@article{BechtSchollmayerMonakhovaetal.2021, author = {Becht, Alexander and Schollmayer, Curd and Monakhova, Yulia and Holzgrabe, Ulrike}, title = {Tracing the origin of paracetamol tablets by near-infrared, mid-infrared, and nuclear magnetic resonance spectroscopy using principal component analysis and linear discriminant analysis}, series = {Analytical and Bioanalytical Chemistry}, volume = {413}, journal = {Analytical and Bioanalytical Chemistry}, publisher = {Springer Nature}, issn = {1618-2650}, doi = {10.1007/s00216-021-03249-z}, pages = {3107 -- 3118}, year = {2021}, abstract = {Most drugs are no longer produced in their own countries by the pharmaceutical companies, but by contract manufacturers or at manufacturing sites in countries that can produce more cheaply. This not only makes it difficult to trace them back but also leaves room for criminal organizations to fake them unnoticed. For these reasons, it is becoming increasingly difficult to determine the exact origin of drugs. The goal of this work was to investigate how exactly this is possible by using different spectroscopic methods like nuclear magnetic resonance and near- and mid-infrared spectroscopy in combination with multivariate data analysis. As an example, 56 out of 64 different paracetamol preparations, collected from 19 countries around the world, were chosen to investigate whether it is possible to determine the pharmaceutical company, manufacturing site, or country of origin. By means of suitable pre-processing of the spectra and the different information contained in each method, principal component analysis was able to evaluate manufacturing relationships between individual companies and to differentiate between production sites or formulations. Linear discriminant analysis showed different results depending on the spectral method and purpose. For all spectroscopic methods, it was found that the classification of the preparations to their manufacturer achieves better results than the classification to their pharmaceutical company. The best results were obtained with nuclear magnetic resonance and near-infrared data, with 94.6\%/99.6\% and 98.7/100\% of the spectra of the preparations correctly assigned to their pharmaceutical company or manufacturer.}, language = {en} } @article{LindnerBurgerRutledgeetal.2022, author = {Lindner, Simon and Burger, Ren{\´e} and Rutledge, Douglas N. and Do, Xuan Tung and Rumpf, Jessica and Diehl, Bernd W. K. and Schulze, Margit and Monakhova, Yulia}, title = {Is the calibration transfer of multivariate calibration models between high- and low-field NMR instruments possible? A case study of lignin molecular weight}, series = {Analytical chemistry}, volume = {94}, journal = {Analytical chemistry}, number = {9}, publisher = {ACS Publications}, address = {Washington, DC}, isbn = {1520-6882}, doi = {10.1021/acs.analchem.1c05125}, pages = {3997 -- 4004}, year = {2022}, abstract = {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.}, language = {en} } @article{AboulnagaPinkenburgSchiffelsetal.2013, author = {Aboulnaga, El-Hussiny and Pinkenburg, Olaf and Schiffels, Johannes and El-Refai, Ahmed and Buckel, Wolfgang and Selmer, Thorsten}, title = {Butyrate production in Escherichia coli: Exploitation of an oxygen tolerant bifurcating butyryl-CoA dehydrogenase/electron transferring flavoprotein complex from Clostridium difficile}, series = {Journal of bacteriology. June 14, 2013}, journal = {Journal of bacteriology. June 14, 2013}, issn = {1098-5530 (E-Journal) ; 0021-9193 (Print)}, pages = {Epub ahead of print}, year = {2013}, language = {de} } @article{AboulnagaZouSelmeretal.2018, author = {Aboulnaga, Elhussiny A. and Zou, Huibin and Selmer, Thorsten and Xian, Mo}, title = {Development of a plasmid-based, tunable, tolC-derived expression system for application in Cupriavidus necator H16}, series = {Journal of Biotechnology}, volume = {274}, journal = {Journal of Biotechnology}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2018.03.007}, pages = {15 -- 27}, year = {2018}, abstract = {Cupriavidus necator H16 gains increasing attention in microbial research and biotechnological application due to its diverse metabolic features. Here we present a tightly controlled gene expression system for C. necator including the pBBR1-vector that contains hybrid promoters originating from C. necator native tolC-promoter in combination with a synthetic tetO-operator. The expression of the reporter gene from these plasmids relies on the addition of the exogenous inducer doxycycline (dc). The novel expression system offers a combination of advantageous features as; (i) high and dose-dependent recombinant protein production, (ii) tight control with a high dynamic range (On/Off ratio), which makes it applicable for harmful pathways or for toxic protein production, (iii) comparable cheap inducer (doxycycline, dc), (iv) effective at low inducer concentration, that makes it useful for large scale application, (v) rapid, diffusion controlled induction, and (vi) the inducer does not interfere within the cell metabolism. As applications of the expression system in C. necator H16, the growth ability on glycerol was enhanced by constitutively expressing the E. coli glpk gene-encoding for glycerol kinase. Likewise, we used the system to overcome the expression toxicity of mevalonate pathway in C. necator H16. With this system, the mevalonate-genes were successfully introduced in the host and the recombinant strains could produce about 200 mg/l mevalonate.}, language = {en} } @article{AggarwalDhimanKumaretal.2012, author = {Aggarwal, Pranav and Dhiman, Shashi K. and Kumar, G. and Scherer, Ulrich W. and Singla, M. L. and Srivastava, Alok}, title = {Optical study of poly(ethyleneterephthalate) modified by different ionizing radiation dose}, series = {Indian Journal of Pure and Applied Physics}, volume = {50}, journal = {Indian Journal of Pure and Applied Physics}, number = {2}, issn = {0019-5596}, pages = {129 -- 132}, year = {2012}, abstract = {Thin films of poly(ethyleneterephthalate) [PET]were exposed to radiation dose ranging from 10 to 30 kGy by using gamma rays in the range 12.8-177.8 MGy using swift light ions of hydrogen. There was no effect of the radiation dose on the optical behaviour of PET as a result of exposure to radiation dose up to 30 kGy brought about by gamma rays but a significant decrease in the optical band gap values was observed when PET was exposed to swift light ions of hydrogen. The data obtained are discussed in terms of optical studies carried out on PET using swift heavy ions.}, language = {en} } @article{SrivastavaSinghAggarwaletal.2010, author = {Srivastava, Alok and Singh, Virendra and Aggarwal, Pranav and Schneeweiss, F. and Scherer, Ulrich W. and Friedrich, W.}, title = {Optical studies of insulating polymers for radiation dose monitoring}, series = {Indian Journal of Pure \& Applied Physics}, volume = {48}, journal = {Indian Journal of Pure \& Applied Physics}, number = {11}, isbn = {0019-5596}, pages = {782 -- 786}, year = {2010}, language = {en} } @article{BerndtGattnerZahn1975, author = {Berndt, Heinz and Gattner, Hans-Gregor and Zahn, Helmut}, title = {Semisynthetisches Des-A1-glycin-Schafinsulin}, series = {Biological Chemistry}, volume = {356}, journal = {Biological Chemistry}, number = {2}, publisher = {De Gruyter}, address = {Berlin}, issn = {1437-4315}, doi = {10.1515/bchm2.1975.356.2.1455}, pages = {1469 -- 1472}, year = {1975}, language = {de} } @article{GielenWolfBerndtetal.1979, author = {Gielen, Hans-G{\"u}nther and Wolf, G{\"u}nter and Berndt, Heinz and Zahn, Helmut}, title = {Synthese der Fragmente A1-8, A9-15 und A16-21 der Schafinsulin-A-Kette unter Verwendung des S-tert-Butylmercaptorestes als Thiolschutzgruppe}, series = {Hoppe-Seyler's Zeitschrift f{\"u}r physiologische Chemie}, volume = {360}, journal = {Hoppe-Seyler's Zeitschrift f{\"u}r physiologische Chemie}, number = {2}, issn = {1437-4315}, doi = {10.1515/bchm2.1979.360.2.1535}, pages = {1535 -- 1548}, year = {1979}, language = {de} } @article{WolfBerndtBrandenburg1979, author = {Wolf, Wilhelm and Berndt, Heinz and Brandenburg, Dietrich}, title = {Synthese von Fragmenten einer [LysA13] Rinder-Insulin-A-Kette unter Verwendung des S-tert-Butylmercaptorestes als Thiolschutz}, series = {Hoppe-Seyler's Zeitschrift f{\"u}r physiologische Chemie}, volume = {360}, journal = {Hoppe-Seyler's Zeitschrift f{\"u}r physiologische Chemie}, number = {2}, issn = {1437-4315}, doi = {10.1515/bchm2.1979.360.2.1549}, pages = {1549 -- 1558}, year = {1979}, language = {de} } @article{WilhelmBerndtBrandenburg1979, author = {Wilhelm, Wolff and Berndt, Heinz and Brandenburg, Dietrich}, title = {Zur Synthese der H{\"u}hnerinsulin-A-Kette, I : Darstellung der Fragmente A1-8, A9-15, A1-7 und A8-15}, series = {Hoppe-Seyler's Zeitschrift f{\"u}r physiologische Chemie}, volume = {360}, journal = {Hoppe-Seyler's Zeitschrift f{\"u}r physiologische Chemie}, number = {2}, issn = {1437-4315}, doi = {10.1515/bchm2.1979.360.2.1559}, pages = {1559 -- 1568}, year = {1979}, language = {de} } @article{Berndt1979, author = {Berndt, Heinz}, title = {Synthese der Sequenz 71—86 des Humanproinsulins, III : Synthese {\"u}ber die Fragmente 71—78 und 79—86}, series = {Hoppe-Seyler's Zeitschrift f{\"u}r physiologische Chemie}, volume = {360}, journal = {Hoppe-Seyler's Zeitschrift f{\"u}r physiologische Chemie}, number = {1}, issn = {1437-4315}, doi = {10.1515/bchm2.1979.360.1.765}, pages = {765 -- 772}, year = {1979}, language = {de} } @article{OehlenschlaegerVolkmarStiefelmaieretal.2024, author = {Oehlenschl{\"a}ger, Katharina and Volkmar, Marianne and Stiefelmaier, Judith and Langsdorf, Alexander and Holtmann, Dirk and Tippk{\"o}tter, Nils and Ulber, Roland}, title = {New insights into the influence of pre-culture on robust solvent production of C. acetobutylicum}, series = {Applied Microbiology and Biotechnology}, volume = {108}, journal = {Applied Microbiology and Biotechnology}, publisher = {Springer}, address = {Berlin, Heidelberg}, issn = {1432-0614}, doi = {10.1007/s00253-023-12981-8}, pages = {10 Seiten}, year = {2024}, abstract = {Clostridia are known for their solvent production, especially the production of butanol. Concerning the projected depletion of fossil fuels, this is of great interest. The cultivation of clostridia is known to be challenging, and it is difficult to achieve reproducible results and robust processes. However, existing publications usually concentrate on the cultivation conditions of the main culture. In this paper, the influence of cryo-conservation and pre-culture on growth and solvent production in the resulting main cultivation are examined. A protocol was developed that leads to reproducible cultivations of Clostridium acetobutylicum. Detailed investigation of the cell conservation in cryo-cultures ensured reliable cell growth in the pre-culture. Moreover, a reason for the acid crash in the main culture was found, based on the cultivation conditions of the pre-culture. The critical parameter to avoid the acid crash and accomplish the shift to the solventogenesis of clostridia is the metabolic phase in which the cells of the pre-culture were at the time of inoculation of the main culture; this depends on the cultivation time of the pre-culture. Using cells from the exponential growth phase to inoculate the main culture leads to an acid crash. To achieve the solventogenic phase with butanol production, the inoculum should consist of older cells which are in the stationary growth phase. Considering these parameters, which affect the entire cultivation process, reproducible results and reliable solvent production are ensured.}, language = {en} } @article{KruegerGroetzingerBerndt1987, author = {Kr{\"u}ger, G{\"o}tz and Gr{\"o}tzinger, Joachim and Berndt, Heinz}, title = {Enantiomeric resolution of amino acid derivatives on chiral stationary phases by high-performance liquid chromatography}, series = {Journal of Chromatography A}, volume = {1987}, journal = {Journal of Chromatography A}, number = {397}, issn = {0021-9673}, doi = {10.1016/S0021-9673(01)85005-6}, pages = {223 -- 232}, year = {1987}, language = {en} } @article{NokiharaBerndt1978, author = {Nokihara, Kiyoshi and Berndt, Heinz}, title = {Synthesis of hapten-polypeptide conjugates as antigen models for the N-terminal region of the α-2-chain of rabbit skin collagen}, series = {Journal of the Royal Society of Chemistry: Perkin Transactions 1}, volume = {1978}, journal = {Journal of the Royal Society of Chemistry: Perkin Transactions 1}, number = {3}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1364-5463}, doi = {10.1039/P19780000260}, pages = {260 -- 263}, year = {1978}, abstract = {Synthesis of derivatives of the peptide sequence L-pyroglutamyl-L-phenylalanyl-L-aspartyl-glycyl-L-lysyl-glycyl-glycyl-glycine as the antigenic determinant representing the N-terminal non-helical region of the α-2-chain of rabbit skin collagen, and conjugation to two different polypeptide carriers, are described.}, language = {en} } @article{ScheerKapelyukhRodeetal.2012, author = {Scheer, Nico and Kapelyukh, Yury and Rode, Anja and Buechel, Sandra and Wolf, C. Roland}, title = {Generation and characterization of novel cytochrome P450 Cyp2c gene cluster knockout and CYP2C9 humanized mouse lines}, series = {Molecular Pharmacology}, volume = {82}, journal = {Molecular Pharmacology}, number = {6}, publisher = {ASPET}, address = {Bethesda, Md.}, issn = {1521-0111}, doi = {10.1124/mol.112.080036}, pages = {1022 -- 1029}, year = {2012}, abstract = {Compared with rodents and many other animal species, the human cytochrome P450 (P450) Cyp2c gene cluster varies significantly in the multiplicity of functional genes and in the substrate specificity of its enzymes. As a consequence, the use of wild-type animal models to predict the role of human CYP2C enzymes in drug metabolism and drug-drug interactions is limited. Within the human CYP2C cluster CYP2C9 is of particular importance, because it is one of the most abundant P450 enzymes in human liver, and it is involved in the metabolism of a wide variety of important drugs and environmental chemicals. To investigate the in vivo functions of cytochrome P450 Cyp2c genes and to establish a model for studying the functions of CYP2C9 in vivo, we have generated a mouse model with a deletion of the murine Cyp2c gene cluster and a corresponding humanized model expressing CYP2C9 specifically in the liver. Despite the high number of functional genes in the mouse Cyp2c cluster and the reported roles of some of these proteins in different biological processes, mice deleted for Cyp2c genes were viable and fertile but showed certain phenotypic alterations in the liver. The expression of CYP2C9 in the liver also resulted in viable animals active in the metabolism and disposition of a number of CYP2C9 substrates. These mouse lines provide a powerful tool for studying the role of Cyp2c genes and of CYP2C9 in particular in drug disposition and as a factor in drug-drug interaction.}, language = {en} } @article{Berndt1980, author = {Berndt, Heinz}, title = {Zur Reaktion von Iminodithiocarbonaten mit Carbons{\"a}uren. I : Synthese des Modellpeptid-Derivates Z-(L)-Ala-(L/D)-Phe-(L)-Val-OMe}, series = {Tetrahedron letters}, volume = {21}, journal = {Tetrahedron letters}, number = {34}, issn = {0040-4039}, doi = {10.1016/S0040-4039(00)78663-1}, pages = {3265 -- 3268}, year = {1980}, language = {de} } @article{BerndtKrueger1985, author = {Berndt, Heinz and Kr{\"u}ger, G{\"o}tz}, title = {Resolution of enantiomeric amino acid derivatives by high-performance liquid chromatography on chiral stationary phases}, series = {Journal of chromatography A}, volume = {1985}, journal = {Journal of chromatography A}, number = {348}, issn = {0021-9673}, doi = {10.1016/S0021-9673(01)92461-6}, pages = {275 -- 279}, year = {1985}, language = {en} } @article{MeyerStorkKalbeKuropkaetal.1988, author = {Meyer-Stork, L. Sebastian and Kalbe, Jochen and Kuropka, Rolf and Sauter, S. L. and H{\"o}cker, Hartwig and Berndt, Heinz}, title = {Eindeutige Provenienzanalyse von Wolle und feinen Tierhaaren mit Hilfe der Erbsubstanz (DNS)}, series = {Textilveredlung : schweizerische Zeitschrift f{\"u}r Textilchemie, Textilveredlung und deren Randgebiete}, volume = {23}, journal = {Textilveredlung : schweizerische Zeitschrift f{\"u}r Textilchemie, Textilveredlung und deren Randgebiete}, number = {9}, issn = {0040-5310}, pages = {304 -- 307}, year = {1988}, language = {de} } @article{SchnabelSchnabelBerndt1971, author = {Schnabel, Eugen and Schnabel, Henning and Berndt, Heinz}, title = {Zur selektiven acidolytischen Abspaltbarkeit der tert.-Butyloxycarbonyl-Gruppe}, series = {Justus Liebigs Annalen der Chemie}, volume = {749}, journal = {Justus Liebigs Annalen der Chemie}, number = {1}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1099-0690}, doi = {10.1002/jlac.19717490111}, pages = {90 -- 108}, year = {1971}, abstract = {Die tert.-Butyloxycarbonyl-Gruppe (Boc) l{\"a}ßt sich mittels reiner Trifluoressigs{\"a}ure nicht selektiv neben dem Benzyloxycarbonyl-Rest (Z) abspalten. Das gelingt auch nicht mit L{\"o}sungen von Trifluoressigs{\"a}ure bzw. Chlorwasserstoff in organischen L{\"o}sungsmitteln. Kern-substituierte Z-Gruppen wie Z(pCl), Z(mCl) oder Z(pNO₂) sind zwar stabiler, werden aber von den obengenannten Reagenzien ebenfalls angegriffen bzw. sind nicht mehr acidolytisch abspaltbar. - Mit 70proz. w{\"a}ßriger Trifluoressigs{\"a}ure gelingt die Abspaltung von Boc neben Z dagegen fast selektiv; dabei werden aber Benzylester, besonders Glutamins{\"a}ure-γ-benzylester, teilweise hydrolysiert, w{\"a}hrend Methyl- sowie {\"A}thylester nahezu best{\"a}ndig sind. Die Brauchbarkeit des Abspaltungsverfahrens wird anhand der schrittweise durchgef{\"u}hrten Synthese zweier Heptapeptid-Derivate gezeigt. - {\"A}hnlich spezifisch gelingt die Abspaltung von Boc mit Bortrifluorid-{\"a}therat in Eisessig; Benzylester sind gegen{\"u}ber diesem Reagenz stabiler als gegen w{\"a}ßrige Trifluoressigs{\"a}ure. Das Bortrifluorid-Verfahren eignet sich besonders f{\"u}r die Abspaltung von Boc-Gruppen neben s{\"a}urelabilen Thiol-Schutzgruppen (Tetrahydropyranyl- bzw. Trityl-Rest) sowie neben dem Cyclocystinyl-Rest. Die Leistungsf{\"a}higkeit der Methode wird durch die Synthese zweier Peptid-Derivate mit S-Trityl-Schutzgruppen belegt. Als Nebenreaktion ist die Acetylierung von aliphatischen Hydroxylgruppen m{\"o}glich. Sie l{\"a}ßt sich vermeiden, wenn man die Spaltung in anderen L{\"o}sungsmitteln durchf{\"u}hrt. Die als Modellverbindungen f{\"u}r Stabilit{\"a}tsuntersuchungen verwendeten Nε-acylierten Lysin-Derivate werden mit dem Aminos{\"a}ureanalysator quantitativ neben Lysin bestimmt.}, language = {de} } @article{KuropkaMuellerHoeckeretal.1989, author = {Kuropka, Rolf and M{\"u}ller, Bettina and H{\"o}cker, Hartwig and Berndt, Heinz}, title = {Chiral stationary phases via hydrosilylation reaction of N-acryloylamino acids : I. Stationary phase with one chiral centre for high-performance liquid chromatography and development of a new derivatization pattern for amino acid enantiomers}, series = {Journal of chromatography A}, journal = {Journal of chromatography A}, number = {481}, isbn = {0021-9673}, pages = {380 -- 386}, year = {1989}, language = {en} }