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  • 1. Afshar, Majid Ghahraman
    et al.
    Crespo, Gaston A.
    Bakker, Eric
    Thin-Layer Chemical Modulations by a Combined Selective Proton Pump and pH Probe for Direct Alkalinity Detection2015In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 54, no 28, p. 8110-8113Article in journal (Refereed)
  • 2.
    Agarwala, Hemlata
    et al.
    Department of Chemistry - Ångström Laboratories, Uppsala University Box 523, 75120, Uppsala, Sweden; Present address: Technical University of Munich (TUM), Campus Straubing for Biotechnology and Sustainability, Uferstraße 53, 94315, Straubing, Germany.
    Chen, Xiaoyu
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Theoretical Chemistry and Biology.
    Lyonnet, Julien R.
    Department of Chemistry - Ångström Laboratories, Uppsala University Box 523, 75120, Uppsala, Sweden; Institute of Chemical Research of Catalonia (ICIQ), The Barcelona Institute of Science and Technology, Tarragona, 43007, Spain.
    Johnson, Ben A.
    Department of Chemistry - Ångström Laboratories, Uppsala University Box 523, 75120, Uppsala, Sweden; Present address: Technical University of Munich (TUM), Campus Straubing for Biotechnology and Sustainability, Uferstraße 53, 94315, Straubing, Germany.
    Ahlquist, Mårten S. G.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Theoretical Chemistry and Biology.
    Ott, Sascha
    Department of Chemistry - Ångström Laboratories, Uppsala University Box 523, 75120, Uppsala, Sweden.
    Alternating Metal-Ligand Coordination Improves Electrocatalytic CO2 Reduction by a Mononuclear Ru Catalyst**2023In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 62, no 17, article id e202218728Article in journal (Refereed)
    Abstract [en]

    Molecular electrocatalysts for CO2-to-CO conversion often operate at large overpotentials, due to the large barrier for C−O bond cleavage. Illustrated with ruthenium polypyridyl catalysts, we herein propose a mechanistic route that involves one metal center that acts as both Lewis base and Lewis acid at different stages of the catalytic cycle, by density functional theory in corroboration with experimental FTIR. The nucleophilic character of the Ru center manifests itself in the initial attack on CO2 to form [Ru-CO2]0, while its electrophilic character allows for the formation of a 5-membered metallacyclic intermediate, [Ru-CO2CO2]0,c, by addition of a second CO2 molecule and intramolecular cyclization. The calculated activation barrier for C−O bond cleavage via the metallacycle is decreased by 34.9 kcal mol−1 as compared to the non-cyclic adduct in the two electron reduced state of complex 1. Such metallacyclic intermediates in electrocatalytic CO2 reduction offer a new design feature that can be implemented consciously in future catalyst designs.

  • 3.
    Ahlquist, Mårten
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Norrby, Per-Ola
    Department of Chemistry, University of Gothenburg, Sweden.
    Dispersion and Back-Donation Gives Tetracoordinate [Pd(PPh3)4]2011In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 50, no 49, p. 11794-11797Article in journal (Refereed)
    Abstract [en]

    18e R.I.P. The apparent compliance of [Pd(PPh3)4] ("tetrakis") with the 18-electron rule is not due to an electronic preference on the central metal. Pd is valence-saturated already by two ligands. Further ligand addition gives a minor energy gain, and is only possible due to strong back-bonding. Dispersion corrections are needed for properly describing the interactions between the ligands.

  • 4.
    Antoni, Per
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Hed, Yvonne
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Nordberg, Axel
    KTH, School of Technology and Health (STH), Neuronic Engineering.
    Nyström, Daniel
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    von Holst, Hans
    KTH, School of Technology and Health (STH), Neuronic Engineering.
    Hult, Anders
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Malkoch, Michael
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Bifunctional Dendrimers: From Robust Synthesis and Accelerated One-Pot Postfunctionalization Strategy to Potential Applications2009In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 48, no 12, p. 2126-2130Article in journal (Refereed)
  • 5. Baber, Ashleigh E.
    et al.
    Yang, Xiaofang
    Kim, Hyun You
    Mudiyanselage, Kumudu
    Soldemo, Markus
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Material Physics, MF.
    Weissenrieder, Jonas
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Material Physics, MF.
    Senanayake, Sanjaya D.
    Al-Mahboob, Abdullah
    Sadowski, Jerzy T.
    Evans, Jaime
    Rodriguez, Jose A.
    Liu, Ping
    Hoffmann, Friedrich M.
    Chen, Jingguang G.
    Stacchiola, Dario J.
    Stabilization of Catalytically Active Cu plus Surface Sites on TitaniumCopper Mixed-Oxide Films**2014In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 53, no 21, p. 5336-5340Article in journal (Refereed)
    Abstract [en]

    The oxidation of CO is the archetypal heterogeneous catalytic reaction and plays a central role in the advancement of fundamental studies, the control of automobile emissions, and industrial oxidation reactions. Copper-based catalysts were the first catalysts that were reported to enable the oxidation of CO at room temperature, but a lack of stability at the elevated reaction temperatures that are used in automobile catalytic converters, in particular the loss of the most reactive Cu+ cations, leads to their deactivation. Using a combined experimental and theoretical approach, it is shown how the incorporation of titanium cations in a Cu2O film leads to the formation of a stable mixed-metal oxide with a Cu+ terminated surface that is highly active for CO oxidation.

  • 6. Bassan, A.
    et al.
    Zou, W. B.
    Reyes, E.
    Himo, Fahmi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry.
    Cordova, A.
    The origin of stereoselectivity in primary amino acid catalyzed intermolecular Aldol reactions2005In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 44, no 43, p. 7028-7032Article in journal (Refereed)
  • 7. Benninger, Richard K. P.
    et al.
    Hofmann, Oliver
    Önfelt, Björn
    Munro, Ian
    Dunsby, Chris
    Davis, Daniel M.
    Neil, Mark A. A.
    French, Paul M. W.
    de Mello, Andrew J.
    Fluorescence-lifetime imaging of DNA-dye interactions within continuous-flow microfluidic systems2007In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 46, no 13, p. 2228-2231Article in journal (Refereed)
  • 8.
    Berglund, Per
    KTH, School of Biotechnology (BIO), Biochemistry.
    Asymmetric Organic Synthesis with Enzymes: Edited by Vicente Gotor, Ignacio Alfonso and Eduardo Garcia-Urdiales2008In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 47, no 35, p. 6514-6515Article, book review (Other academic)
  • 9.
    Bernhardt, Peter
    et al.
    KTH, School of Biotechnology (BIO), Biochemistry.
    Hult, Karl
    KTH, School of Biotechnology (BIO), Biochemistry.
    Kazlauskas, R. J.
    Molecular basis of perhydrolase activity in serine hydrolases2005In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 44, no 18, p. 2742-2746Article in journal (Refereed)
    Abstract [en]

    (Chemical Equation Presented) Changing substrates: A mutation that forms a cis-proline-peptide bond in a loop structure close to the active site of an aryl esterase from Pseudomonas fluorescens converts the enzyme into a perhydrolase (see picture). The switch in activity is explained by a new hydrogen bond formed between a backbone carbonyl oxygen atom and the peroxy deacylation intermediate.

  • 10. Björling, T.
    et al.
    Noréus, D.
    Jansson, K.
    Andersson, Magnus
    KTH, School of Information and Communication Technology (ICT), Microelectronics and Information Technology, IMIT.
    Leonova, E.
    Edén, M.
    Hålenius, U.
    Häussermann, U.
    SrAlSiH: A polyanionic semiconductor hydride2005In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 44, no 44, p. 7269-7273Article in journal (Refereed)
    Abstract [en]

    (Chemical Equation Presented) Stable and semiconducting: Polyanionic hydrides represent a new class of main-group-metal hydrides with unforeseen hydrogen-coordination environments. The hydrogen atom in SrAlSiH is attached exclusively to Al and forms part of a layered [AlHSi]2- polyanion (see figure). This material is the first narrow bandgap semiconductor hydride and combines the high thermal stability of saline hydrides with the air and moisture stability of interstitial transition-metal hydrides.

  • 11. Brandau, Sven
    et al.
    Landa, Aitor
    Franzen, Johan
    Marigo, Mauro
    Jorgensen, Karl Anker
    Organocatalytic conjugate addition of malonates to alpha,beta-unsaturated aldehydes: Asymmetric formal synthesis of (-)-paroxetine, chiral lactams, and lactones2006In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 45, no 26, p. 4305-4309Article in journal (Refereed)
  • 12.
    Caraballo, Rémi
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Dong, Hai
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Ribeiro, Joao P.
    Jimenez-Barbero, Jesus
    Ramström, Olof
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Direct STD NMR Identification of beta-Galactosidase Inhibitors from a Virtual Dynamic Hemithioacetal System2010In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 49, no 3, p. 589-593Article in journal (Refereed)
    Abstract [en]

     The formation of a dynamic hemithioacetal system and its application toward the discovery of ß-galactosidase inhibitors were successfully investigated. The designed dynamic system, which has a virtual character in neutral aqueous media, was subjected to a direct in situ identification of the best inhibitors by 1H STD NMR spectroscopy (ONPC : o-nitrophenyl-β-galactopyranoside).

  • 13.
    Cederholm, Linnea
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Wohlert, Jakob
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Biocomposites.
    Olsen, Peter
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Biocomposites.
    Hakkarainen, Minna
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Polymer Technology.
    Odelius, Karin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    “Like Recycles Like”: Selective Ring-Closing Depolymerization of Poly(L-Lactic Acid) to L-Lactide2022In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 61, no 33, article id e202204531Article in journal (Refereed)
    Abstract [en]

    Chemical recycling of poly(L-lactic acid) to the cyclic monomer L-lactide is hampered by low selectivity and by epimerization and elimination reactions, impeding its use on a large scale. The high number of side reactions originates from the high ceiling temperature (Tc) of L-lactide, which necessitates high temperatures or multistep reactions to achieve recycling to L-lactide. To circumvent this issue, we utilized the impact of solvent interactions on the monomer–polymer equilibrium to decrease the Tc of L-lactide. Analyzing the observed Tc in different solvents in relation to their Hildebrand solubility parameter revealed a “like recycles like” relationship. The decreased Tc, obtained by selecting solvents that interact strongly with the monomer (dimethyl formamide or the green solvent γ-valerolactone), allowed chemical recycling of high-molecular-weight poly(L-lactic acid) directly to L-lactide, within 1–4 h at 140 °C, with >95 % conversion and 98–99 % selectivity. Recycled L-lactide was isolated and repolymerized with high control over molecular weight and dispersity, closing the polymer loop. 

  • 14. Cheng, Ming
    et al.
    Yang, Xichuan
    Zhang, Fuguo
    Zhao, Jianghua
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Efficient Dye-Sensitized Solar Cells Based on Hydroquinone/Benzoquinone as a Bioinspired Redox Couple2012In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 51, no 39, p. 9896-9899Article in journal (Refereed)
    Abstract [en]

    A hybrid electrolyte involving tetramethylammonium (TMA) hydroquinone/benzoquinone redox couple is formulated. This electrolyte is more transparent than the traditional I -/I 3 - electrolyte and has negligible absorption in the visible region. Dye-sensitized solar cells using the hybrid electrolyte show higher light-to-electricity conversion efficiency. FTO=fluorine-doped tin oxide.

  • 15. Cho, I.
    et al.
    Prier, C. K.
    Jia, Z. -J
    Zhang, R. K.
    Görbe, Tamás
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Coating Technology. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Arnold, F. H.
    Enantioselective Aminohydroxylation of Styrenyl Olefins Catalyzed by an Engineered Hemoprotein2019In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 58, no 10, p. 3138-3142Article in journal (Refereed)
    Abstract [en]

    Chiral 1,2-amino alcohols are widely represented in biologically active compounds from neurotransmitters to antivirals. While many synthetic methods have been developed for accessing amino alcohols, the direct aminohydroxylation of alkenes to unprotected, enantioenriched amino alcohols remains a challenge. Using directed evolution, we have engineered a hemoprotein biocatalyst based on a thermostable cytochrome c that directly transforms alkenes to amino alcohols with high enantioselectivity (up to 2500 TTN and 90 % ee) under anaerobic conditions with O-pivaloylhydroxylamine as an aminating reagent. The reaction is proposed to proceed via a reactive iron-nitrogen species generated in the enzyme active site, enabling tuning of the catalyst's activity and selectivity by protein engineering.

  • 16.
    Chubarova, Elena V.
    et al.
    KTH, School of Engineering Sciences (SCI), Applied Physics, Biomedical and X-ray Physics. Jacobs Univ, Sch Sci & Engn, Germany.
    Dickman, M. H.
    Keita, B.
    Nadjo, L.
    Miserque, F.
    Mifsud, M.
    Arends, I. W. C. E.
    Kortz, U.
    Self-assembly of a heteropolyoxopalladate nanocube: [PdII 13AsV 8O34(OH)6] 8-2008In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 47, no 49, p. 9542-9546Article in journal (Refereed)
    Abstract [en]

    (Chemical Equation Presented) Not like the others: A molecular palladium oxide cluster was formed by self-assembly of palladium(II) and arsenic(V) using mild reaction conditions. The resulting heteropolypalladate [Pd II 13AsV 8O34(OH) 6]8- has a distorted cubic shape and edge lengths of about 1 nm. The thirteen PdII ions retain four-coordinate square-planar geometry, in marked contrast to all other known discrete polyoxometalates.

  • 17. Crespo, Gaston A.
    et al.
    Afshar, Majid Ghahraman
    Bakker, Eric
    Reversible Sensing of the Anticoagulant Heparin with Protamine Permselective Membranes2012In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 51, no 50, p. 12575-12578Article in journal (Refereed)
  • 18.
    Dinér, Peter
    et al.
    Danish National Research Foundation, Aarhus University.
    Nielsen, Martin
    Marigo, Mauro
    Jørgensen, Karl Anker
    Enantioselective organocatalytic conjugate addition of N heterocycles to alpha,beta-unsaturated aldehydes2007In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 46, no 12, p. 1983-1987Article in journal (Refereed)
  • 19.
    Duan, Sai
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Tian, Guangjun
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology. University of Science and Technology of China, China.
    Visualization of Vibrational Modes in Real Space by Tip-Enhanced Non-Resonant Raman Spectroscopy2016In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 55, no 3, p. 1041-1045Article in journal (Refereed)
    Abstract [en]

    We present a general theory to model the spatially resolved non-resonant Raman images of molecules. It is predicted that the vibrational motions of different Raman modes can be fully visualized in real space by tip-enhanced non-resonant Raman scattering. As an example, the non-resonant Raman images of water clusters were simulated by combining the new theory and first-principles calculations. Each individual normal mode gives rise its own distinct Raman image, which resembles the expected vibrational motions of the atoms very well. The characteristics of intermolecular vibrations in supermolecules could also be identified. The effects of the spatial distribution of the plasmon as well as nonlinear scattering processes were also addressed. Our study not only suggests a feasible approach to spatially visualize vibrational modes, but also provides new insights in the field of nonlinear plasmonic spectroscopy.

  • 20. Díaz-Álvarez, Alba E.
    et al.
    Mesas Sanchez, Laura
    Dinér, Peter
    Uppsala University.
    Non-Enzymatic Dynamic Kinetic Resolution of Secondary Aryl Alcohols: Planar Chiral Ferrocene and Ruthenium Catalysts in Cooperation2013In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 52502-504, no 2, p. 502-504Article in journal (Refereed)
  • 21. Díaz-Álvarez, Alba E.
    et al.
    Mesas-Sánchez, Laura
    Dinér, Peter
    Uppsala University.
    Nichtenzymatische dynamische kinetische Racematspaltung sekundärer Arylalkohole: planar-chirale Ferrocen- und Rutheniumkatalysatoren im Zusammenspiel2013In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 125, no 2, p. 522-524Article in journal (Refereed)
  • 22.
    Fan, Ke
    et al.
    KTH, School of Chemical Science and Engineering (CHE).
    Ji, Yongfei
    Zou, Haiyuan
    Zhang, Jinfeng
    Zhu, Bicheng
    Chen, Hong
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Daniel, Quentin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Luo, Yi
    Yu, Jiaguo
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Hollow Iron-Vanadium Composite Spheres: A Highly Efficient Iron-Based Water Oxidation Electrocatalyst without the Need for Nickel or Cobalt2017In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 56, no 12, p. 3289-3293Article in journal (Refereed)
    Abstract [en]

    Noble-metal-free bimetal-based electrocatalysts have shown high efficiency for water oxidation. Ni and/or Co in these electrocatalysts are essential to provide a conductive, high-surface area and a chemically stable host. However, the necessity of Ni or Co limits the scope of low-cost electrocatalysts. Herein, we report a hierarchical hollow FeV composite, which is Ni- and Co-free and highly efficient for electrocatalytic water oxidation with low overpotential 390 mV (10 mA cm(-2) catalytic current density), low Tafel slope of 36.7 mV dec(-1), and a considerable durability. This work provides a novel and efficient catalyst, and greatly expands the scope of low-cost Fe-based electrocatalysts for water splitting without need of Ni or Co.

  • 23.
    Fan, Zhaozhong
    et al.
    State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials Oriented Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian, 116024, P. R. China.
    Luo, Ruichun
    School of Physical Sciences and CAS Key Laboratory of Vacuum Physics, University of Chinese Academy of Sciences, Beijing, 100049, P. R. China; CAS Center for Excellence in Topological Quantum Computation, University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
    Zhang, Yanxue
    Laboratory of Materials Modification by Laser, Ion and Electron Beams, Ministry of Education, Dalian University of Technology, Dalian, 116024, P. R. China.
    Zhang, Bo
    State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials Oriented Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian, 116024, P. R. China.
    Zhai, Panlong
    State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials Oriented Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian, 116024, P. R. China.
    Zhang, Yanting
    State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials Oriented Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian, 116024, P. R. China.
    Wang, Chen
    State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials Oriented Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian, 116024, P. R. China.
    Gao, Junfeng
    Laboratory of Materials Modification by Laser, Ion and Electron Beams, Ministry of Education, Dalian University of Technology, Dalian, 116024, P. R. China.
    Zhou, Wu
    School of Physical Sciences and CAS Key Laboratory of Vacuum Physics, University of Chinese Academy of Sciences, Beijing, 100049, P. R. China; CAS Center for Excellence in Topological Quantum Computation, University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
    Sun, Licheng
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry. Center of Artificial Photosynthesis for Solar Fuels, School of Science, Westlake University, Hangzhou, 310024, P. R. China.
    Hou, Jungang
    State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials Oriented Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian, 116024, P. R. China.
    Oxygen-Bridged Indium-Nickel Atomic Pair as Dual-Metal Active Sites Enabling Synergistic Electrocatalytic CO2 Reduction2023In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 62, no 7, article id e202216326Article in journal (Refereed)
    Abstract [en]

    Single-atom catalysts offer a promising pathway for electrochemical CO2 conversion. However, it is still a challenge to optimize the electrochemical performance of dual-atom catalysts. Here, an atomic indium-nickel dual-sites catalyst bridged by an axial oxygen atom (O-In-N6-Ni moiety) was anchored on nitrogenated carbon (InNi DS/NC). InNi DS/NC exhibits superior CO selectivity with Faradaic efficiency higher than 90 % over a wide potential range from −0.5 to −0.8 V versus reversible hydrogen electrode (vs. RHE). Moreover, an industrial CO partial current density up to 317.2 mA cm−2 is achieved at −1.0 V vs. RHE in a flow cell. In situ ATR-SEIRAS combined with theory calculations reveal that the synergistic effect of In-Ni dual-sites and O atom bridge not only reduces the reaction barrier for the formation of *COOH, but also retards the undesired hydrogen evolution reaction. This work provides a feasible strategy to construct dual-site catalysts towards energy conversion.

  • 24.
    Fleming, Cassandra L.
    et al.
    Chalmers Univ Technol, Dept Chem & Chem Engn Phys Chem, S-41296 Gothenburg, Sweden.;Univ Gothenburg, Dept Chem & Mol Biol, S-41296 Gothenburg, Sweden..
    Sandoz, Patrick A.
    KTH, School of Engineering Sciences (SCI), Applied Physics, Biophysics. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Inghardt, Tord
    AstraZeneca, Med Chem, Res & Early Dev Cardiovasc Renal & Metab, BioPharmaceut R&D, Gothenburg, Sweden..
    Önfelt, Björn
    KTH, Centres, Science for Life Laboratory, SciLifeLab. KTH, School of Engineering Sciences (SCI), Applied Physics, Biomedical and X-ray Physics.
    Grotli, Morten
    Univ Gothenburg, Dept Chem & Mol Biol, S-41296 Gothenburg, Sweden..
    Andreasson, Joakim
    Chalmers Univ Technol, Dept Chem & Chem Engn Phys Chem, S-41296 Gothenburg, Sweden..
    A Fluorescent Kinase Inhibitor that Exhibits Diagnostic Changes in Emission upon Binding2019In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773Article in journal (Refereed)
    Abstract [en]

    The development of a fluorescent LCK inhibitor that exhibits favourable solvatochromic properties upon binding the kinase is described. Fluorescent properties were realised through the inclusion of a prodan-derived fluorophore into the pharmacophore of an ATP-competitive kinase inhibitor. Fluorescence titration experiments demonstrate the solvatochromic properties of the inhibitor, in which dramatic increase in emission intensity and hypsochromic shift in emission maxima are clearly observed upon binding LCK. Microscopy experiments in cellular contexts together with flow cytometry show that the fluorescence intensity of the inhibitor correlates with the LCK concentration. Furthermore, multiphoton microscopy experiments demonstrate both the rapid cellular uptake of the inhibitor and that the two-photon cross section of the inhibitor is amenable for excitation at 700 nm.

  • 25.
    Franzen, Johan
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Asymmetric Alkaloid Synthesis: A One-Pot Organocatalytic Reaction to Quinolizidine Derivatives2009In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 48, no 4, p. 787-791Article in journal (Refereed)
  • 26.
    Franzén, Johan
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Asymmetric Domino Reactions2013In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 52, no 47, p. 12222-12222Article, book review (Other academic)
  • 27. Fu, Y.
    et al.
    Kang, Zhengzhong
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology.
    Cao, W.
    Yin, J.
    Tu, Yaoquan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology.
    Li, J.
    Guan, H.
    Wang, Y.
    Wang, Q.
    Kong, X.
    Defect-Assisted Loading and Docking Conformations of Pharmaceuticals in Metal–Organic Frameworks2021In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 60, no 14, p. 7719-7727Article in journal (Refereed)
    Abstract [en]

    Understanding of drug–carrier interactions is essential for the design and application of metal–organic framework (MOF)-based drug-delivery systems, and such drug–carrier interactions can be fundamentally different for MOFs with or without defects. Herein, we reveal that the defects in MOFs play a key role in the loading of many pharmaceuticals with phosphate or phosphonate groups. The host–guest interaction is dominated by the Coulombic attraction between phosphate/phosphonate groups and defect sites, and it strongly enhances the loading capacity. For similar molecules without a phosphate/phosphonate group or for MOFs without defects, the loading capacity is greatly reduced. We employed solid-state NMR spectroscopy and molecular simulations to elucidate the drug–carrier interaction mechanisms. Through a synergistic combination of experimental and theoretical analyses, the docking conformations of pharmaceuticals at the defects were revealed.

  • 28.
    Fuoco, Tiziana
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Polymer Technology.
    Degradation in Order: Simple and Versatile One-Pot Combination of Two Macromolecular Concepts to Encode Diverse and Spatially Regulated Degradability Functions2021In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 60, no 28, p. 15482-15489Article in journal (Refereed)
    Abstract [en]

    The clever one-pot combination of two macromolecular concepts, ring-opening polymerization (ROP) and step-growth polymerization (SGP), is demonstrated to be a simple, yet powerful tool to design a library of sequence-controlled polymers with diverse and spatially regulated degradability functions. ROP and SGP occur sequentially at room temperature when the organocatalytic conditions are switched from basic to acidic, and each allows the encoding of specific degradable bonds. ROP controls the sequence length and position of the degradability functions, while SGP between the complementary vinyl ether and hydroxyl chain-ends enables the formation of acetal bonds and high-molar-mass copolymers. The result is the rational combination of cleavable bonds prone to either bulk or surface erosion within the same macromolecule. The strategy is versatile and offers higher chemical diversity and level of control over the primary structure than current aliphatic polyesters or polycarbonates, while being simple, effective, and atom-economical and having potential for scalability.

  • 29.
    Ganguli, Sagar
    et al.
    Department of Chemistry—Ångström, Uppsala University, 75120, Uppsala, Sweden.
    Zhao, Ziwen
    Department of Chemistry—Ångström, Uppsala University, 75120, Uppsala, Sweden.
    Parlak, Onur
    KTH, Centres, Center for the Advancement of Integrated Medical and Engineering Sciences, AIMES. Department of Medicine Solna, Center for Molecular Medicine, Karolinska Institute, 17176, Stockholm, Sweden.
    Hattori, Yocefu
    Department of Chemistry—Ångström, Uppsala University, 75120, Uppsala, Sweden.
    Jacinto, S.
    Department of Chemistry—Ångström, Uppsala University, 75120, Uppsala, Sweden; Institute of Physical Chemistry, Polish Academy of Sciences, 01224, Warsaw, Poland.
    Sekretareva, Alina
    Department of Chemistry—Ångström, Uppsala University, 75120, Uppsala, Sweden.
    Nano-Impact Single-Entity Electrochemistry Enables Plasmon-Enhanced Electrocatalysis**2023In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 62, no 25, article id e202302394Article in journal (Refereed)
    Abstract [en]

    Plasmon-enhanced electrocatalysis (PEEC), based on a combination of localized surface plasmon resonance excitation and an electrochemical bias applied to a plasmonic material, can result in improved electrical-to-chemical energy conversion compared to conventional electrocatalysis. Here, we demonstrate the advantages of nano-impact single-entity electrochemistry (SEE) for investigating the intrinsic activity of plasmonic catalysts at the single-particle level using glucose electrooxidation and oxygen reduction on gold nanoparticles as model reactions. We show that in conventional ensemble measurements, plasmonic effects have minimal impact on photocurrents. We suggest that this is due to the continuous equilibration of the Fermi level (EF) of the deposited gold nanoparticles with the EF of the working electrode, leading to fast neutralization of hot carriers by the measuring circuit. The photocurrents detected in the ensemble measurements are primarily caused by photo-induced heating of the supporting electrode material. In SEE, the EF of suspended gold nanoparticles is unaffected by the working electrode potential. As a result, plasmonic effects are the dominant source of photocurrents under SEE experimental conditions.

  • 30. Garcia Gallego, Sandra
    et al.
    Hult, Daniel
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Olsson, Johan V.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Malkoch, Michael
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Fluoride-Promoted Esterification with Imidazolide-Activated Compounds: A Modular and Sustainable Approach to Dendrimers2015In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 54, no 8, p. 2416-2419Article in journal (Refereed)
    Abstract [en]

    Based on the growing demand for facile and sustainable synthetic methods to structurally perfect polymers, we herein describe a significant improvement of esterification reactions capitalizing on 1,1-carbonyldiimidazole (CDI). Cesium fluoride was shown to be an essential catalyst for these reactions to reach completion. This approach was successfully applied to the synthesis of structurally flawless and highly functional polyester dendrimers employing traditional and accelerated growth strategies. A sixth generation bis-MPA dendrimer with a molecular weight of 22.080Da and 192 peripheral hydroxy groups was isolated in less than one day of total reaction time. Large quantities of dendrimerswere obtained in high yields (>90%) using simple purification steps under sustainable conditions. The fluoride-promoted esterification (FPE) via imidazolide-activated compounds is wide in scope and constitutes a potentially new approach toward functional polymers and other materials.

  • 31.
    García-Gallego, Sandra
    et al.
    University of Cambridge, UK.
    Bernardes, Gonçalo J.L.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Carbon-monoxide-releasing molecules for the delivery of therapeutic co in vivo2014In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 53, no 37, p. 9712-9721Article in journal (Refereed)
    Abstract [en]

    The development of carbon-monoxide-releasing molecules (CORMs) as pharmaceutical agents represents an attractive and safer alternative to administration of gaseous CO. Most CORMs developed to date are transition-metal carbonyl complexes. Although such CORMs have showed promising results in the treatment of a number of animal models of disease, they still lack the necessary attributes for clinical development. Described in this Minireview are the methods used for CORM selection, to date, and how new insights into the reactivity of metal-carbonyl complexes in vivo, together with advances in methods for live-cell CO detection, are driving the design and synthesis of new CORMs, CORMs that will enable controlled CO release in vivo in a spatial and temporal manner without affecting oxygen transport by hemoglobin.

  • 32. Gibson, Elizabeth A.
    et al.
    Smeigh, Amanda L.
    Le Pleux, Loic
    Fortage, Jerome
    Boschloo, Gerrit
    Blart, Errol
    Pellegrin, Yann
    Odobel, Fabrice
    Hagfeldt, Anders
    KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Hammarstrom, Leif
    A p-Type NiO-Based Dye-Sensitized Solar Cell with an Open-Circuit Voltage of 0.35 V2009In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 48, no 24, p. 4402-4405Article in journal (Refereed)
  • 33.
    Gorlov, Mikhail
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Kloo, Lars A.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    One-step synthesis of a platinum(0)-gallium(II) chrysene complex2005In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 44, no 25, p. 3906-3909Article in journal (Refereed)
  • 34. Guliashvili, T.
    et al.
    El-Sayed, I.
    Fischer, Andreas
    KTH, Superseded Departments (pre-2005), Chemistry.
    Ottosson, H.
    The first isolable 2-silenolate2003In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 42, no 14, p. 1640-1642Article in journal (Refereed)
  • 35. Guo, Y.
    et al.
    He, Lanlan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Guo, J.
    Zhang, Fuguo
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Wang, L.
    Yang, Hao
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Xiao, C.
    Liu, Y.
    Chen, Y.
    Yao, Z.
    Sun, Licheng
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    A Phenanthrocarbazole-Based Dopant-Free Hole-Transport Polymer with Noncovalent Conformational Locking for Efficient Perovskite Solar Cells2022In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 61, no 6, article id e202114341Article in journal (Refereed)
    Abstract [en]

    Adequate hole mobility is the prerequisite for dopant-free polymeric hole-transport materials (HTMs). Constraining the configurational variation of polymer chains to afford a rigid and planar backbone can reduce unfavorable reorganization energy and improve hole mobility. Herein, a noncovalent conformational locking via S–O secondary interaction is exploited in a phenanthrocarbazole (PC) based polymeric HTM, PC6, to fix the molecular geometry and significantly reduce reorganization energy. Systematic studies on structurally explicit repeats to targeted polymers reveals that the broad and planar backbone of PC remarkably enhances π–π stacking of adjacent polymers, facilitating intermolecular charge transfer greatly. The inserted “Lewis soft” oxygen atoms passivate the trap sites efficiently at the perovskite/HTM interface and further suppress interfacial recombination. Consequently, a PSC employing PC6 as a dopant-free HTM offers an excellent power conversion efficiency of 22.2 % and significantly improved longevity, rendering it as one of the best PSCs based on dopant-free HTMs. 

  • 36.
    Hagberg, Daniel
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Hagfeldt, Anders
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry.
    Marinado, Tannia
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry.
    Karlsson, Karl Martin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    A Light Resistant Organic Sensitizer for Solar Cell Applications2009In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 48, p. 1576-1580Article in journal (Refereed)
    Abstract [en]

    (Figure Presented) Finely tuned: A stable dye-sensitized solar cell that contains a molecularly engineered organic dye has been prepared. The efficiency of the cell remains at 90% after 1000 h of light soaking at 60 °C. The remarkable stability of the cell is also reflected in the open-circuit voltage value (Voc), short-circuit photocurrent-density value (J sc), and the fill factor, which also show barely no decline (see picture).

  • 37.
    Hamedi, Mahiar
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Karabulut, Erdem
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Marais, Andrew
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Herland, Anna
    Nyström, Gustav
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Wågberg, Lars
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Nanocellulose Aerogels Functionalized by Rapid Layer-by-Layer Assembly for High Charge Storage and Beyond2013In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 52, no 46, p. 12038-12042Article in journal (Refereed)
    Abstract [en]

    Step by step: A robust and rapid method for the layer-by-layer assembly of polymers and nanoparticles on strong and elastic aerogels has been developed. Thin films of biomolecules, conducting polymers, and carbon nanotubes were assembled, which resulted in aerogels with a number of functions, including a high charge-storage capacity.

  • 38. Hansen, Anders L.
    et al.
    Ebran, Jean-Philippe
    Ahlquist, Mårten
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Norrby, Per-Ola
    Skrydstrup, Troels
    Heck coupling with nonactivated alkenyl tosylates and phosphates: Examples of effective 1,2-migrations of the alkenyl palladium(II) intermediates2006In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 45, no 20, p. 3349-3353Article in journal (Refereed)
  • 39. Haussermann, U.
    et al.
    Simak, S. I.
    Ahuja, R.
    Johansson, Börje
    A unified bonding picture for the metallic triel elements2000In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 39, no 7, p. 1246-+Article in journal (Refereed)
  • 40. He, C. J.
    et al.
    Wang, M.
    Zhang, X. F.
    Wang, Z.
    Chen, C. N.
    Liu, J. H.
    Akermark, B.
    Sun, Licheng C.
    An unusual cyclization in a bis(cysteinyl-S) diiron complex related to the active site of Fe-only hydrogenases2004In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 43, no 27, p. 3571-3574Article in journal (Refereed)
  • 41.
    Hirner, Sebastian
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Panknin, Olaf
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Edefuhr, Magnus
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Somfai, Peter
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Synthesis of aryl glycines by the alpha arylation of Weinreb amides2008In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 47, no 10, p. 1907-1909Article in journal (Refereed)
  • 42.
    Hsieh, Yves S. Y.
    et al.
    University of Sydney, Australia.
    Wijeyewickrema, Lakshmi C.
    Wilkinson, Brendan L.
    Pike, Robert N.
    Payne, Richard J.
    Total synthesis of homogeneous variants of hirudin P6: a post-translationally modified anti-thrombotic leech-derived protein2014In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 53, no 15, p. 3947-51Article in journal (Refereed)
    Abstract [en]

    Hirudin P6 is a leech-derived anti-thrombotic protein which possesses two post-translational modifications, O-glycosylation and tyrosine sulfation. In this study we report the ligation-based synthesis of a library of hirudin P6 proteins possessing homogeneous glycosylation and sulfation modifications. The nature of the modifications incorporated was shown to have a drastic effect on inhibition against both the fibrinogenolytic and amidolytic activities of thrombin and thus highlights a potential means for attenuating the biological activity of the protein.

  • 43.
    Ibrahem, Ismail
    et al.
    Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University.
    Rios, Ramon
    Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University.
    Vesely, Jan
    Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University.
    Hammar, Peter
    KTH, School of Biotechnology (BIO), Theoretical Chemistry.
    Eriksson, Lars
    Department of Structural Chemistry, Arrhenius Laboratory, Stockholm University.
    Himo, Fahmi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry.
    Córdova, Armando
    Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University.
    Enantioselective Organocatalytic Hydrophosphination of α,β-Unsaturated Aldehydes2007In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 46, no 24, p. 4507-4510Article in journal (Refereed)
    Abstract [en]

    Keeping it simple: Optically active phosphine derivatives can be obtained in high yields and in up to 99% ee by using simple chiral amines to catalyze the hydrophosphination of α,β-unsaturated aldehydes (see scheme, green sphere = chiral group). The synthetic utility of this highly chemo- and enantioselective transformation was exemplified by the one-pot asymmetric synthesis of β-phosphine oxide acids.

  • 44. Ji, F.
    et al.
    Klarbring, J.
    Wang, F.
    Ning, W.
    Wang, Linqin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Yin, C.
    Figueroa, J. S. M.
    Christensen, C. K.
    Etter, M.
    Ederth, T.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry. Dalian Univ Technol.
    Simak, S. I.
    Abrikosov, I. A.
    Gao, F.
    Lead-Free Halide Double Perovskite Cs2AgBiBr6 with Decreased Band Gap2020In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 59, no 35, p. 15191-15194Article in journal (Refereed)
    Abstract [en]

    Environmentally friendly halide double perovskites with improved stability are regarded as a promising alternative to lead halide perovskites. The benchmark double perovskite, Cs2AgBiBr6, shows attractive optical and electronic features, making it promising for high-efficiency optoelectronic devices. However, the large band gap limits its further applications, especially for photovoltaics. Herein, we develop a novel crystal-engineering strategy to significantly decrease the band gap by approximately 0.26 eV, reaching the smallest reported band gap of 1.72 eV for Cs2AgBiBr6 under ambient conditions. The band-gap narrowing is confirmed by both absorption and photoluminescence measurements. Our first-principles calculations indicate that enhanced Ag/Bi disorder has a large impact on the band structure and decreases the band gap, providing a possible explanation of the observed band-gap narrowing effect. This work provides new insights for achieving lead-free double perovskites with suitable band gaps for optoelectronic applications. 

  • 45. Jiang, Huijun
    et al.
    Hou, Zhonghuai
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Unraveling the Mechanism for the Sharp-Tip Enhanced Electrocatalytic Carbon Dioxide Reduction: The Kinetics Decide2017In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 56, no 49, p. 15617-15621Article in journal (Refereed)
    Abstract [en]

    The electrocatalytic reduction reaction of carbon dioxide can be significantly enhanced by the use of a sharp-tip electrode. However, the experimentally observed rate enhancement is many orders of magnitudes smaller than what would be expected from an energetic point of view. The kinetics of this tip-enhanced reaction are shown to play a decisive role, and a novel reaction-diffusion kinetic model is proposed. The experimentally observed sharp-tip enhanced reaction and the maximal producing rate of carbon monoxide under different electrode potentials are well-reproduced. Moreover, the optimal performance shows a strong dependence on the interaction between CO2 and the local electric field, on the adsorption rate of CO2, but not on the reaction barrier. Two new strategies to further enhance the reaction rate have also been proposed. The findings highlight the importance of kinetics in modeling electrocatalytic reactions.

  • 46. Jiang, Yi
    et al.
    Li, Fei
    Zhang, Biaobiao
    Li, Xiaona
    Wang, Xiaohong
    Huang, Fang
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Promoting the Activity of Catalysts for the Oxidation of Water with Bridged Dinuclear Ruthenium Complexes2013In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 52, no 12, p. 3398-3401Article in journal (Refereed)
    Abstract [en]

    Solar fuels: Dinuclear ruthenium catalysts prepared from two covalently bridged monomeric catalytic units show outstanding activities towards the oxidation of water with high turnover numbers up to 43 000 and turnover frequencies up to 40 s-1 (see picture). Direct comparison of the performance parameters indicates that the dimers are significantly more active as catalysts than the monomers.

  • 47. Jonasson, Klara J.
    et al.
    Polukeev, Alexey V.
    Marcos, Rocio
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Ahlquist, Mårten S. G.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Wendt, Ola F.
    Reversible -Hydrogen and -Alkyl Elimination in PC(sp(3))P Pincer Complexes of Iridium2015In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 54, no 32, p. 9372-9375Article in journal (Refereed)
    Abstract [en]

    Despite significant progress in recent years, the cleavage of unstrained C(sp(3))C(sp(3)) bonds remains challenging. A CC coupling and cleavage reaction in a PC(sp(3))P iridium pincer complex is mechanistically studied; the reaction proceeds via the formation of a carbene intermediate and can be described as a competition between -hydrogen and -alkyl elimination; the latter process was observed experimentally and is an unusual way of C(sp(3))C(sp(3)) bond scission, which has previously not been studied in detail. Mechanistic details that are based upon kinetic studies, activation parameters, and DFT calculations are also discussed. A full characterization of a CC agostic intermediate is presented.

  • 48.
    Jönsson, Håkan N.
    et al.
    KTH, School of Biotechnology (BIO), Nano Biotechnology.
    Andersson Svahn, Helene
    KTH, School of Biotechnology (BIO), Nano Biotechnology.
    Droplet microfluidics-A tool for single-cell analysis2012In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 51, no 49, p. 12176-12192Article, review/survey (Refereed)
    Abstract [en]

    Droplet microfluidics allows the isolation of single cells and reagents in monodisperse picoliter liquid capsules and manipulations at a throughput of thousands of droplets per second. These qualities allow many of the challenges in single-cell analysis to be overcome. Monodispersity enables quantitative control of solute concentrations, while encapsulation in droplets provides an isolated compartment for the single cell and its immediate environment. The high throughput allows the processing and analysis of the tens of thousands to millions of cells that must be analyzed to accurately describe a heterogeneous cell population so as to find rare cell types or access sufficient biological space to find hits in a directed evolution experiment. The low volumes of the droplets make very large screens economically viable. This Review gives an overview of the current state of single-cell analysis involving droplet microfluidics and offers examples where droplet microfluidics can further biological understanding. A one-off: Single-cell analysis is one of the most interesting applications for droplet microfluidics. Droplets provide robust compartments on the size scale of a single cell, and their ability to encapsulate and rapidly manipulate cells along with their immediate environment in monodisperse compartments allows the possibility of automation. This Review focuses on single-cell analyses and applications in drug screening and genetic and enzyme analysis.

  • 49.
    Jönsson, Håkan
    et al.
    KTH, School of Biotechnology (BIO), Nano Biotechnology.
    Samuels, Michael L.
    Brouzes, Eric R.
    Medkova, Martina
    Uhlén, Mathias
    KTH, School of Biotechnology (BIO), Proteomics.
    Link, Darren R.
    Andersson-Svahn, Helene
    KTH, School of Biotechnology (BIO), Nano Biotechnology.
    Detection and Analysis of Low-Abundance Cell-Surface Biomarkers Using Enzymatic Amplification in Microfluidic Droplets2009In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 48, no 14, p. 2518-2521Article in journal (Refereed)
    Abstract [en]

    Finding the few: Cell-surface proteins are useful disease biomarkers, but current high-throughput methods are limited to detecting cells expressing more than several hundred proteins. Enzymatic amplification in microfluidic droplets (see picture) is a high-throughput method for detection and analysis of cell-surface biomarkers expressed at very low levels on individual human cells. Droplet optical labels allow concurrent analysis of several samples.

  • 50. Kaiser, N. F. K.
    et al.
    Bremberg, U.
    Larhed, M.
    Moberg, Christina
    KTH, Superseded Departments (pre-2005), Chemistry.
    Hallberg, A.
    Fast, convenient, and efficient molybdenum-catalyzed asymmetric allylic alkylation under noninert conditions: An example of microwave-promoted fast chemistry2000In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 39, no 20, p. 3596-3598Article in journal (Refereed)
123 1 - 50 of 129
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