TY - JOUR A1 - Neumaier, Felix A1 - Weiss, Miriam A1 - Veldeman, Michael A1 - Kotliar, Konstantin A1 - Wiesmann, Martin A1 - Schulze-Steinen, Henna A1 - Höllig, Anke A1 - Clusmann, Hans A1 - Schubert, Gerrit Alexander A1 - Albanna, Walid T1 - Changes in endogenous daytime melatonin levels after aneurysmal subarachnoid hemorrhage – preliminary findings from an observational cohort study JF - Clinical Neurology and Neurosurgery N2 - Aneurysmal subarachnoid hemorrhage (aSAH) is associated with early and delayed brain injury due to several underlying and interrelated processes, which include inflammation, oxidative stress, endothelial, and neuronal apoptosis. Treatment with melatonin, a cytoprotective neurohormone with anti-inflammatory, anti-oxidant and anti-apoptotic effects, has been shown to attenuate early brain injury (EBI) and to prevent delayed cerebral vasospasm in experimental aSAH models. Less is known about the role of endogenous melatonin for aSAH outcome and how its production is altered by the pathophysiological cascades initiated during EBI. In the present observational study, we analyzed changes in melatonin levels during the first three weeks after aSAH. KW - constructive alignment KW - examination KW - long-term retention KW - multimodal KW - practical learning Y1 - 2021 U6 - https://doi.org/10.1016/j.clineuro.2021.106870 SN - 0303-8467 VL - 208 IS - Article No.: 106870 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Kuerten, David A1 - Kotliar, Konstantin A1 - Fuest, Matthias A1 - Walter, Peter A1 - Hollstein, Muriel A1 - Plange, Niklas ED - Neri, Piergiorgio T1 - Does hemispheric vascular regulation differ significantly in glaucoma patients with altitudinal visual field asymmetry? A single-center, prospective study JF - International Ophthalmology N2 - Purpose Vascular risk factors and ocular perfusion are heatedly discussed in the pathogenesis of glaucoma. The retinal vessel analyzer (RVA, IMEDOS Systems, Germany) allows noninvasive measurement of retinal vessel regulation. Significant differences especially in the veins between healthy subjects and patients suffering from glaucoma were previously reported. In this pilot-study we investigated if localized vascular regulation is altered in glaucoma patients with altitudinal visual field defect asymmetry. Methods 15 eyes of 12 glaucoma patients with advanced altitudinal visual field defect asymmetry were included. The mean defect was calculated for each hemisphere separately (-20.99 ± 10.49 pro- found hemispheric visual field defect vs -7.36 ± 3.97 dB less profound hemisphere). After pupil dilation, RVA measurements of retinal arteries and veins were conducted using the standard protocol. The superior and inferior retinal vessel reactivity were measured consecutively in each eye. Results Significant differences were recorded in venous vessel constriction after flicker light stimulation and overall amplitude of the reaction (p \ 0.04 and p \ 0.02 respectively) in-between the hemispheres spheres. Vessel reaction was higher in the hemisphere corresponding to the more advanced visual field defect. Arterial diameters reacted similarly, failing to reach statistical significance. Conclusion Localized retinal vessel regulation is significantly altered in glaucoma patients with asymmetri altitudinal visual field defects. Veins supplying the hemisphere concordant to a less profound visual field defect show diminished diameter changes. Vascular dysregulation might be particularly important in early glaucoma stages prior to a significant visual field defect. KW - Glaucoma KW - Visual field asymmetry KW - Ocular blood flow KW - RVA KW - Vascular response Y1 - 2021 SN - 1573-2630 U6 - https://doi.org/10.1007/s10792-021-01876-0 VL - 41 IS - 41 SP - 3109 EP - 3119 PB - Springer CY - Berlin ER - TY - JOUR A1 - Albanna, Walid A1 - Conzen, Catharina A1 - Weiss, Miriam A1 - Seyfried, Katharina A1 - Kotliar, Konstantin A1 - Schmidt, Tobias Philip A1 - Kuerten, David A1 - Hescheler, Jürgen A1 - Bruecken, Anne A1 - Schmidt-Trucksäss, Arno A1 - Neumaier, Felix A1 - Wiesmann, Martin A1 - Clusmann, Hans A1 - Schubert, Gerrit Alexander T1 - Non-invasive assessment of neurovascular coupling after aneurysmal subarachnoid hemorrhage: a prospective observational trial using retinal vessel analysis JF - Frontiers in Neurology N2 - Delayed cerebral ischemia (DCI) is a common complication after aneurysmal subarachnoid hemorrhage (aSAH) and can lead to infarction and poor clinical outcome. The underlying mechanisms are still incompletely understood, but animal models indicate that vasoactive metabolites and inflammatory cytokines produced within the subarachnoid space may progressively impair and partially invert neurovascular coupling (NVC) in the brain. Because cerebral and retinal microvasculature are governed by comparable regulatory mechanisms and may be connected by perivascular pathways, retinal vascular changes are increasingly recognized as a potential surrogate for altered NVC in the brain. Here, we used non-invasive retinal vessel analysis (RVA) to assess microvascular function in aSAH patients at different times after the ictus. Y1 - 2021 U6 - https://doi.org/10.3389/fneur.2021.690183 SN - 1664-2295 VL - 12 IS - 12 SP - 1 EP - 15 ER - TY - JOUR A1 - Neumaier, Felix A1 - Kotliar, Konstantin A1 - Haeren, Roel Hubert Louis A1 - Temel, Yasin A1 - Lüke, Jan Niklas A1 - Seyam, Osama A1 - Lindauer, Ute A1 - Clusmann, Hans A1 - Hescheler, Jürgen A1 - Schubert, Gerrit Alexander A1 - Schneider, Toni A1 - Albanna, Walid T1 - Retinal Vessel Responses to Flicker Stimulation Are Impaired in Ca v 2.3-Deficient Mice—An in- vivo Evaluation Using Retinal Vessel Analysis (RVA) JF - Frontiers in Neurology Y1 - 2021 U6 - https://doi.org/10.3389/fneur.2021.659890 VL - 12 SP - 1 EP - 11 PB - Frontiers ER - TY - JOUR A1 - Fiedler, Thomas M. A1 - Orzada, Stephan A1 - Flöser, Martina A1 - Rietsch, Stefan H. G. A1 - Quick, Harald H. A1 - Ladd, Mark E. A1 - Bitz, Andreas T1 - Performance analysis of integrated RF microstrip transmit antenna arrays with high channel count for body imaging at 7 T JF - NMR in Biomedicine N2 - The aim of the current study was to investigate the performance of integrated RF transmit arrays with high channel count consisting of meander microstrip antennas for body imaging at 7 T and to optimize the position and number of transmit ele- ments. RF simulations using multiring antenna arrays placed behind the bore liner were performed for realistic exposure conditions for body imaging. Simulations were performed for arrays with as few as eight elements and for arrays with high channel counts of up to 48 elements. The B1+ field was evaluated regarding the degrees of freedom for RF shimming in the abdomen. Worst-case specific absorption rate (SARwc ), SAR overestimation in the matrix compression, the number of virtual obser- vation points (VOPs) and SAR efficiency were evaluated. Constrained RF shimming was performed in differently oriented regions of interest in the body, and the devia- tion from a target B1+ field was evaluated. Results show that integrated multiring arrays are able to generate homogeneous B1+ field distributions for large FOVs, espe- cially for coronal/sagittal slices, and thus enable body imaging at 7 T with a clinical workflow; however, a low duty cycle or a high SAR is required to achieve homoge- neous B1+ distributions and to exploit the full potential. In conclusion, integrated arrays allow for high element counts that have high degrees of freedom for the pulse optimization but also produce high SARwc , which reduces the SAR accuracy in the VOP compression for low-SAR protocols, leading to a potential reduction in array performance. Smaller SAR overestimations can increase SAR accuracy, but lead to a high number of VOPs, which increases the computational cost for VOP evaluation and makes online SAR monitoring or pulse optimization challenging. Arrays with interleaved rings showed the best results in the study. KW - body imaging at UHF MRI KW - integrated transmit coil arrays KW - VOP compression Y1 - 2021 U6 - https://doi.org/10.1002/nbm.4515 SN - 0952-3480 (ISSN) SN - 1099-1492 (eISSN) VL - 34 IS - 7 PB - Wiley CY - Weinheim ER - TY - JOUR A1 - Temiz Artmann, Aysegül A1 - Kurulgan demirci, Eylem A1 - Fırat, Ipek Seda A1 - Oflaz, Hakan A1 - Artmann, Gerhard T1 - Recombinant activated protein C (rhAPC) affects lipopolysaccharide-induced mechanical compliance changes and beat frequency of mESC-derived cardiomyocyte monolayers JF - SHOCK KW - Septic cardiomyopathy KW - LPS KW - cardiomyocyte biomechanics KW - CellDrum KW - actin cytoskeleton Y1 - 2021 U6 - https://doi.org/10.1097/SHK.0000000000001845 SN - 1540-0514 PB - Wolters Kluwer CY - Köln ER - TY - JOUR A1 - Dickhoff, Jens A1 - Horikawa, Atsushi A1 - Funke, Harald T1 - Hydrogen Combustion - new DLE Combustor Addresses NOx Emissions and Flashback JF - Turbomachinery international : the global journal of energy equipment Y1 - 2021 SN - 2767-2328 SN - 0149-4147 VL - 62 IS - 4 SP - 26 EP - 27 PB - MJH Life Sciences CY - Cranbury ER - TY - JOUR A1 - Alexyuk, Madina A1 - Bogoyavlenskiy, Andrey A1 - Alexyuk, Pavel A1 - Moldakhanov, Yergali A1 - Berezin, Vladimir A1 - Digel, Ilya T1 - Epipelagic microbiome of the Small Aral Sea: Metagenomic structure and ecological diversity JF - MicrobiologyOpen N2 - Microbial diversity studies regarding the aquatic communities that experienced or are experiencing environmental problems are essential for the comprehension of the remediation dynamics. In this pilot study, we present data on the phylogenetic and ecological structure of microorganisms from epipelagic water samples collected in the Small Aral Sea (SAS). The raw data were generated by massive parallel sequencing using the shotgun approach. As expected, most of the identified DNA sequences belonged to Terrabacteria and Actinobacteria (40% and 37% of the total reads, respectively). The occurrence of Deinococcus-Thermus, Armatimonadetes, Chloroflexi in the epipelagic SAS waters was less anticipated. Surprising was also the detection of sequences, which are characteristic for strict anaerobes—Ignavibacteria, hydrogen-oxidizing bacteria, and archaeal methanogenic species. We suppose that the observed very broad range of phylogenetic and ecological features displayed by the SAS reads demonstrates a more intensive mixing of water masses originating from diverse ecological niches of the Aral-Syr Darya River basin than presumed before. KW - ecological structure KW - metagenomics KW - microbial diversity KW - shotgun sequencing KW - Small Aral Sea Y1 - 2021 U6 - https://doi.org/10.1002/mbo3.1142 SN - 2045-8827 N1 - Corresponding author: Ilya Digel VL - 10 IS - 1 SP - 1 EP - 10 PB - Wiley CY - Weinheim ER - TY - JOUR A1 - Seefeldt, Patric A1 - Dachwald, Bernd T1 - Temperature increase on folded solar sail membranes JF - Advances in Space Research Y1 - 2021 U6 - https://doi.org/10.1016/j.asr.2020.09.026 SN - 0273-1177 VL - 67 IS - 9 SP - 2688 EP - 2695 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Valero, Daniel A1 - Schalko, Isabella A1 - Friedrich, Heide A1 - Abad, Jorge D. A1 - Bung, Daniel Bernhard A1 - Donchyts, Gennadii A1 - Felder, Stefan A1 - Ferreira, Rui M. L. A1 - Hohermuth, Benjamin A1 - Kramer, Matthias A1 - Li, Danxun A1 - Mendes, Luis A1 - Moreno-Rodenas, Antonio A1 - Nones, Michael A1 - Paron, Paolo A1 - Ruiz-Villanueva, Virginia A1 - Wang, Ruo-Qian A1 - Franca, Mario J. T1 - Pathways towards democratization of hydro-environment observations and data JF - Iahr White Paper Series Y1 - 2021 IS - 1 SP - 1 EP - 9 PB - International Association for Hydro-Environment Engineering and Research (IAHR) ER - TY - JOUR A1 - German, Laura A1 - Mikucki, Jill A. A1 - Welch, Susan A. A1 - Welch, Kathleen A. A1 - Lutton, Anthony A1 - Dachwald, Bernd A1 - Kowalski, Julia A1 - Heinen, Dirk A1 - Feldmann, Marco A1 - Francke, Gero A1 - Espe, Clemens A1 - Lyons, W. Berry T1 - Validation of sampling antarctic subglacial hypersaline waters with an electrothermal ice melting probe (IceMole) for environmental analytical geochemistry JF - International Journal of Environmental Analytical Chemistry N2 - Geochemical characterisation of hypersaline waters is difficult as high concentrations of salts hinder the analysis of constituents at low concentrations, such as trace metals, and the collection of samples for trace metal analysis in natural waters can be easily contaminated. This is particularly the case if samples are collected by non-conventional techniques such as those required for aquatic subglacial environments. In this paper we present the first analysis of a subglacial brine from Taylor Valley, (~ 78°S), Antarctica for the trace metals: Ba, Co, Mo, Rb, Sr, V, and U. Samples were collected englacially using an electrothermal melting probe called the IceMole. This probe uses differential heating of a copper head as well as the probe’s sidewalls and an ice screw at the melting head to move through glacier ice. Detailed blanks, meltwater, and subglacial brine samples were collected to evaluate the impact of the IceMole and the borehole pump, the melting and collection process, filtration, and storage on the geochemistry of the samples collected by this device. Comparisons between melt water profiles through the glacier ice and blank analysis, with published studies on ice geochemistry, suggest the potential for minor contributions of some species Rb, As, Co, Mn, Ni, NH4+, and NO2−+NO3− from the IceMole. The ability to conduct detailed chemical analyses of subglacial fluids collected with melting probes is critical for the future exploration of the hundreds of deep subglacial lakes in Antarctica. Y1 - 2021 U6 - https://doi.org/10.1080/03067319.2019.1704750 SN - 0306-7319 VL - 101 IS - 15 SP - 2654 EP - 2667 PB - Taylor & Francis CY - London ER - TY - JOUR A1 - Köhler, Klemens A1 - Röpke, René A1 - Wolf, Martin R. T1 - Through a mirror darkly – On the obscurity of teaching goals in game-based learning in IT security JF - ISAGA 2019: Simulation Gaming Through Times and Disciplines N2 - Teachers and instructors use very specific language communicating teaching goals. The most widely used frameworks of common reference are the Bloom’s Taxonomy and the Revised Bloom’s Taxonomy. The latter provides distinction of 209 different teaching goals which are connected to methods. In Competence Developing Games (CDGs - serious games to convey knowledge) and in IT security education, a two- or three level typology exists, reducing possible learning outcomes to awareness, training, and education. This study explores whether this much simpler framework succeeds in achieving the same range of learning outcomes. Method wise a keyword analysis was conducted. The results were threefold: 1. The words used to describe teaching goals in CDGs on IT security education do not reflect the whole range of learning outcomes. 2. The word choice is nevertheless different from common language, indicating an intentional use of language. 3. IT security CDGs use different sets of terms to describe learning outcomes, depending on whether they are awareness, training, or education games. The interpretation of the findings is that the reduction to just three types of CDGs reduces the capacity to communicate and think about learning outcomes and consequently reduces the outcomes that are intentionally achieved. KW - IT security education KW - Competence Developing Games KW - Game-based learning KW - Keyword analysis KW - Bloom’s Taxonomy Y1 - 2021 U6 - https://doi.org/10.1007/978-3-030-72132-9_6 N1 - ISAGA 2019 - International Simulation and Gaming Association Conference. 26-30 August 2019. Warsaw, Poland. Part of the Lecture Notes in Computer Science book series (LNCS, volume 11988) SP - 61 EP - 73 PB - Springer CY - Cham ER - TY - JOUR A1 - Jablonski, Melanie A1 - Poghossian, Arshak A1 - Keusgen, Michael A1 - Wege, Christina A1 - Schöning, Michael Josef T1 - Detection of plant virus particles with a capacitive field-effect sensor JF - Analytical and Bioanalytical Chemistry N2 - Plant viruses are major contributors to crop losses and induce high economic costs worldwide. For reliable, on-site and early detection of plant viral diseases, portable biosensors are of great interest. In this study, a field-effect SiO2-gate electrolyte-insulator-semiconductor (EIS) sensor was utilized for the label-free electrostatic detection of tobacco mosaic virus (TMV) particles as a model plant pathogen. The capacitive EIS sensor has been characterized regarding its TMV sensitivity by means of constant-capacitance method. The EIS sensor was able to detect biotinylated TMV particles from a solution with a TMV concentration as low as 0.025 nM. A good correlation between the registered EIS sensor signal and the density of adsorbed TMV particles assessed from scanning electron microscopy images of the SiO2-gate chip surface was observed. Additionally, the isoelectric point of the biotinylated TMV particles was determined via zeta potential measurements and the influence of ionic strength of the measurement solution on the TMV-modified EIS sensor signal has been studied. KW - Plant virus KW - Capacitive field-effect sensor KW - Tobacco mosaic virus (TMV) KW - Label-free detection KW - Zeta potential Y1 - 2021 U6 - https://doi.org/10.1007/s00216-021-03448-8 SN - 1618-2650 N1 - Corresponding authors: Arshak Poghossian & Michael J. Schöning VL - 413 SP - 5669 EP - 5678 PB - Springer Nature CY - Cham ER - TY - JOUR A1 - Poghossian, Arshak A1 - Schöning, Michael Josef T1 - Recent progress in silicon-based biologically sensitive field-effect devices JF - Current Opinion in Electrochemistry N2 - Biologically sensitive field-effect devices (BioFEDs) advantageously combine the electronic field-effect functionality with the (bio)chemical receptor’s recognition ability for (bio)chemical sensing. In this review, basic and widely applied device concepts of silicon-based BioFEDs (ion-sensitive field-effect transistor, silicon nanowire transistor, electrolyte-insulator-semiconductor capacitor, light-addressable potentiometric sensor) are presented and recent progress (from 2019 to early 2021) is discussed. One of the main advantages of BioFEDs is the label-free sensing principle enabling to detect a large variety of biomolecules and bioparticles by their intrinsic charge. The review encompasses applications of BioFEDs for the label-free electrical detection of clinically relevant protein biomarkers, deoxyribonucleic acid molecules and viruses, enzyme-substrate reactions as well as recording of the cell acidification rate (as an indicator of cellular metabolism) and the extracellular potential. Y1 - 2021 U6 - https://doi.org/10.1016/j.coelec.2021.100811 SN - 2451-9103 IS - Article number: 100811 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Grieger, Niklas A1 - Schwabedal, Justus T. C. A1 - Wendel, Stefanie A1 - Ritze, Yvonne A1 - Bialonski, Stephan T1 - Automated scoring of pre-REM sleep in mice with deep learning JF - Scientific Reports N2 - Reliable automation of the labor-intensive manual task of scoring animal sleep can facilitate the analysis of long-term sleep studies. In recent years, deep-learning-based systems, which learn optimal features from the data, increased scoring accuracies for the classical sleep stages of Wake, REM, and Non-REM. Meanwhile, it has been recognized that the statistics of transitional stages such as pre-REM, found between Non-REM and REM, may hold additional insight into the physiology of sleep and are now under vivid investigation. We propose a classification system based on a simple neural network architecture that scores the classical stages as well as pre-REM sleep in mice. When restricted to the classical stages, the optimized network showed state-of-the-art classification performance with an out-of-sample F1 score of 0.95 in male C57BL/6J mice. When unrestricted, the network showed lower F1 scores on pre-REM (0.5) compared to the classical stages. The result is comparable to previous attempts to score transitional stages in other species such as transition sleep in rats or N1 sleep in humans. Nevertheless, we observed that the sequence of predictions including pre-REM typically transitioned from Non-REM to REM reflecting sleep dynamics observed by human scorers. Our findings provide further evidence for the difficulty of scoring transitional sleep stages, likely because such stages of sleep are under-represented in typical data sets or show large inter-scorer variability. We further provide our source code and an online platform to run predictions with our trained network. Y1 - 2021 U6 - https://doi.org/10.1038/s41598-021-91286-0 SN - 2045-2322 N1 - Corresponding author: Stephan Bialonski VL - 11 IS - Art. 12245 PB - Springer Nature CY - London ER - TY - JOUR A1 - Ball, Christopher Stephen A1 - Vögele, Stefan A1 - Grajewski, Matthias A1 - Kuckshinrichs, Wilhelm T1 - E-mobility from a multi-actor point of view: Uncertainties and their impacts JF - Technological Forecasting and Social Change Y1 - 2021 SN - 0040-1625 U6 - https://doi.org/10.1016/j.techfore.2021.120925 VL - 170 IS - Art. 120925 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Jablonski, Melanie A1 - Poghossian, Arshak A1 - Severin, Robin A1 - Keusgen, Michael A1 - Wege, Christian A1 - Schöning, Michael Josef T1 - Capacitive Field-Effect Biosensor Studying Adsorption of Tobacco Mosaic Virus Particles JF - Micromachines N2 - Plant virus-like particles, and in particular, tobacco mosaic virus (TMV) particles, are increasingly being used in nano- and biotechnology as well as for biochemical sensing purposes as nanoscaffolds for the high-density immobilization of receptor molecules. The sensitive parameters of TMV-assisted biosensors depend, among others, on the density of adsorbed TMV particles on the sensor surface, which is affected by both the adsorption conditions and surface properties of the sensor. In this work, Ta₂O₅-gate field-effect capacitive sensors have been applied for the label-free electrical detection of TMV adsorption. The impact of the TMV concentration on both the sensor signal and the density of TMV particles adsorbed onto the Ta₂O₅-gate surface has been studied systematically by means of field-effect and scanning electron microscopy methods. In addition, the surface density of TMV particles loaded under different incubation times has been investigated. Finally, the field-effect sensor also demonstrates the label-free detection of penicillinase immobilization as model bioreceptor on TMV particles. KW - capacitive field-effect sensor KW - plant virus detection KW - tobacco mosaic virus (TMV) KW - TMV adsorption KW - Ta₂O₅ gate Y1 - 2021 U6 - https://doi.org/10.3390/mi12010057 VL - 12 IS - 1 PB - MDPI CY - Basel ER - TY - JOUR A1 - Harzheim, Thomas A1 - Mühmel, Marc A1 - Heuermann, Holger T1 - A SFCW harmonic radar system for maritime search and rescue using passive and active tags JF - International Journal of Microwave and Wireless Technologies N2 - This paper introduces a new maritime search and rescue system based on S-band illumination harmonic radar (HR). Passive and active tags have been developed and tested while attached to life jackets and a small boat. In this demonstration test carried out on the Baltic Sea, the system was able to detect and range the active tags up to a distance of 5800 m using an illumination signal transmit-power of 100 W. Special attention is given to the development, performance, and conceptual differences between passive and active tags used in the system. Guidelines for achieving a high HR dynamic range, including a system components description, are given and a comparison with other HR systems is performed. System integration with a commercial maritime X-band navigation radar is shown to demonstrate a solution for rapid search and rescue response and quick localization. KW - Radar KW - microwave measurements KW - harmonic radar KW - harmonic radar tags KW - nonlinear VNA measurements Y1 - 2021 U6 - https://doi.org/10.1017/S1759078721000520 VL - 13 IS - Special Issue 7 SP - 691 EP - 707 PB - Cambridge University Press CY - Cambridge ER - TY - JOUR A1 - Monakhova, Yulia A1 - Diehl, Bernd W.K. T1 - Novel approach of qNMR workflow by standardization using 2H integral: Application to any intrinsic calibration standard JF - Talanta N2 - Quantitative nuclear magnetic resonance (qNMR) is routinely performed by the internal or external standardization. The manuscript describes a simple alternative to these common workflows by using NMR signal of another active nuclei of calibration compound. For example, for any arbitrary compound quantification by NMR can be based on the use of an indirect concentration referencing that relies on a solvent having both 1H and 2H signals. To perform high-quality quantification, the deuteration level of the utilized deuterated solvent has to be estimated. In this contribution the new method was applied to the determination of deuteration levels in different deuterated solvents (MeOD, ACN, CDCl3, acetone, benzene, DMSO-d6). Isopropanol-d6, which contains a defined number of deuterons and protons, was used for standardization. Validation characteristics (precision, accuracy, robustness) were calculated and the results showed that the method can be used in routine practice. Uncertainty budget was also evaluated. In general, this novel approach, using standardization by 2H integral, benefits from reduced sample preparation steps and uncertainties, and can be applied in different application areas (purity determination, forensics, pharmaceutical analysis, etc.). KW - qNMR KW - Deuterium NMR KW - Deuterated solvents KW - Standardization Y1 - 2021 SN - 0039-9140 U6 - https://doi.org/10.1016/j.talanta.2020.121504 VL - 222 IS - Article number: 121504 PB - Elsevier ER - TY - JOUR A1 - Monakhova, Yulia A1 - Diehl, Bernd W. K. T1 - A step towards optimization of the qNMR workflow: proficiency testing exercise at an GxP-accredited laboratory JF - Applied Magnetic Resonance N2 - Quantitative nuclear magnetic resonance (qNMR) is considered as a powerful tool for multicomponent mixture analysis as well as for the purity determination of single compounds. Special attention is currently paid to the training of operators and study directors involved in qNMR testing. To assure that only qualified personnel are used for sample preparation at our GxP-accredited laboratory, weighing test was proposed. Sixteen participants performed six-fold weighing of the binary mixture of dibutylated hydroxytoluene (BHT) and 1,2,4,5-tetrachloro-3-nitrobenzene (TCNB). To evaluate the quality of data analysis, all spectra were evaluated manually by a qNMR expert and using in-house developed automated routine. The results revealed that mean values are comparable and both evaluation approaches are free of systematic error. However, automated evaluation resulted in an approximately 20% increase in precision. The same findings were revealed for qNMR analysis of 32 compounds used in pharmaceutical industry. Weighing test by six-fold determination in binary mixtures and automated qNMR methodology can be recommended as efficient tools for evaluating staff proficiency. The automated qNMR method significantly increases throughput and precision of qNMR for routine measurements and extends application scope of qNMR. Y1 - 2021 U6 - https://doi.org/10.1007/s00723-021-01324-3 SN - 1613-7507 N1 - Corresponding author: Yulia Monakhova VL - 52 SP - 581 EP - 593 PB - Springer Nature CY - Wien ER -