Kurz, Thomas

[["dc.bibliographiccitation.firstpage","715"],["dc.bibliographiccitation.issue","2"],["dc.bibliographiccitation.journal","European Journal of Neuroscience"],["dc.bibliographiccitation.lastpage","725"],["dc.bibliographiccitation.volume","12"],["dc.contributor.author","Heim, Christine"],["dc.contributor.author","Zhang, J."],["dc.contributor.author","Lan, J."],["dc.contributor.author","Sieklucka, M."],["dc.contributor.author","Kurz, Thomas"],["dc.contributor.author","Riederer, Peter"],["dc.contributor.author","Gerlach, M."],["dc.contributor.author","Sontag, K. H."],["dc.date.accessioned","2018-11-07T10:21:47Z"],["dc.date.available","2018-11-07T10:21:47Z"],["dc.date.issued","2000"],["dc.description.abstract","Sixty minutes of cerebral oligaemic hypoxia, induced by bilateral clamping of the carotid arteries (BCCA) in pentobarbital-anaesthetized normotensive rats, induces a late progressive cognitive decline when compared with sham-operated controls. Analysis at BCCA of hippocampal metabolism using microdialysis showed increased release of glutamate, aspartate and gamma-aminobutyric acid, followed by a progressive rise in the formation of hydroxyl free radicals measured as 2,3-dihydroxybenzoic acid (2,3-DHBA), their reaction product with salicylate, though only in the re-perfusion phase. In the striatum increased dopamine release occurred during BCCA, whereas glutamate and aspartate showed an increase only during the late re-perfusion phase. gamma-Aminobutyric acid (GABA) concentration increased during BCCA and early re-perfusion. An increase in 2,3-DHBA was seen during BCCA, and persisted over 2 h of re-perfusion. Six and 13 months after surgery, though not as early as 3 months, BCCA-treated rats perform worse than sham-operated controls in a water-maze, where decreased swimming speed reveals striatal dysfunction, while hippocampal dysfunction manifested as diminished spatial bias. These results show that cerebral oligaemia, similarly to cerebral ischaemia, leads to increased extracellular dopamine, aspartate and glutamate, and the production of hydroxyl radicals in structures associated with learning and memory processes. Unlike cerebral ischaemia, in cerebral oligaemia the appearance of spatial memory deficits is delayed."],["dc.identifier.doi","10.1046/j.1460-9568.2000.00916.x"],["dc.identifier.isi","000085927900031"],["dc.identifier.pmid","10712651"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/42158"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Blackwell Science Ltd"],["dc.relation.issn","0953-816X"],["dc.title","Cerebral oligaemia episode triggers free radical formation and late cognitive deficiencies"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","106501"],["dc.bibliographiccitation.issue","10"],["dc.bibliographiccitation.journal","Reports on Progress in Physics"],["dc.bibliographiccitation.volume","73"],["dc.contributor.author","Lauterborn, Werner"],["dc.contributor.author","Kurz, Thomas"],["dc.date.accessioned","2018-11-07T08:38:57Z"],["dc.date.available","2018-11-07T08:38:57Z"],["dc.date.issued","2010"],["dc.description.abstract","Bubbles in liquids, soft and squeezy objects made of gas and vapour, yet so strong as to destroy any material and so mysterious as at times turning into tiny light bulbs, are the topic of the present report. Bubbles respond to pressure forces and reveal their full potential when periodically driven by sound waves. The basic equations for nonlinear bubble oscillation in sound fields are given, together with a survey of typical solutions. A bubble in a liquid can be considered as a representative example from nonlinear dynamical systems theory with its resonances, multiple attractors with their basins, bifurcations to chaos and not yet fully describable behaviour due to infinite complexity. Three stability conditions are treated for stable trapping of bubbles in standing sound fields: positional, spherical and diffusional stability. Chemical reactions may become important in that respect, when reacting gases fill the bubble, but the chemistry of bubbles is just touched upon and is beyond the scope of the present report. Bubble collapse, the runaway shrinking of a bubble, is presented in its current state of knowledge. Pressures and temperatures that are reached at this occasion are discussed, as well as the light emission in the form of short flashes. Aspherical bubble collapse, as for instance enforced by boundaries nearby, mitigates most of the phenomena encountered in spherical collapse, but introduces a new effect: jet formation, the self-piercing of a bubble with a high velocity liquid jet. Examples of this phenomenon are given from light induced bubbles. Two oscillating bubbles attract or repel each other, depending on their oscillations and their distance. Upon approaching, attraction may change to repulsion and vice versa. When being close, they also shoot self-piercing jets at each other. Systems of bubbles are treated as they appear after shock wave passage through a liquid and with their branched filaments that they attain in standing sound fields. The N-bubble problem is formulated in the spirit of the n-body problem of astrophysics, but with more complicated interaction forces. Simulations are compared with three-dimensional bubble dynamics obtained by stereoscopic high speed digital videography."],["dc.identifier.doi","10.1088/0034-4885/73/10/106501"],["dc.identifier.isi","000282093900003"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/18876"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Iop Publishing Ltd"],["dc.relation.issn","1361-6633"],["dc.relation.issn","0034-4885"],["dc.title","Physics of bubble oscillations"],["dc.type","review"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","3468"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Nature Communications"],["dc.bibliographiccitation.volume","12"],["dc.contributor.author","Vaßholz, Malte"],["dc.contributor.author","Hoeppe, H. P."],["dc.contributor.author","Hagemann, Johannes"],["dc.contributor.author","Rosselló, J. M."],["dc.contributor.author","Osterhoff, Markus"],["dc.contributor.author","Mettin, Robert"],["dc.contributor.author","Kurz, Thomas"],["dc.contributor.author","Schropp, A."],["dc.contributor.author","Seiboth, F."],["dc.contributor.author","Schroer, C. G."],["dc.contributor.author","Scholz, M."],["dc.contributor.author","Möller, J."],["dc.contributor.author","Hallmann, J."],["dc.contributor.author","Boesenberg, U."],["dc.contributor.author","Kim, C."],["dc.contributor.author","Zozulya, A."],["dc.contributor.author","Lu, W."],["dc.contributor.author","Shayduk, R."],["dc.contributor.author","Schaffer, R."],["dc.contributor.author","Madsen, A."],["dc.contributor.author","Salditt, Tim"],["dc.date.accessioned","2021-06-08T12:44:14Z"],["dc.date.available","2021-06-08T12:44:14Z"],["dc.date.issued","2021-06-08"],["dc.description.abstract","Cavitation bubbles can be seeded from a plasma following optical breakdown, by focusing an intense laser in water. The fast dynamics are associated with extreme states of gas and liquid, especially in the nascent state. This offers a unique setting to probe water and water vapor far-from equilibrium. However, current optical techniques cannot quantify these early states due to contrast and resolution limitations. X-ray holography with single X-ray free-electron laser pulses has now enabled a quasi-instantaneous high resolution structural probe with contrast proportional to the electron density of the object. In this work, we demonstrate cone-beam holographic flash imaging of laser-induced cavitation bubbles in water with nanofocused X-ray free-electron laser pulses. We quantify the spatial and temporal pressure distribution of the shockwave surrounding the expanding cavitation bubble at time delays shortly after seeding and compare the results to numerical simulations."],["dc.description.sponsorship","Open-Access-Publikationsfonds 2021"],["dc.identifier.doi","10.1038/s41467-021-23664-1"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/87172"],["dc.relation.issn","2041-1723"],["dc.relation.orgunit","Institut für Röntgenphysik"],["dc.relation.workinggroup","RG Salditt (Structure of Biomolecular Assemblies and X-Ray Physics)"],["dc.rights","CC BY 4.0"],["dc.subject.gro","x-ray imaging"],["dc.title","Pump-probe X-ray holographic imaging of laser-induced cavitation bubbles with femtosecond FEL pulses"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","2916"],["dc.bibliographiccitation.issue","10"],["dc.bibliographiccitation.journal","Physics of Fluids"],["dc.bibliographiccitation.lastpage","2922"],["dc.bibliographiccitation.volume","15"],["dc.contributor.author","Wolfrum, B."],["dc.contributor.author","Kurz, Thomas"],["dc.contributor.author","Mettin, Robert"],["dc.contributor.author","Lauterborn, Werner"],["dc.date.accessioned","2018-11-07T10:35:58Z"],["dc.date.available","2018-11-07T10:35:58Z"],["dc.date.issued","2003"],["dc.description.abstract","In the present study we experimentally investigate bubble dynamics after laser induced shock wave exposure in the vicinity of salt crystals suspended in water. High-speed microscopic images show aspherical collapse and rebound of single and multiple bubbles with initial radii between 5 and 150 mum. Radius time curves of bubbles close to one boundary are compared to the bubble dynamics of a spherical model. The bubble dynamics strongly depends on the position of neighboring bubbles and on the number of boundaries given by the surrounding salt grains. After excitation bubbles are drawn to the closest particles in their vicinity. Subsequent application of shock waves leads to jet formation against the rigid boundaries. The bubbles often tend to form in or migrate into cracks on the crystal surfaces and sometimes lead to the breakage of particles due to rapid bubble dynamics. Similar behavior may occur in other cases where material damage is induced by shock waves in liquids such as lithotripsy or shock wave cleaning applications. (C) 2003 American Institute of Physics."],["dc.identifier.doi","10.1063/1.1608938"],["dc.identifier.isi","000185268200013"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/45216"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Inst Physics"],["dc.relation.issn","1070-6631"],["dc.title","Shock wave induced interaction of microbubbles and boundaries"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","897"],["dc.bibliographiccitation.issue","7"],["dc.bibliographiccitation.journal","Journal of the Optical Society of America B"],["dc.bibliographiccitation.lastpage","900"],["dc.bibliographiccitation.volume","18"],["dc.contributor.author","Kumar, A."],["dc.contributor.author","Kurz, Thomas"],["dc.date.accessioned","2018-11-07T08:56:26Z"],["dc.date.available","2018-11-07T08:56:26Z"],["dc.date.issued","2001"],["dc.description.abstract","Switching of bistable solitons in a recently proposed doubly and inhomogeneously doped fiber system [Phys. Rev. E 58, 5021 (1998)] is studied numerically. It is shown that both upswitching and downswitching of solitons between bistable status are realizable in the given model if the amplification of the input soliton for upswitching and the extraction of energy from it for downswitching are suitably adjusted. (C) 2001 Optical Society of America."],["dc.identifier.doi","10.1364/JOSAB.18.000897"],["dc.identifier.isi","000169593200001"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/23151"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Optical Soc Amer"],["dc.relation.issn","0740-3224"],["dc.title","Switching between bistable states of a soliton in a doubly inhomogeneously doped fiber coupler"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","PII S0894-1777(02)00182-6"],["dc.bibliographiccitation.firstpage","731"],["dc.bibliographiccitation.issue","6-7"],["dc.bibliographiccitation.journal","Experimental Thermal and Fluid Science"],["dc.bibliographiccitation.lastpage","737"],["dc.bibliographiccitation.volume","26"],["dc.contributor.author","Akhatov, I."],["dc.contributor.author","Vakhitova, N."],["dc.contributor.author","Topolnikov, A."],["dc.contributor.author","Zakirov, K."],["dc.contributor.author","Wolfrum, B."],["dc.contributor.author","Kurz, Thomas"],["dc.contributor.author","Lindau, O."],["dc.contributor.author","Mettin, Robert"],["dc.contributor.author","Lauterborn, Werner"],["dc.date.accessioned","2018-11-07T10:14:38Z"],["dc.date.available","2018-11-07T10:14:38Z"],["dc.date.issued","2002"],["dc.description.abstract","Single cavitation bubble luminescence induced by laser in contrast to single bubble sonoluminescence has no need in a sound field for a strong collapse and for light emission, The cavitation bubbles are produced by focused laser light and make the single strong collapse. As shown experimentally. the number of emitted photons from cavitatior luminescence is much greater than it was observed in sonoluminescence due to the large bubble size during the final stage of co lapse. To describe the process of laser-induced bubble collapse a mathematical model is used, which is based upon the spherically symmetric motion including compressibility, heat and mass transfer effects. The basic results of the numerical solution are presented for the bubbles with maximum radii of about I mm. According to the observed results the minimum bubble radius in collapse is about 15 mum, and the mass decreases up to 5% of the initial value. Calculations with a small amounts or noncondensable gas inside the bubble predict its strong influence on the dynamics. As shown numerically the theoretical model gives a good agreement with experimental measurements. (C) 2002 Elsevier Science Inc. All rights reserved."],["dc.identifier.doi","10.1016/S0894-1777(02)00182-6"],["dc.identifier.isi","000178284700017"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/40657"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Elsevier Science Inc"],["dc.publisher.place","New york"],["dc.relation.conference","4th International Congress on Multiphase Flow"],["dc.relation.eventlocation","TULANE UNIV, NEW ORLEANS, LA"],["dc.relation.issn","0894-1777"],["dc.title","Dynamics of laser-induced cavitation bubbles"],["dc.type","conference_paper"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","484"],["dc.bibliographiccitation.issue","4"],["dc.bibliographiccitation.journal","Ultrasonics Sonochemistry"],["dc.bibliographiccitation.lastpage","491"],["dc.bibliographiccitation.volume","14"],["dc.contributor.author","Lauterborn, Werner"],["dc.contributor.author","Kurz, Thomas"],["dc.contributor.author","Geisler, Reinhard"],["dc.contributor.author","Schanz, Daniel"],["dc.contributor.author","Lindau, O."],["dc.date.accessioned","2018-11-07T11:03:58Z"],["dc.date.available","2018-11-07T11:03:58Z"],["dc.date.issued","2007"],["dc.description.abstract","Basic facts on the dynamics of bubbles in water are presented. Measurements on the free and forced radial oscillations of single spherical bubbles and their acoustic (shock waves) and optic (luminescence) emissions are given in photographic series and diagrams. Bubble cloud patterns and their dynamics and light emission in standing acoustic fields are discussed. (c) 2006 Elsevier B.V. All rights reserved."],["dc.identifier.doi","10.1016/j.ultsonch.2006.09.017"],["dc.identifier.isi","000245565900012"],["dc.identifier.pmid","17254826"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/51731"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Elsevier Science Bv"],["dc.publisher.place","Amsterdam"],["dc.relation.conference","10th Meeting of the European-Society-of-Sonochemistry"],["dc.relation.eventlocation","Hamburg, GERMANY"],["dc.relation.issn","1350-4177"],["dc.title","Acoustic cavitation, bubble dynamics and sonoluminescence"],["dc.type","conference_paper"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","066307"],["dc.bibliographiccitation.issue","6"],["dc.bibliographiccitation.journal","PHYSICAL REVIEW E"],["dc.bibliographiccitation.volume","74"],["dc.contributor.author","Kurz, Thomas"],["dc.contributor.author","Kroeninger, Dennis"],["dc.contributor.author","Geisler, Reinhard"],["dc.contributor.author","Lauterborn, Werner"],["dc.date.accessioned","2018-11-07T08:55:40Z"],["dc.date.available","2018-11-07T08:55:40Z"],["dc.date.issued","2006"],["dc.description.abstract","Cavitation bubbles are generated in water by low-energy femtosecond laser pulses in the presence of an ultrasonic field. Bubble dynamics and cavitation luminescence are investigated by CCD photography and photomultiplier measurements in dependence on the phase of the acoustic cycle at which the bubbles are generated. The experimental results demonstrate that the initially small laser-generated bubbles can be expanded significantly by the sound field and that weak cavitation luminescence can be observed in two small intervals of the seeding phase. The luminescence yield sensitively depends on the degree of sphericity of bubble collapse."],["dc.identifier.doi","10.1103/PhysRevE.74.066307"],["dc.identifier.isi","000243165900039"],["dc.identifier.pmid","17280148"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/22958"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","American Physical Soc"],["dc.relation.issn","1539-3755"],["dc.title","Optic cavitation in an ultrasonic field"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","042406"],["dc.bibliographiccitation.issue","4"],["dc.bibliographiccitation.journal","PHYSICAL REVIEW E"],["dc.bibliographiccitation.volume","88"],["dc.contributor.author","Ishiyama, Tatsuya"],["dc.contributor.author","Fujikawa, Shigeo"],["dc.contributor.author","Kurz, Thomas"],["dc.contributor.author","Lauterborn, Werner"],["dc.date.accessioned","2018-11-07T09:18:37Z"],["dc.date.available","2018-11-07T09:18:37Z"],["dc.date.issued","2013"],["dc.description.abstract","A boundary condition for the Boltzmann equation (kinetic boundary condition, KBC) at the vapor-liquid interface of argon is constructed with the help of molecular dynamics (MD) simulations. The KBC is examined at a constant liquid temperature of 85 K in a wide range of nonequilibrium states of vapor. The present investigation is an extension of a previous one by Ishiyama, Yano, and Fujikawa [Phys. Rev. Lett. 95, 084504 (2005)] and provides a more complete form of the KBC. The present KBC includes a thermal accommodation coefficient in addition to evaporation and condensation coefficients, and these coefficients are determined in MD simulations uniquely. The thermal accommodation coefficient shows an anisotropic behavior at the interface for molecular velocities normal versus tangential to the interface. It is also found that the evaporation and condensation coefficients are almost constant in a fairly wide range of nonequilibrium states. The thermal accommodation coefficient of the normal velocity component is almost unity, while that of the tangential component shows a decreasing function of the density of vapor incident on the interface, indicating that the tangential velocity distribution of molecules leaving the interface into the vapor phase may deviate from the tangential parts of the Maxwell velocity distribution at the liquid temperature. A mechanism for the deviation of the KBC from the isotropic Maxwell KBC at the liquid temperature is discussed in terms of anisotropic energy relaxation at the interface. The liquid-temperature dependence of the present KBC is also discussed."],["dc.identifier.doi","10.1103/PhysRevE.88.042406"],["dc.identifier.isi","000326048400002"],["dc.identifier.pmid","24229188"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/28444"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Physical Soc"],["dc.relation.issn","1550-2376"],["dc.relation.issn","1539-3755"],["dc.title","Nonequilibrium kinetic boundary condition at the vapor-liquid interface of argon"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","984"],["dc.bibliographiccitation.issue","8"],["dc.bibliographiccitation.journal","Pharmaceuticals"],["dc.bibliographiccitation.volume","15"],["dc.contributor.affiliation","Berger, Alexander; 1Institute of Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany or"],["dc.contributor.affiliation","Knak, Talea; 1Institute of Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany or"],["dc.contributor.affiliation","Kiffe-Delf, Anna-Lene; 2Institute of Pharmaceutical Biology and Biotechnology, Heinrich Heine University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany"],["dc.contributor.affiliation","Mudrovcic, Korana; 1Institute of Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany or"],["dc.contributor.affiliation","Singh, Vinayak; 3South African Medical Research Council Drug Discovery and Development Research Unit, Department of Chemistry and Institute of Infectious Disease and Molecular Medicine, University of Cape Town, Rondebosch 7701, South Africa"],["dc.contributor.affiliation","Njoroge, Mathew; 4Drug Discovery and Development Centre (H3D), University of Cape Town, Rondebosch 7701, South Africa"],["dc.contributor.affiliation","Burckhardt, Bjoern B.; 5Institute of Clinical Pharmacy and Pharmacotherapy, Heinrich Heine University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany"],["dc.contributor.affiliation","Gopalswamy, Mohanraj; 1Institute of Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany or"],["dc.contributor.affiliation","Lungerich, Beate; 1Institute of Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany or"],["dc.contributor.affiliation","Ackermann, Lutz; 6Institut für Organische und Biomolekulare Chemie, Georg-August-Universität Göttingen, Tammannstraße 2, 37077 Göttingen, Germany"],["dc.contributor.affiliation","Gohlke, Holger; 1Institute of Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany or"],["dc.contributor.affiliation","Chibale, Kelly; 3South African Medical Research Council Drug Discovery and Development Research Unit, Department of Chemistry and Institute of Infectious Disease and Molecular Medicine, University of Cape Town, Rondebosch 7701, South Africa"],["dc.contributor.affiliation","Kalscheuer, Rainer; 2Institute of Pharmaceutical Biology and Biotechnology, Heinrich Heine University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany"],["dc.contributor.affiliation","Kurz, Thomas; 1Institute of Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany or"],["dc.contributor.author","Berger, Alexander"],["dc.contributor.author","Knak, Talea"],["dc.contributor.author","Kiffe-Delf, Anna-Lene"],["dc.contributor.author","Mudrovcic, Korana"],["dc.contributor.author","Singh, Vinayak"],["dc.contributor.author","Njoroge, Mathew"],["dc.contributor.author","Burckhardt, Bjoern B."],["dc.contributor.author","Gopalswamy, Mohanraj"],["dc.contributor.author","Lungerich, Beate"],["dc.contributor.author","Ackermann, Lutz"],["dc.contributor.author","Kurz, Thomas"],["dc.contributor.author","Gohlke, Holger"],["dc.contributor.author","Chibale, Kelly"],["dc.contributor.author","Kalscheuer, Rainer"],["dc.contributor.editor","Wu, Yinuo"],["dc.date.accessioned","2022-09-01T09:51:16Z"],["dc.date.available","2022-09-01T09:51:16Z"],["dc.date.issued","2022"],["dc.date.updated","2022-11-11T13:14:48Z"],["dc.description.abstract","The continuous, worldwide spread of multidrug-resistant (MDR) and extensively drug-resistant (XDR) tuberculosis (TB) endanger the World Health Organization’s (WHO) goal to end the global TB pandemic by the year 2035. During the past 50 years, very few new drugs have been approved by medical agencies to treat drug-resistant TB. Therefore, the development of novel antimycobacterial drug candidates to combat the threat of drug-resistant TB is urgent. In this work, we developed and optimized a total synthesis of the antimycobacterial natural flavonoid chlorflavonin by selective ruthenium(II)-catalyzed ortho-C(sp2)-H-hydroxylation of a substituted 3′-methoxyflavonoid skeleton. We extended our methodology to synthesize a small compound library of 14 structural analogs. The new analogs were tested for their antimycobacterial in vitro activity against Mycobacterium tuberculosis (Mtb) and their cytotoxicity against various human cell lines. The most promising new analog bromflavonin exhibited improved antimycobacterial in vitro activity against the virulent H37Rv strain of Mtb (Minimal Inhibitory Concentrations (MIC90) = 0.78 μm). In addition, we determined the chemical and metabolic stability as well as the pKa values of chlorflavonin and bromflavonin. Furthermore, we established a quantitative structure–activity relationship model using a thermodynamic integration approach. Our computations may be used for suggesting further structural changes to develop improved derivatives."],["dc.description.sponsorship","Deutsche Forschungsgemeinschaft"],["dc.description.sponsorship","South African National Research Foundation"],["dc.identifier.doi","10.3390/ph15080984"],["dc.identifier.pii","ph15080984"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/113920"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-597"],["dc.publisher","MDPI"],["dc.relation.eissn","1424-8247"],["dc.rights","Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/)."],["dc.title","Total Synthesis of the Antimycobacterial Natural Product Chlorflavonin and Analogs via a Late-Stage Ruthenium(II)-Catalyzed ortho-C(sp2)-H-Hydroxylation"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]