Department of Chemistry and Pharmacy

Publications at the Department Chemistry and Pharmacy 2021

Ackermann A., Capci Karagöz A., Buchfelder M., Tsogoeva S., Savaskan N.:
Chemical hybridization of sulfasalazine and dihydroartemisinin promotes brain tumor cell death
In: Scientific Reports 11 (2021), Article No.: 20766
ISSN: 2045-2322
DOI: 10.1038/s41598-021-99960-z
Adhikari R., Kuliga J., Ruppel M., Jux N., Marbach H., Steinrück HP.:
Self-Assembled 2D-Coordination Kagome, Quadratic, and Close-Packed Hexagonal Lattices Formed from a Cyano-Functionalized Benzoporphyrin on Cu(111)
In: Journal of Physical Chemistry C (2021)
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.1c00746
Agafontsev AM., Oshchepkov AS., Shumilova TA., Kataev E.:
Binding and Sensing Properties of a Hybrid Naphthalimide-Pyrene Aza-Cyclophane towards Nucleotides in an Aqueous Solution
In: Molecules 26 (2021)
ISSN: 1420-3049
DOI: 10.3390/molecules26040980
Aghazada S., Fehn D., Heinemann FW., Munz D., Meyer K.:
Cobalt Diazo-Compounds: From Nitrilimide to Isocyanoamide via a Diazomethanediide Fleeting Intermediate
In: Angewandte Chemie International Edition (2021)
ISSN: 1433-7851
DOI: 10.1002/anie.202016539
Aghazada S., Munz D., Heinemann FW., Scheurer A., Meyer K.:
A Crystalline Iron Terminal Methylidene
In: Journal of the American Chemical Society (2021)
ISSN: 0002-7863
DOI: 10.1021/jacs.1c08202
Aguilar-Calderón JR., Fehn D., Sorsche D., Miehlich M., Carroll PJ., Zars E., Meyer K., Mindiola DJ.:
Redox-Controlled and Reversible N-N Bond Forming and Splitting with an IronIVTerminal Imido Ligand
In: Inorganic Chemistry (2021)
ISSN: 0020-1669
DOI: 10.1021/acs.inorgchem.1c01509
Akhmetov V., Feofanov M., Sharapa D., Amsharov K.:
Alumina-Mediated π-Activation of Alkynes
In: Journal of the American Chemical Society (2021)
ISSN: 1520-5126
DOI: 10.1021/jacs.1c07845
Alex W., Lorenz P., Henkel C., Clark T., Hirsch A., Guldi DM.:
Solar Energy Storage: Competition between Delocalized Charge Transfer and Localized Excited States in the Norbornadiene to Quadricyclane Photoisomerization
In: Journal of the American Chemical Society (2021)
ISSN: 0002-7863
DOI: 10.1021/jacs.1c04322
Ali M., Kataev E., Müller J., Park H., Halik M., Hirsch A.:
Host-Guest Systems on the Surface of Functionalized Superparamagnetic Iron Oxide Nanoparticles (SPIONs) Utilizing Hamilton Receptors and Cyanurate Derivative Molecules
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202102581
Alkhashrom S., Kicuntod J., Häge S., Schweininger J., Muller Y., Lischka P., Marschall M., Eichler J.:
Exploring the Human Cytomegalovirus Core Nuclear Egress Complex as a Novel Antiviral Target: A New Type of Small Molecule Inhibitors
In: Viruses 13 (2021)
ISSN: 1999-4915
DOI: 10.3390/v13030471
Altmann LM., Zantop V., Wenisch P., Diesendorf N., Heinrich M.:
Visible Light Promoted, Catalyst-Free Radical Carbohydroxylation and Carboetherification under Mild Biomimetic Conditions
In: Chemistry - A European Journal 27 (2021), p. 2452-2462
ISSN: 0947-6539
DOI: 10.1002/chem.202004234
Amini H., Weisbach N., Gauthier S., Kuhn H., Bhuvanesh N., Hampel F., Reibenspies JH., Gladysz JA.:
Trapping of Terminal Platinapolyynes by Copper(I) Catalyzed Click Cycloadditions; Probes of Labile Intermediates in Syntheses of Complexes with Extended sp Carbon Chains, and Crystallographic Studies
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202101725
Anni D., Weiss EM., Guhathakurta D., Akdas EY., Klueva J., Zeitler S., Andres-Alonso M., Huth T., Fejtová A.:
Aβ1-16 controls synaptic vesicle pools at excitatory synapses via cholinergic modulation of synapsin phosphorylation
In: Cellular and Molecular Life Sciences (2021)
ISSN: 1420-682X
DOI: 10.1007/s00018-021-03835-5
Aristova D., Kosach V., Chernii S., Slominsky Y., Balanda A., Filonenko V., Yarmoluk S., Rotaru A., Özkan H., Mokhir A., Kovalska VB.:
Monomethine cyanine probes for visualization of cellular RNA by fluorescence microscopy
In: Methods and Applications in Fluorescence 9 (2021)
ISSN: 2050-6120
DOI: 10.1088/2050-6120/ac10ad
Aydogan A., Bangle RE., Cadranel A., Turlington MD., Conroy DT., Cauët E., Singleton ML., Meyer GJ., Sampaio RN., Elias B., Troian-Gautier L.:
Accessing Photoredox Transformations with an Iron(III) Photosensitizer and Green Light
In: Journal of the American Chemical Society (2021)
ISSN: 1520-5126
DOI: 10.1021/jacs.1c06081
Balovic J., Cocic D., Dordevic S., Radenkovic S., van Eldik R., Puchta R.:
A theoretical mechanistic study of [K ⊂ [2.2.2]]+ enantiomerization
In: Journal of Physical Organic Chemistry (2021)
ISSN: 0894-3230
DOI: 10.1002/poc.4289
Bao L., Martin O., Wei T., Perez-Ojeda Rodriguez ME., Hauke F., Hirsch A.:
A straightforward reductive approach for the deoxygenation, activation and functionalization of ultrashort single-walled carbon nanotubes
In: Carbon 171 (2021), p. 768-776
ISSN: 0008-6223
DOI: 10.1016/j.carbon.2020.09.078
Bao L., Xie YP., Qie L.:
Nanocarbons: Basics and Advanced Applications
In: Frontiers in Chemistry 9 (2021), Article No.: 657941
ISSN: 2296-2646
DOI: 10.3389/fchem.2021.657941
Bao L., Zhao B., Assebban M., Halik M., Hauke F., Hirsch A.:
Covalent 2D Patterning, Local Electronic Structure and Polarization Switching of Graphene at the Nanometer Level
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202100941
Bao L., Zhao B., Yang B., Halik M., Hauke F., Hirsch A.:
Hypervalent Iodine Compounds as Versatile Reagents for Extremely Efficient and Reversible Patterning of Graphene with Nanoscale Precision
In: Advanced Materials (2021), Article No.: 2101653
ISSN: 0935-9648
DOI: 10.1002/adma.202101653
Bartelmann T., Gnannt F., Zitzmann M., Mayer P., Dube H.:
Sulfoxide hemithioindigo tweezers - visible light addressable capture and release
In: Chemical Science 12 (2021), p. 3651-3659
ISSN: 2041-6520
DOI: 10.1039/d0sc04981f
Bauer W., Maid H., Saalfrank RW.:
Interconversion of tetrahedral [(M)(4)boolean AND{Mg-4(L-1)(6)}]/[In-4(L-2)(4)] and cyclic [In6Cl6(L-3)(6)]. Enantiotopization of diastereotopic protons monitored by means of VT H-1 NMR spectroscopy
In: European Journal of Inorganic Chemistry (2021)
ISSN: 1434-1948
DOI: 10.1002/ejic.202100694
Becit B., Zahn D.:
Tailoring mesoporous silica nanomaterials from molecular simulation: Modelling the interplay of condensation reactions, surfactants and space-fillers during self assembly
In: Microporous and Mesoporous Materials 320 (2021)
ISSN: 1387-1811
DOI: 10.1016/j.micromeso.2021.111114
Becker I., Denzler M., Heim L., Klemt I., Voloshin YZ., Selin R., Mokhir A., Fietkau R., Gaipl U., Frey B.:
Cytotoxic and immunogenic Potential of Iron (II) Clathrochelates and Irradiation on Lung Cancer Cell Lines
In: STRAHLENTHERAPIE UND ONKOLOGIE, HEIDELBERG: 2021
Bernhardt S., Düring J., Haschke S., Barr M., Stiegler L., Schühle P., Bachmann J., Hirsch A., Gröhn F.:
Tunable Photocatalytic Activity of PEO-Stabilized ZnO-Polyoxometalate Nanostructures in Aqueous Solution
In: Advanced Materials Interfaces (2021)
ISSN: 2196-7350
DOI: 10.1002/admi.202002130
Bhatia S., Hansen FK., Schiedel M.:
Call for Papers: "epigenetics 2.0" - A Joint Virtual Special Issue on Epigenetics
In: ACS Pharmacology & Translational Science (2021)
ISSN: 2575-9108
DOI: 10.1021/acsptsci.1c00156
Bhattacharyya U., Thomas R., Puchta R.:
The proton sponge 1,8-bis(dimethylamino)naphthalene: The quicker-picker-upper also for s-block metal cations?
In: Chemical Physics Letters 777 (2021)
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2021.138735
Bicak B., Kecel Gunduz S., Budama Kilinc Y., Imhof P., Gok B., Akman G., Ozel AE.:
Structural, spectroscopic, in silico, in vitro and DNA binding evaluations of tyrosyl-lysyl-threonine
In: Journal of Biomolecular Structure & Dynamics (2021)
ISSN: 0739-1102
DOI: 10.1080/07391102.2021.1968499
Bilgilisoy E., Thorman RM., Barclay MS., Marbach H., Fairbrother DH.:
Low Energy Electron- and Ion-Induced Surface Reactions of Fe(CO)(5) Thin Films
In: Journal of Physical Chemistry C 125 (2021), p. 17749-17760
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.1c05826
Bilgilisoy E., Yu JC., Preischl C., McElwee-White L., Steinrück HP., Marbach H.:
Nanoscale Ruthenium-Containing Deposits from Ru(CO)4I2via Simultaneous Focused Electron Beam-Induced Deposition and Etching in Ultrahigh Vacuum: Mask Repair in Extreme Ultraviolet Lithography and beyond
In: ACS Applied Nano Materials (2021)
ISSN: 2574-0970
DOI: 10.1021/acsanm.1c04481
Blanco CO., Llovera L., Herrera AC., Dorta R., Agrifoglio G., Venuti D., Landaeta VR., Pastrán J.:
Ruthenium (II) complexes with C2- and C1-symmetric bis-(+)-camphopyrazole ligands and their evaluation in catalytic transfer hydrogenation of aldehydes
In: Inorganica Chimica Acta 524 (2021), Article No.: 120429
ISSN: 0020-1693
DOI: 10.1016/j.ica.2021.120429
Blaumeiser D., Schuschke C., Fromm L., Taccardi N., Schötz S., Eschenbacher R., Bühlmeyer H., Xu T., Bauer T., Wasserscheid P., Görling A., Libuda J.:
CO Permeability and Wetting Behavior of Ionic Liquids on Pt(111): An IRAS and PM-IRAS Study from Ultrahigh Vacuum to Ambient Pressure
In: Journal of Physical Chemistry C (2021)
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.1c04043
Bock L., Schultheiss SK., Maschauer S., Lasch R., Gradl S., Prante O., Zard SZ., Heinrich M.:
Synthesis of 2-(Chlorodifluoromethyl)indoles for Nucleophilic Halogen Exchange with [18F]Fluoride
In: European Journal of Organic Chemistry 2021 (2021), p. 6258-6262
ISSN: 1434-193X
DOI: 10.1002/ejoc.202100937
Bombsch J., Avancini E., Carron R., Handick E., Garcia-Diez R., Hartmann C., Felix R., Abou-Ras D., Ueda S., Wilks RG., Bär M.:
Unraveling the Impact of Combined NaF/RbF Postdeposition Treatments on the Deeply Buried Cu(In,Ga)Se-2/Mo Thin-Film Solar Cell Interface
In: Advanced Energy and Sustainability Research 2 (2021)
ISSN: 2699-9412
DOI: 10.1002/aesr.202100101
Boritzki V., Hübner H., Allikalt A., Gmeiner P., Wöhrl BM.:
Optimizing the expression of human dopamine receptors in escherichia coli
In: International Journal of Molecular Sciences 22 (2021), Article No.: 8647
ISSN: 1422-0067
DOI: 10.3390/ijms22168647
Bottari G., de la Torre G., Guldi DM., Torres T.:
An exciting twenty-year journey exploring porphyrinoid-based photo- and electro-active systems
In: Coordination Chemistry Reviews 428 (2021), Article No.: 213605
ISSN: 0010-8545
DOI: 10.1016/j.ccr.2020.213605
Buck N., Wohlt D., Winter AR., Ortner E.:
Aroma-active compounds in robusta coffee pulp puree—evaluation of physicochemical and sensory properties
In: Molecules 26 (2021), Article No.: 3925
ISSN: 1420-3049
DOI: 10.3390/molecules26133925
Budzinski J., Maschauer S., Kobayashi H., Couvineau P., Vogt H., Gmeiner P., Roggenhofer A., Prante O., Bouvier M., Weikert D.:
Bivalent ligands promote endosomal trafficking of the dopamine D3 receptor-neurotensin receptor 1 heterodimer
In: Communications Biology 4 (2021), Article No.: 1062
ISSN: 2399-3642
DOI: 10.1038/s42003-021-02574-4
Burns JM., Clark T., Williams CM.:
Comprehensive Computational Investigation of the Barton-Kellogg Reaction for Both Alkyl and Aryl Systems
In: Journal of Organic Chemistry 86 (2021), p. 7515-7528
ISSN: 0022-3263
DOI: 10.1021/acs.joc.1c00506
Büttner P., Scheler F., Pointer C., Döhler D., Yokosawa T., Spiecker E., P. Boix P., Young ER., Minguez Bacho I., Bachmann J.:
ZnS Ultrathin Interfacial Layers for Optimizing Carrier Management in Sb2S3-based Photovoltaics
In: ACS Applied Materials and Interfaces 13 (2021), p. 11861–11868
ISSN: 1944-8244
DOI: 10.1021/acsami.0c21365
URL: https://pubs.acs.org/doi/full/10.1021/acsami.0c21365
Cao Y., Zhu S., Bachmann J.:
HfS2 thin films deposited at room temperature by an emerging technique, solution atomic layer deposition
In: Dalton Transactions (2021)
ISSN: 1477-9226
DOI: 10.1039/d1dt01232k
Capci A., Herrmann L., Sampath Kumar H., Fröhlich T., Tsogoeva S.:
Artemisinin-derived dimers from a chemical perspective
In: Medicinal Research Reviews (2021)
ISSN: 0198-6325
DOI: 10.1002/med.21814
Cevallos-Toledo RB., Rosa-Pardo I., Arenal R., Oestreicher V., Fickert M., Abellan G., Galian RE., Perez-Prieto J.:
Ruddlesden–Popper Hybrid Lead Bromide Perovskite Nanosheets of Phase Pure n=2: Stabilized Colloids Stored in the Solid State
In: Angewandte Chemie International Edition (2021)
ISSN: 1433-7851
DOI: 10.1002/anie.202113451
Chen X., Bartlam C., Lloret Segura VJ., Moses Badlyan N., Wolff S., Gillen R., Stimpel-Lindner T., Maultzsch J., Duesberg GS., Knirsch K., Hirsch A.:
Covalent Bisfunctionalization of Two-Dimensional Molybdenum Disulfide
In: Angewandte Chemie International Edition (2021), p. 2-11
ISSN: 1433-7851
DOI: 10.1002/anie.202103353
Chen X., Gierlich CH., Schötz S., Blaumeiser D., Bauer T., Libuda J., Palkovits R.:
Hydrogen Production Based on Liquid Organic Hydrogen Carriers through Sulfur Doped Platinum Catalysts Supported on TiO2
In: ACS Sustainable Chemistry & Engineering (2021)
ISSN: 2168-0485
DOI: 10.1021/acssuschemeng.0c09048
Chen X., Kohring M., Assebban M., Tywoniuk B., Bartlam C., Moses Badlyan N., Maultzsch J., Duesberg GS., Weber HB., Knirsch K., Hirsch A.:
Covalent Patterning of 2D MoS2
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202102021
Cocic D., Chrzanowska M., Katafias A., Puchta R., van Eldik R.:
Tuning the lability of a series of Ru(II) polypyridyl complexes: a comparison of experimental-kinetic and DFT-predicted reaction mechanisms
In: Journal of Coordination Chemistry (2021)
ISSN: 0095-8972
DOI: 10.1080/00958972.2021.1874369
Cokca C., Hack FJ., Costabel D., Herwig K., Huelsmann J., Then P., Heintzmann R., Fischer D., Peneva K.:
PEGylation of Guanidinium and Indole Bearing Poly(methacrylamide)s - Biocompatible Terpolymers for pDNA Delivery
In: Macromolecular Bioscience (2021)
ISSN: 1616-5187
DOI: 10.1002/mabi.202100146
Cotic A., Ramírez-Wierzbicki I., Pieslinger GE., Aramburu-Trošelj BM., Cadranel A.:
Ligand field states dominate excited state decay in trans-[Ru(py)4Cl2] MLCT chromophores
In: Inorganica Chimica Acta 518 (2021), Article No.: 120246
ISSN: 0020-1693
DOI: 10.1016/j.ica.2021.120246
Dalabasmaz S., Pischetsrieder M.:
A systematic approach to identify novel marker peptides for the heat treatment and storage of milk
In: Lebensmittelchemie 75 (2021)
ISSN: 0937-1478
DOI: 10.1002/lemi.202151006
De Riz A., Hurst J., Schoebitz M., Thirion C., Bachmann J., Toussaint JC., Fruchart O., Gusakova D.:
Mechanism of fast domain wall motion via current-assisted Bloch-point domain wall stabilization
In: Physical Review B 103 (2021)
ISSN: 0163-1829
DOI: 10.1103/PhysRevB.103.054430
Debong M., Lang R., N'Diaye K., Büttner A., Hofmann T., Loos H.:
Tracing odour- and taste-active compounds in human milk
16th Weurman Online (, 4. May 2021 - 6. May 2021)
In: Proceedings of the 16th Weurman Flavour Research Symposium 2021
DOI: 10.5281/ZENODO.5346462
Debong M., N'Diaye K., Owsienko D., Schoberl D., Ammar T., Lang R., Büttner A., Hofmann T., Loos H.:
Dietary Linalool is Transferred into the Milk of Nursing Mothers
In: Molecular Nutrition & Food Research 65 (2021), Article No.: 2100507
ISSN: 1613-4125
DOI: 10.1002/mnfr.202100507
Dimitriev OP., Zirzlmeier J., Menon A., Slominskii Y., Guldi DM.:
Exciton Dynamics in J- And H-Aggregates of a Tricarbocyanine Near-Infrared Dye
In: Journal of Physical Chemistry C (2021)
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.0c11593
Ding H., Yan K., Li B., Hu W., Jia L., Zareen S., Freiberger M., Huang J., Hu J., Xu Q., Li Y., Yang S., Li C., Ye Y., Zhu J.:
In Situ Investigation of the Cu/CH3NH3PbI3 Interface in Perovskite Device
In: Advanced Materials Interfaces (2021)
ISSN: 2196-7350
DOI: 10.1002/admi.202100120
Distler A., Cheon K-., Waller D., Guldi DM., Hauch J., Egelhaaf H-.:
Influence of the fullerene LUMO level on the stability of bulk heterojunction solar cells
In: Journal of Materials Chemistry C (2021)
ISSN: 2050-7526
DOI: 10.1039/d1tc01459e
Dobeneck M., Kaur R., Platzer B., Guldi DM., Hirsch A.:
A Small Dye Puzzle: π-Conjugation of Perylenes with External Aromatic Compounds via Imidazo-Quinoxaline Bridges
In: Chemphotochem 5 (2021), p. 36-42
ISSN: 2367-0932
DOI: 10.1002/cptc.202000243
Dobeneck M., Kaur R., Platzer B., Guldi DM., Hirsch A.:
Strong Electronic Communication in Linearly Elongated Rylenes Featuring Tunable Bridges
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202005335
Dreyer B., Speck M.:
Farbe und Intention. Rekonstruktion antiker enkaustischer Bemalung auf der F.A.N. und DANUVINA ALACRIS
In: Skyllis : Zeitschrift für maritime und limnische Archäologie und Kulturgeschichte (2021), p. 62 - 71
ISSN: 1436-3372
Dusold C., Haines P., Platzer B., Guldi DM., Hirsch A.:
Helically and Linearly Fused Rylenediimide-Hexabenzocoronenes
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202005235
Dusold C., Platzer B., Haines P., Reger D., Jux N., Guldi DM., Hirsch A.:
A Functional Hexaphenylbenzene Library Comprising of One, Three, and Six Peripheral Rylene-Diimide Substituents
In: Chemistry - A European Journal 27 (2021), p. 1670-1679
ISSN: 0947-6539
DOI: 10.1002/chem.202004273
Dusold C., Sharapa DI., Hampel F., Hirsch A.:
pi-Extended Diaza[7]helicenes by Hybridization of Naphthalene Diimides and Hexa-peri-hexabenzocoronenes
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202003402
Dusold C., Weiß C., Hampel F., Hirsch A.:
Synthesis and crystal packing of perylene-derivatives with extreme sterically demanding pentaphenylbenzene bay-substituents
In: Chemical Communications 57 (2021), p. 583-586
ISSN: 1359-7345
DOI: 10.1039/d0cc07773a
Döhler D., Triana Merlo AD., Büttner P., Scheler F., Görlitzer E., Harrer J., Vasileva AA., Ali E., Gruber W., Unruh T., Manshina AA., Vogel N., Bachmann J., Minguez Bacho I.:
A Self‐Ordered Nanostructured Transparent Electrode of High Structural Quality and Corresponding Functional Performance
In: Small NA (2021), Article No.: 202100487
ISSN: 1613-6829
DOI: 10.1002/smll.202100487
URL: https://onlinelibrary.wiley.com/doi/10.1002/smll.202100487
Dürr P., Schlichtig K., Kelz C., Deutsch B., Maas R., Eckart MJ., Wilke J., Wagner H., Wolff K., Preuß C., Brückl V., Meidenbauer N., Staerk C., Mayr A., Fietkau R., Goebell P., Kunath F., Beckmann M., Mackensen A., Neurath M., Pavel ME., Dörje F., Fromm M.:
The Randomized AMBORA Trial: Impact of Pharmacological/Pharmaceutical Care on Medication Safety and Patient-Reported Outcomes During Treatment With New Oral Anticancer Agents
In: Journal of Clinical Oncology 39 (2021), p. 1983-1994
ISSN: 0732-183X
DOI: 10.1200/JCO.20.03088
Englhard J., Cao Y., Bochmann S., Barr M., Cadot S., Quadrelli EA., Bachmann J.:
Stabilizing an ultrathin MoS2 layer during electrocatalytic hydrogen evolution with a crystalline SnO2 underlayer
In: RSC Advances 11 (2021), p. 17985-17992
ISSN: 2046-2069
DOI: 10.1039/D1RA00877C
Eschenbacher R., Schuschke C., Bühlmeyer H., Taccardi N., Wasserscheid P., Bauer T., Xu T., Libuda J.:
Interaction between Ionic Liquids and a Pt(111) Surface Probed by Coadsorbed CO as a Test Molecule
In: Journal of Physical Chemistry Letters (2021), p. 10079-10085
ISSN: 1948-7185
DOI: 10.1021/acs.jpclett.1c02983
Esper JD., Helmer A., Wu Y., Bachmann J., Klupp Taylor R.:
Electrophoretic Deposition of Out‐of‐Plane Oriented Active Material for Lithium‐Ion Batteries
In: Energy Technology 9 (2021), Article No.: 2000936
ISSN: 2194-4288
DOI: 10.1002/ente.202000936
URL: https://onlinelibrary.wiley.com/doi/10.1002/ente.202000936
Fauser S., Trushin E., Neiß C., Görling A.:
Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvalues
In: Journal of Chemical Physics 155 (2021), Article No.: 134111
ISSN: 0021-9606
DOI: 10.1063/5.0059641
Felix R., Gorgoi M., Wilks RG., Bär M.:
Hard x-ray photoelectron spectroscopy at a soft x-ray source: Present and future perspectives of hard x-ray photoelectron spectroscopy at BESSY II
In: Journal of Vacuum Science & Technology A 39 (2021)
ISSN: 0734-2101
DOI: 10.1116/6.0001184
Feofanov M., Akhmetov V., Amsharov K.:
Domino Dehydrative pi-Extension: A Facile Path to Extended Perylenes and Terrylenes
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202103098
Feofanov M., Akhmetov V., Takayama R., Amsharov K.:
Catalyst-Free Synthesis of O-Heteroacenes by Ladderization of Fluorinated Oligophenylenes
In: Angewandte Chemie International Edition 60 (2021), p. 5199-5203
ISSN: 1433-7851
DOI: 10.1002/anie.202007427
Feofanov M., Akhmetov V., Takayama R., Amsharov K.:
Facile Synthesis of Thienoacenes via Transition-Metal-Free Ladderization
In: Journal of Organic Chemistry 86 (2021), p. 14759-14766
ISSN: 0022-3263
DOI: 10.1021/acs.joc.1c01565
Feofanov M., Akhmetov V., Takayama R., Amsharov K.:
Transition-metal free synthesis of N-aryl carbazoles and their extended analogs
In: Organic & Biomolecular Chemistry (2021)
ISSN: 1477-0520
DOI: 10.1039/d1ob00940k
Feofanov M., Foertsch A., Amsharov K., Akhmetov V.:
Solid-state construction of zigzag periphery via intramolecular C-H insertion induced by alumina-mediated C-F activation
In: Chemical Communications (2021)
ISSN: 1359-7345
DOI: 10.1039/d1cc05233k
Feofanov M., Lungerich D., Akhmetov V., Amsharov K.:
Synthesis of Dumbbell-Like DBATT Dimers**
In: ChemistrySelect 6 (2021), p. 10671-10673
ISSN: 2365-6549
DOI: 10.1002/slct.202103363
Fernández CC., Franke M., Steinrück HP., Lytken O., Williams FJ.:
Demetalation of Surface Porphyrins at the Solid-Liquid Interface
In: Langmuir 37 (2021), p. 852-857
ISSN: 0743-7463
DOI: 10.1021/acs.langmuir.0c03197
Fickenscher G., Hohner C., Xu T., Libuda J.:
Adsorption of D2O and CO on Co3O4(111): Water Stabilizes Coadsorbed CO
In: Journal of Physical Chemistry C 125 (2021), p. 26785-26792
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.1c07393
Fickert M., Assebban M., Canet-Ferrer J., Abellán G.:
Phonon properties and photo-thermal oxidation of micromechanically exfoliated antimonene nanosheets
In: 2D Materials 8 (2021)
ISSN: 2053-1583
DOI: 10.1088/2053-1583/abb877
Fischer O., Heinrich M.:
2-Fluoro-5-nitrophenyldiazonium: A Novel Sanger-Type Reagent for the Versatile Functionalization of Alcohols
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202100187
Freiberger EM., Späth F., Bauer U., Düll F., Bachmann P., Steinhauer J., Hemauer F., Waleska N., Schwaab V., Steinrück HP., Papp C.:
Selective Oxygen and Hydrogen Functionalization of the h-BN/Rh(111) Nanomesh
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202101946
Friedrich A., Eyselein J., Elsen H., Langer J., Pahl J., Wiesinger M., Harder S.:
Cationic Aluminium Complexes as Catalysts for Imine Hydrogenation
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202100641
Friedrich A., Eyselein J., Langer J., Färber C., Harder S.:
Cationic Heterobimetallic Mg(Zn)/Al(Ga) Combinations for Cooperative C-F Bond Cleavage
In: Angewandte Chemie International Edition (2021)
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DOI: 10.1002/anie.202103250
Friedrich A., Eyselein J., Langer J., Harder S.:
Comparison of Magnesium and Zinc in Cationic π-Arene and Halobenzene Complexes
In: Organometallics 40 (2021), p. 448-457
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Friedrich A., Pahl J., Eyselein J., Langer J., van Eikema Hommes N., Görling A., Harder S.:
Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex
In: Chemical Science 12 (2021), p. 2410-2418
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Fuchs MA., Broeker KA., Schrankl J., Burzlaff N., Willam C., Wagner C., Kurtz A.:
Inhibition of transforming growth factor β1 signaling in resident interstitial cells attenuates profibrotic gene expression and preserves erythropoietin production during experimental kidney fibrosis in mice
In: Kidney International (2021)
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Galwadu Arachchige V., Kamila H., Sankhla A., Millerand L., Tumminello S., Mitra K., Yasseri M., Müller E., De Boor J.:
Optimization of the Thermoelectric Properties of p-Type Mg2- yLi yGe1- xSn xand Mg2- yLi yGe1- zSi zwith x, z = 0.1 and 0.2
In: ACS Applied Energy Materials (2021)
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Gasparini N., Camargo FV., Frühwald S., Nagahara T., Classen A., Roland S., Wadsworth A., Gregoriou VG., Chochos CL., Neher D., Salvador M., Baran D., McCulloch I., Görling A., Lüer L., Cerullo G., Brabec C.:
Adjusting the energy of interfacial states in organic photovoltaics for maximum efficiency
In: Nature Communications 12 (2021), Article No.: 1772
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Gaston JJ., Tague AJ., Smyth JE., Butler NM., Willis AC., van Eikema Hommes N., Yu H., Clark T., Keller PA.:
The Detosylation of Chiral 1,2-Bis(tosylamides)
In: Journal of Organic Chemistry 86 (2021), p. 9163-9180
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Gensberger-Reigl S., Auditore A., Huppert J., Pischetsrieder M.:
Metal cations promote α-dicarbonyl formation in glucose-containing peritoneal dialysis fluids.
In: Glycoconjugate Journal 38 (2021), p. 319-329
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George B., Savsek U., Fischer D., Ermert H., Rupitsch SJ.:
Investigation of Inertial Cavitation of Sonosensitive and Biocompatible Nanoparticles in Flow - Through Tissue- Mimicking Phantoms Employing Focused Ultrasound
In: Current Directions in Biomedical Engineering 7 (2021), p. 163-166
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Gerwien A., Jehle B., Irmler M., Mayer P., Dube H.:
An Eight-State Molecular Sequential Switch Featuring a Dual Single-Bond Rotation Photoreaction
In: Journal of the American Chemical Society (2021)
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Ghadiriasli R., Mahmoud MA., Wagenstaller M., van de Kuilen JW., Büttner A.:
Chemo-sensory characterization of aroma active compounds of native oak wood in relation to their geographical origins
In: Food Research International 150 (2021), Article No.: 110776
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Ghosh S., Jana B., Ghosh A., Guldi DM., Patra A.:
The Impact of Aggregation of Quaterthiophenes on the Excited State Dynamics
In: Journal of Physical Chemistry Letters 12 (2021), p. 3424-3430
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Gibaja C., Rodríguez-San-Miguel D., Paz WS., Torres I., Salagre E., Segovia P., Michel EG., Assebban M., Ares P., Hernández-Maldonado D., Ramasse Q., Abellán G., Gómez-Herrero J., Varela M., Palacios JJ., Zamora F.:
Exfoliation of Alpha-Germanium: A Covalent Diamond-Like Structure
In: Advanced Materials (2021)
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Gradl S., Köckenberger J., Oppl J., Schiller M., Heinrich M.:
Synthetic Route to Phenyl Diazenes and Pyridazinium Salts from Phenylazosulfonates
In: Journal of Organic Chemistry (2021)
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Granath T., Loebmann P., Mandel K.:
Oxidative Precipitation as a Versatile Method to Obtain Ferromagnetic Fe3O4 Nano- and Mesocrystals Adjustable in Morphology and Magnetic Properties
In: Particle & Particle Systems Characterization (2021)
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Granath T., Mandel K., Loebmann P.:
Overcoming the Inhibition Effects of Citrate: Precipitation of Ferromagnetic Magnetite Nanoparticles with Tunable Morphology, Magnetic Properties, and Surface Charge via Ferrous Citrate Oxidation
In: Particle & Particle Systems Characterization (2021)
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Gratz L., Laasfeld T., Allikalt A., Gruber CG., Pegoli A., Tahk MJ., Tsernant ML., Keller M., Rinken A.:
BRET- and fluorescence anisotropy-based assays for real-time monitoring of ligand binding to M-2 muscarinic acetylcholine receptors
In: Biochimica Et Biophysica Acta-Molecular Cell Research 1868 (2021)
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Grau B., Dill M., Hampel F., Kahnt A., Jux N., Tsogoeva S.:
Four-Step Domino Reaction Enables Fully Controlled Non-Statistical Synthesis of Hexaarylbenzene with Six Different Aryl Groups**
In: Angewandte Chemie International Edition (2021)
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Greco R., Lloret V., Angel Rivero-Crespo M., Hirsch A., Domenech-Carbo A., Abellan G., Leyva-Perez A.:
Acid Catalysis with Alkane/Water Microdroplets in Ionic Liquids
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Grune C., Zens C., Czapka A., Scheuer K., Thamm J., Hoeppener S., Jandt KD., Werz O., Neugebauer U., Fischer D.:
Sustainable preparation of anti-inflammatory atorvastatin PLGA nanoparticles
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Guldi DM.:
Photochem—A New Multidisciplinary Open Access Journal for Photochemistry
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Hahn F., Hamilton ST., Wangen C., Wild M., Kicuntod J., Brückner N., Follett JE., Herrmann L., Kheimar A., Kaufer BB., Rawlinson WD., Tsogoeva S., Marschall M.:
Development of a PROTAC-based targeting strategy provides a mechanistically unique mode of anti-cytomegalovirus activity
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Hahn F., Häge S., Herrmann A., Wangen C., Kicuntod J., Jungnickl D., Tillmanns J., Müller R., Fraedrich K., Überla K., Kohlhof H., Enßer A., Marschall M.:
Methodological development of a multi-readout assay for the assessment of antiviral drugs against sars-cov-2
In: Pathogens 10 (2021), Article No.: 1076
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Haines P., Kaur R., Martin M., Minameyer M., Frühwald S., Bönisch S., Lungerich D., Hampel F., Görling A., Drewello T., Jux N., Guldi DM.:
Screening Nanographene-Mediated Inter(Porphyrin) Communication to Optimize Inter(Porphyrin–Fullerene) Forces
In: Advanced Energy Materials (2021)
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Haines P., Reger D., Träg J., Strauss V., Lungerich D., Zahn D., Jux N., Guldi DM.:
On the photophysics of nanographenes-investigation of functionalized hexa-: Peri -hexabenzocoronenes as model systems
In: Nanoscale 13 (2021), p. 801-809
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Halik M., Sarcletti M., Zahn D.:
Magnetic water cleaning
In: Nachrichten aus der Chemie 69 (2021), p. 43-46
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Hanusch F., Munz D., Sutter J., Meyer K., Inoue S.:
A Zwitterionic Heterobimetallic Gold–Iron Complex Supported by Bis(N-Heterocyclic Imine)Silyliumylidene
In: Angewandte Chemie International Edition (2021)
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Hartline D., Meyer K.:
From Chemical Curiosities and Trophy Molecules to Uranium-Based Catalysis: Developments for Uranium Catalysis as a New Facet in Molecular Uranium Chemistry
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Hassan I., Ferraro F., Imhof P.:
Effect of the Hydration Shell on the Carbonyl Vibration in the Ala-Leu-Ala-Leu Peptide
In: Molecules 26 (2021)
ISSN: 1420-3049
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Hatscher L., Lehmann C., Purbojo A., Onderka C., Liang C., Hartmann A., Cesnjevar R., Bruns H., Gross O., Nimmerjahn F., Burmazovic II., Kunz M., Heger L., Dudziak D.:
Select hyperactivating NLRP3 ligands enhance the TH1-and TH17-inducing potential of human type 2 conventional dendritic cells
In: Science Signaling 14 (2021), p. 1-17
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Hawly T., Streller F., Johnson M., Miguez Lago S., Hammer N., Hampel F., Vivod D., Zahn D., Kivala M., Branscheid R., Spiecker E., Fink R.:
Tailored solution‐based N‐heterotriangulene thin films: Unravelling the self‐assembly
In: ChemPhysChem (2021), Article No.: cphc.202100164
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He Y., Wang B., Lüer L., Feng G., Osvet A., Heumüller T., Liu C., Li W., Guldi DM., Li N., Brabec C.:
Unraveling the Charge-Carrier Dynamics from the Femtosecond to the Microsecond Time Scale in Double-Cable Polymer-Based Single-Component Organic Solar Cells
In: Advanced Energy Materials (2021)
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Herrmann L., Hahn F., Wangen C., Marschall M., Tsogoeva S.:
Anti-SARS-CoV-2 Inhibitory Profile of New Quinoline Compounds in Cell Culture-Based Infection Models
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
DOI: 10.1002/chem.202103861
Hescham SA., Chiang PH., Gregurec D., Moon J., Christiansen MG., Jahanshahi A., Liu H., Rosenfeld D., Pralle A., Anikeeva P., Temel Y.:
Magnetothermal nanoparticle technology alleviates parkinsonian-like symptoms in mice
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Heymich ML., Friedlein U., Trollmann M., Schwaiger K., Böckmann R., Pischetsrieder M.:
Generation of antimicrobial peptides Leg1 and Leg2 from chickpea storage protein, active against food spoilage bacteria and foodborne pathogens
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Heymich ML., Nißl L., Hahn D., Noll M., Pischetsrieder M.:
Antioxidative, antifungal and additive activity of the antimicrobial peptides leg1 and leg2 from chickpea
In: Foods 10 (2021), Article No.: 585
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Heymich ML., Srirangan S., Pischetsrieder M.:
Stability and activity of the antimicrobial peptide leg1 in solution and on meat and its optimized generation from chickpea storage protein
In: Foods 10 (2021), Article No.: 1192
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Hierlmeier G., Coburger P., Scott DJ., Maier TM., Pelties S., Wolf R., Pividori DM., Meyer K., van Leest NP., de Bruin B.:
Di-tert-butyldiphosphatetrahedrane as a Source of 1,2-Diphosphacyclobutadiene Ligands
In: Chemistry - A European Journal (2021)
ISSN: 0947-6539
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Hofer A., Bochmann S., Bachmann J.:
Properties, performance and stability of iridium-coated water oxidation electrodes based on anodized titanium felts
In: Sustainable Energy & Fuels 5 (2021), p. 478-485
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Hoff J., Karl B., Gerstmeier J., Beekmann U., Schmölz L., Börner F., Kralisch D., Bauer M., Werz O., Fischer D., Lorkowski S., Press AT.:
Controlled release of the α-tocopherol-derived metabolite α-13′-carboxychromanol from bacterial nanocellulose wound cover improves wound healing
In: Nanomaterials 11 (2021), Article No.: 1939
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Hoffmann R., Ruegamer T., Schaubaecher J., Rohrhofer A., Kirmeß P., Fiebig K., Schmidt B., Eichler J.:
Exploring Viral Interference Using Peptides: Molecular Determinants of HIV-1 Inhibition by a Peptide Derived from Human Pegivirus-1 Envelope Protein E2
In: ChemMedChem (2021)
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Hofmann L., Altmann LM., Fischer O., Prusko L., Xiao G., Westwood NJ., Heinrich M.:
Cleavage of Organosolv Lignin to Phenols Using Nitrogen Monoxide and Hydrazine
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Hohner C., Fromm L., Schuschke C., Taccardi N., Xu T., Wasserscheid P., Görling A., Libuda J.:
Adsorption Motifs and Molecular Orientation at the Ionic Liquid/Noble Metal Interface: [C(2)C(1)Im][NTf2] on Pt(111)
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Hohner C., Ronovsky M., Brummel O., Skala T., Smid B., Tsud N., Vorokhta M., Prince KC., Myslivecek J., Johanek V., Lykhach Y., Libuda J.:
Reactive interaction of isopropanol with Co3O4(1 1 1) and Pt/Co3O4(1 1 1) model catalysts
In: Journal of Catalysis 398 (2021), p. 171-184
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Holthoff JM., Weiss R., Rosokha S., Huber SM.:
"Anti-electrostatic" Halogen Bonding between Ions of Like Charge
In: Chemistry - A European Journal (2021)
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Hosseinmardi S., Scheurer A., Heinemann FW., Kuepper K., Senft L., Waldschmidt P., Ivanovic-Burmazovic I., Meyer K.:
Evaluation of Manganese Cubanoid Clusters for Water Oxidation Catalysis: From Well-Defined Molecular Coordination Complexes to Catalytically Active Amorphous Films
In: Chemsuschem (2021)
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Huang W., Manglik A., Venkatakrishnan AJ., Laeremans T., Feinberg EN., Sanborn AL., Kato HE., Livingston KE., Thorsen TS., Kling R., Granier S., Gmeiner P., Husbands SM., Traynor JR., Weis WI., Steyaert J., Dror RO., Kobilka BK.:
Visualization of β-adrenergic receptor dynamics and differential localization in cardiomyocytes
In: Proceedings of the National Academy of Sciences of the United States of America 118 (2021)
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Huber LA., Thumser S., Grill K., Voßiek D., Bach N., Mayer P., Dube H.:
Steric Effects on the Thermal Processes of Hemithioindigo Based Molecular Motor Rotation
In: Chemistry - A European Journal (2021)
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Huhmann S., Nyakatura EK., Rohrhofer A., Moschner J., Schmidt B., Eichler J., Roth C., Koksch B.:
Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection
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Huhn K., Linz P., Pemsel F., Michalke B., Seyferth S., Kopp C., Chaudri MA., Rothhammer V., Dörfler A., Uder M., Nagel AM., Müller DN., Waschbisch A., Lee DH., Bäuerle T., Linker RA., Haase S.:
Skin sodium is increased in male patients with multiple sclerosis and related animal models
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Hwang H., Cho YC., Lee S., Lee YH., Kim S., Kim Y., Jo W., Duchstein P., Zahn D., Lee GW.:
Hydration breaking and chemical ordering in a levitated NaCl solution droplet beyond the metastable zone width limit: evidence for the early stage of two-step nucleation
In: Chemical Science 12 (2021), p. 179-187
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Hölzel H., Muth M., Lungerich D., Jux N.:
Addressing Environmental Challenges of Porphyrin Mixtures Obtained from Statistical Syntheses
In: Chemistry Methods 1 (2021), p. 142-147
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Inozemtseva AI., Kataev E., Frolov AS., Amati M., Gregoratti L., Beranová K., Dieste VP., Escudero C., Fedorov A., Tarasov AV., Usachov DY., Vyalikh DV., Shao-Horn Y., Itkis DM., Yashina LV.:
On the catalytic and degradative role of oxygen-containing groups on carbon electrode in non-aqueous ORR
In: Carbon 176 (2021), p. 632-641
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Jana B., Reva Y., Scharl T., Strauss V., Cadranel A., Guldi DM.:
Carbon Nanodots for All-in-One Photocatalytic Hydrogen Generation
In: Journal of the American Chemical Society 143 (2021), p. 20122-20132
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Janzen D., Slavik B., Zehe M., Sotriffer C., Loos H., Büttner A., Villmann C.:
Sesquiterpenes and sesquiterpenoids harbor modulatory allosteric potential and affect inhibitory GABA(A) receptor function in vitro
In: Journal of Neurochemistry (2021)
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Johann F., Wöll S., Winzer M., Snell J., Valldorf B., Gieseler H.:
Miniaturized Forced Degradation of Therapeutic Proteins and ADCs by Agitation-Induced Aggregation Using Orbital Shaking of Microplates
In: Journal of Pharmaceutical Sciences (2021)
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Johnson M., Hawly T., Wu M., Spiecker E., Fink R.:
Structural characterization of alpha,omega-DH6T monolayer films grown at the liquid-liquid interface
In: Soft Matter (2021)
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Jovanovic-Stevic S., Cocic D., Puchta R., Bogojeski J., Jurisevic M., Gajovic N., Jakovljevic S., Arsenijevic N., Jovanovic I., Petrovic B.:
Assessment of biological activity of the caffeine-derived Pt (II) and Pd (II) complexes
In: Applied Organometallic Chemistry (2021)
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Jovanovic-Stevic S., Radisavljevic S., Scheurer A., Cocic D., Smit B., Petkovic M., Zivanovic MN., Virijevic K., Petrovic B.:
Bis(triazinyl)pyridine complexes of Pt(II) and Pd(II): studies of the nucleophilic substitution reactions, DNA/HSA interactions, molecular docking and biological activity
In: Journal of Biological Inorganic Chemistry (2021)
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Jurgeleit R., Grimm-Lebsanft B., Floeser BM., Teubner M., Buchenau S., Senft L., Hoffmann J., Naumova M., Naether C., Ivanovic-Burmazovic I., Ruebhausen M., Tuczek F.:
Catalytic Oxygenation of Hydrocarbons by Mono-mu-oxo Dicopper(II) Species Resulting from O-O Cleavage of Tetranuclear Cu-I/Cu-II Peroxo Complexes
In: Angewandte Chemie International Edition (2021)
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Karalis K., Zahn D., Prasianakis NI., Niceno B., Churakov SV.:
Deciphering the molecular mechanism of water boiling at heterogeneous interfaces
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Karbalaei S., Knecht E., Franke A., Zahl A., Saunders AC., Pokkuluri PR., Beyers RJ., Ivanović-Burmazović I., Goldsmith CR.:
A Macrocyclic Ligand Framework That Improves Both the Stability and T1-Weighted MRI Response of Quinol-Containing H2O2Sensors
In: Inorganic Chemistry (2021)
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Keilwerth M., Grunwald L., Mao W., Heinemann FW., Sutter J., Bill E., Meyer K.:
Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex
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Kicuntod J., Alkhashrom S., Häge S., Diewald B., Müller R., Hahn F., Lischka P., Sticht H., Eichler J., Marschall M.:
Properties of Oligomeric Interaction of the Cytomegalovirus Core Nuclear Egress Complex (NEC) and Its Sensitivity to an NEC Inhibitory Small Molecule
In: Viruses 13 (2021)
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Klarner M., Blach P., Wittkämper H., De Jonge N., Papp C., Kempe R.:
Key Parameters for the Synthesis of Active and Selective Nanostructured 3d Metal Catalysts Starting from Coordination Compounds - Case Study: Nickel Mediated Reductive Amination
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Klein S., Distel L., Neuhuber W.:
X-ray dose-enhancing impact of functionalized Au-Fe3O4nanoheterodimers on MCF-7 and A549 multicellular tumor spheroids
In: ACS Applied Bio Materials (2021)
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Klein S., Distel L., Neuhuber W., Kryschi C.:
Caffeic Acid, Quercetin and 5-Fluorocytidine-Functionalized Au-Fe3O4 Nanoheterodimers for X-ray-Triggered Drug Delivery in Breast Tumor Spheroids
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Klein S., Otto J., Harreiß C., Distel L., Leistner A., Neuhuber W., Spiecker E., Kryschi C.:
Pt-Fe3O4, Pd-Fe3O4, and Au-Fe3O4Nanoheterodimers and Their Efficacy as Radiosensitizers in Cancer Therapy
In: ACS Applied Bio Materials (2021)
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Klementyeva SV., Schrenk C., Zhang M., Khusniyarov M., Schnepf A.:
(thf)(2)Ln(Ge-9{Si(SiMe3)(3)}(3))(2) (Ln = Eu, Sm): the first coordination of metalloid germanium clusters to lanthanides
In: Chemical Communications (2021)
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Klöffel T., Kozlowska M., Popiel S., Meyer B., Rodziewicz P.:
Adsorption of sulfur mustard on clean and water-saturated ZnO(101¯0): Structural diversity from first-principles calculations
In: Journal of Hazardous Materials 402 (2021), Article No.: 123503
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Klöffel T., Mathias G., Meyer B.:
Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers
In: Computer Physics Communications 260 (2021), Article No.: 107745
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Knöppel J., Kormanyos A., Mayerhöfer B., Hofer A., Bierling M., Bachmann J., Thiele S., Cherevko S.:
Photocorrosion of WO3 Photoanodes in Different Electrolytes
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Utilizing the unique charge extraction properties of antimony tin oxide nanoparticles for efficient and stable organic photovoltaics
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Electrocatalytic Hydrogen Evolution by Cobalt Complexes with a Redox Non-Innocent Polypyridine Ligand
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Molecular Solar Thermal Batteries through Combination of Magnetic Nanoparticle Catalysts and Tailored Norbornadiene Photoswitches
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Non-Covalent Postfunctionalization of Dye Layers on TiO2 - A Tool for Enhancing Injection in Dye-Sensitized Solar Cells
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Energy Efficient Ultrahigh Flux Separation of Oily Pollutants from Water with Superhydrophilic Nanoscale Metal-Organic Framework Architectures
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An Electrically Conducting Three-Dimensional Iron-Catecholate Porous Framework
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Achieving an Order of Magnitude Speedup in Hybrid-Functional- And Plane-Wave-Based Ab Initio Molecular Dynamics: Applications to Proton-Transfer Reactions in Enzymes and in Solution
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Chromoselective Synthesis of Sulfonyl Chlorides and Sulfonamides with Potassium Poly(heptazine imide) Photocatalyst
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Expanding the Chemical Space of Tetracyanobuta-1,3-diene (TCBD) through a Cyano-Diels-Alder Reaction: Synthesis, Structure, and Physicochemical Properties of an Anthryl-fused-TCBD Derivative
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Disclosure of Ground-State Zimmerman-Möbius Aromaticity in the Radical Anion of [6]Helicene and Evidence for 4π Periodic Aromatic Ring Currents in a Molecular “Metallic” Möbius Strip
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The Cascade Reactions of Indigo with Propargyl Substrates for Heterocyclic and Photophysical Diversity
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A Chiral Molecular Cage Comprising Diethynylallenes and N-Heterotriangulenes for Enantioselective Recognition
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