biological targets. Its principle relies on the nonlinear magnetic relaxation dynamics of a particle ensemble interacting with a dual frequency external magnetic field. In order to increase its sensitivity, lower its limit of detection and overall improve its applicability in biosensing, matching combinations of external field parameters and internal particle properties are being sought to advance FMMD. In this study, we systematically probe the aforementioned interaction with coupled Néel–Brownian dynamic relaxation simulations to examine how key MNP properties as well as applied field parameters affect the frequency mixing signal generation. It is found that the core size of MNPs dominates their nonlinear magnetic response, with the strongest contributions from the largest particles. The drive field amplitude dominates the shape of the field-dependent response, whereas effective anisotropy and hydrodynamic size of the particles only weakly influence the signal generation in FMMD. For tailoring the MNP properties and parameters of the setup towards optimal FMMD signal generation, our findings suggest choosing large particles of core sizes dc > 25 nm nm with narrow size distributions (σ < 0.1) to minimize the required drive field amplitude. This allows potential improvements of FMMD as a stand-alone application, as well as advances in magnetic particle imaging, hyperthermia and magnetic immunoassays. KW - key performance indicators KW - magnetic biosensing KW - coupled Néel–Brownian relaxation dynamics KW - frequency mixing magnetic detection KW - magnetic relaxation KW - micromagnetic simulation KW - magnetic nanoparticles Y1 - 2024 U6 - https://doi.org/10.3390/s24061945 SN - 1424-8220 N1 - This article belongs to the Special Issue "Advances in Magnetic Sensors and Their Applications" VL - 24 IS - 6 PB - MDPI CY - Basel ER -