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 - http://dx.doi.org/10.1016/j.talanta.2020.121504 VL - 222 IS - Article number: 121504 PB - Elsevier ER - TY - JOUR A1 - Burmistrova, Natalia A. A1 - Soboleva, Polina M. A1 - Monakhova, Yulia T1 - Is infrared spectroscopy combined with multivariate analysis a promising tool for heparin authentication? JF - Journal of Pharmaceutical and Biomedical Analysis N2 - 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. KW - IR spectroscopy KW - Heparin KW - Authenticity KW - Principal component analysis KW - Soft independent modeling of class analogy Y1 - 2021 SN - 0731-7085 U6 - http://dx.doi.org/10.1016/j.jpba.2020.113811 VL - 194 IS - Article number: 113811 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Monakhova, Yulia A1 - Diehl, Bernd W. K. T1 - Simplification of NMR Workflows by Standardization Using 2H Integral of Deuterated Solvent as Applied to Aloe vera Preparations JF - Applied Magnetic Resonance N2 - In this study, a recently proposed NMR standardization approach by 2H integral of deuterated solvent for quantitative multicomponent analysis of complex mixtures is presented. As a proof of principle, the existing NMR routine for the analysis of Aloe vera products was modified. Instead of using absolute integrals of targeted compounds and internal standard (nicotinamide) from 1H-NMR spectra, quantification was performed based on the ratio of a particular 1H-NMR compound integral and 2H-NMR signal of deuterated solvent D2O. Validation characteristics (linearity, repeatability, accuracy) were evaluated and the results showed that the method has the same precision as internal standardization in case of multicomponent screening. Moreover, a dehydration process by freeze drying is not necessary for the new routine. Now, our NMR profiling of A. vera products needs only limited sample preparation and data processing. The new standardization methodology provides an appealing alternative for multicomponent NMR screening. In general, this novel approach, using standardization by 2H integral, benefits from reduced sample preparation steps and uncertainties, and is recommended in different application areas (purity determination, forensics, pharmaceutical analysis, etc.). Y1 - 2021 U6 - http://dx.doi.org/10.1007/s00723-021-01393-4 SN - 1613-7507 VL - 52 IS - 11 SP - 1591 EP - 1600 PB - Springer CY - Cham ER - 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 - http://dx.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 - CHAP A1 - Czarnecki, Christian A1 - Hong, Chin-Gi A1 - Schmitz, Manfred A1 - Dietze, Christian ED - Urbach, Nils ED - Röglinger, Maximilian ED - Kautz, Karlheinz ED - Alias, Rose Alinda ED - Saunders, Carol ED - Wiener, Martin T1 - Enabling digital transformation through cognitive robotic process automation at Deutsche Telekom Services Europe T2 - Digitalization Cases Vol. 2 : Mastering digital transformation for global business N2 - Subject of this case is Deutsche Telekom Services Europe (DTSE), a service center for administrative processes. Due to the high volume of repetitive tasks (e.g., 100k manual uploads of offer documents into SAP per year), automation was identified as an important strategic target with a high management attention and commitment. DTSE has to work with various backend application systems without any possibility to change those systems. Furthermore, the complexity of administrative processes differed. When it comes to the transfer of unstructured data (e.g., offer documents) to structured data (e.g., MS Excel files), further cognitive technologies were needed. Y1 - 2021 SN - 978-3-030-80002-4 (Print) SN - 978-3-030-80003-1 (Online) U6 - http://dx.doi.org/10.1007/978-3-030-80003-1 SP - 123 EP - 138 PB - Springer CY - Cham ER - TY - CHAP A1 - Czarnecki, Christian A1 - Fettke, Peter ED - Czarnecki, Christian ED - Fettke, Peter T1 - Robotic process automation : Positioning, structuring, and framing the work T2 - Robotic process automation : Management, technology, applications N2 - Robotic process automation (RPA) has attracted increasing attention in research and practice. This chapter positions, structures, and frames the topic as an introduction to this book. RPA is understood as a broad concept that comprises a variety of concrete solutions. From a management perspective RPA offers an innovative approach for realizing automation potentials, whereas from a technical perspective the implementation based on software products and the impact of artificial intelligence (AI) and machine learning (ML) are relevant. RPA is industry-independent and can be used, for example, in finance, telecommunications, and the public sector. With respect to RPA this chapter discusses definitions, related approaches, a structuring framework, a research framework, and an inside as well as outside architectural view. Furthermore, it provides an overview of the book combined with short summaries of each chapter. KW - Robotic process automation KW - management KW - technology KW - applications KW - research framework Y1 - 2021 SN - 978-3-11-067668-6 (Print) SN - 978-3-11-067669-3 (PDF) SN - 978-3-11-067677-8 (ePub) U6 - http://dx.doi.org/10.1515/9783110676693-202 SP - 3 EP - 24 PB - De Gruyter CY - Oldenbourg ER - TY - CHAP A1 - Bensberg, Frank A1 - Auth, Gunnar A1 - Czarnecki, Christian ED - Czarnecki, Christian ED - Fettke, Peter T1 - Finding the perfect RPA match : a criteria-based selection method for RPA solutions T2 - Robotic process automation : Management, technology, applications N2 - The benefits of robotic process automation (RPA) are highly related to the usage of commercial off-the-shelf (COTS) software products that can be easily implemented and customized by business units. But, how to find the best fitting RPA product for a specific situation that creates the expected benefits? This question is related to the general area of software evaluation and selection. In the face of more than 75 RPA products currently on the market, guidance considering those specifics is required. Therefore, this chapter proposes a criteria-based selection method specifically for RPA. The method includes a quantitative evaluation of costs and benefits as well as a qualitative utility analysis based on functional criteria. By using the visualization of financial implications (VOFI) method, an application-oriented structure is provided that opposes the total cost of ownership to the time savings times salary (TSTS). For the utility analysis a detailed list of functional criteria for RPA is offered. The whole method is based on a multi-vocal review of scientific and non-scholarly literature including publications by business practitioners, consultants, and vendors. The application of the method is illustrated by a concrete RPA example. The illustrated structures, templates, and criteria can be directly utilized by practitioners in their real-life RPA implementations. In addition, a normative decision process for selecting RPA alternatives is proposed before the chapter closes with a discussion and outlook. KW - robotic process automation KW - business process automation KW - commercial offthe- shelf solutions KW - software evaluation KW - software selection Y1 - 2021 SN - 978-3-11-067677-8 SN - 978-3-11-067669-3 SN - 9783110676686 U6 - http://dx.doi.org/10.1515/9783110676693-201 SP - 47 EP - 75 PB - De Gruyter CY - Oldenbourg ER - TY - CHAP A1 - Croon, Philipp A1 - Czarnecki, Christian ED - Czarnecki, Christian ED - Fettke, Peter T1 - Liability for loss or damages caused by RPA T2 - Robotic process automation : Management, technology, applications N2 - Intelligent autonomous software robots replacing human activities and performing administrative processes are reality in today’s corporate world. This includes, for example, decisions about invoice payments, identification of customers for a marketing campaign, and answering customer complaints. What happens if such a software robot causes a damage? Due to the complete absence of human activities, the question is not trivial. It could even happen that no one is liable for a damage towards a third party, which could create an uncalculatable legal risk for business partners. Furthermore, the implementation and operation of those software robots involves various stakeholders, which result in the unsolvable endeavor of identifying the originator of a damage. Overall it is advisable to all involved parties to carefully consider the legal situation. This chapter discusses the liability of software robots from an interdisciplinary perspective. Based on different technical scenarios the legal aspects of liability are discussed. KW - robotic process automation KW - artificial intelligence KW - liability KW - culpability Y1 - 2021 SN - 9783110676778 SN - 9783110676693 SN - 9783110676686 U6 - http://dx.doi.org/10.1515/9783110676693-202 SP - 135 EP - 151 PB - De Gruyter CY - Oldenbourg ER - TY - CHAP A1 - Schneider, Dominik A1 - Wisselink, Frank A1 - Nölle, Nikolai A1 - Czarnecki, Christian ED - Barton, Thomas ED - Müller, Christian T1 - Einfluss von Künstlicher Intelligenz auf Customer Journeys am Beispiel von intelligentem Parken T2 - Künstliche Intelligenz in der Anwendung : Rechtliche Aspekte, Anwendungspotenziale und Einsatzszenarien N2 - Im Konsumentenmarkt entstehen vermehrt neue Anwendungen von Künstlicher Intelligenz (KI). Zunehmend drängen auch Geräte und Dienste in den Markt, die eigenständig über das Internet kommunizieren. Dadurch können diese Geräte und Dienste mit neuartigen KI-basierten Diensten verbessert werden. Solche Dienste können die Art und Weise beeinflussen, wie Kunden kommerzielle Entscheidungen treffen und somit das Kundenerlebnis maßgeblich verändern. Der Einfluss von KI auf kommerzielle Interaktionen wurde bisher noch nicht umfassend untersucht. Basierend auf einem Framework, welches einen ersten Überblick über die Effekte von KI auf kommerzielle Interaktionen gibt, wird in diesem Kapitel der Einfluss von KI auf Customer Journeys am konkreten Anwendungsfall des intelligenten Parkens analysiert. Die daraus gewonnenen Erkenntnisse können in der Praxis als Grundlage genutzt werden, um das Potenzial von KI zu verstehen und bei der Gestaltung eigener Customer Journeys umzusetzen. KW - Kommerzielle Interaktionen KW - Customer Journeys KW - Prozessagilität KW - Customer Experience Management KW - Intelligentes Parken Y1 - 2021 SN - 978-3-658-30935-0 (Print) SN - 978-3-658-30936-7 (Online) U6 - http://dx.doi.org/10.1007/978-3-658-30936-7_7 SP - 99 EP - 122 PB - Springer Vieweg CY - Wiesbaden ER - TY - CHAP A1 - Ritschel, Konstantin A1 - Stenzel, Adina A1 - Czarnecki, Christian A1 - Hong, Chin-Gi ED - Gesellschaft für Informatik e.V. (GI), T1 - Realizing robotic process automation potentials: an architectural perspective on a real-life implementation case T2 - GI Edition Proceedings Band 314 "INFORMATIK 2021" Computer Science & Sustainability N2 - The initial idea of Robotic Process Automation (RPA) is the automation of business processes through a simple emulation of user input and output by software robots. Hence, it can be assumed that no changes of the used software systems and existing Enterprise Architecture (EA) is required. In this short, practical paper we discuss this assumption based on a real-life implementation project. We show that a successful RPA implementation might require architectural work during analysis, implementation, and migration. As practical paper we focus on exemplary lessons-learned and new questions related to RPA and EA. KW - Robotic Process Automation KW - Enterprise Architecture KW - Implementation Case Y1 - 2021 SN - 9783885797081 SN - 1617-5468 N1 - INFORMATIK 2021 – 51. Jahrestagung der Gesellschaft für Informatik, 27. September – 01. Oktober 2021 / Virtuell, Berlin. https://informatik2021.gi.de/ SP - 1303 EP - 1311 PB - Köllen CY - Bonn ER -