2020

Publikationer rss feed

2020
 

Access to Heteroleptic Fluorido-Cyanido Complexes with a Large Magnetic Anisotropy by Fluoride Abstraction

Liu, Jun-Liang ; Pedersen, Kasper Steen ; Greer, Samuel M ; Oyarzabal, Itziar ; Mondal, Abhishake ; Hill, Stephen ; Wilhelm, Fabrice ; Rogalev, Andrei ; Tressaud, Alain ; Durand, Etienne ; Long, Jeffrey R ; Clérac, Rodolphe
in: Angewandte Chemie International Edition, vol: 56, issue: 26, pages: 10306-10310

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/anie.201914934

 

Access to Heteroleptic Fluorido-Cyanido Complexes with a Large Magnetic Anisotropy by Fluoride Abstraction

Liu, Jun-Liang ; Pedersen, Kasper Steen ; Greer, Samuel M ; Oyarzabal, Itziar ; Mondal, Abhishake ; Hill, Stephen ; Wilhelm, Fabrice ; Rogalev, Andrei ; Tressaud, Alain ; Durand, Etienne ; Long, Jeffrey R ; Clérac, Rodolphe
in: Angewandte Chemie, vol: 132, issue: 26, pages: 10392-10396

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/ange.201914934

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Accurate Description of Photoionization Dynamical Parameters

Moitra, Torsha ; Ponzi, Aurora ; Koch, Henrik ; Coriani, Sonia ; Decleva, Piero
in: The Journal of Physical Chemistry Letters, vol: 11, issue: 13, pages: 5330-5337

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acs.jpclett.0c01337

 

A chiral porous organic polymer as a heterogeneous ligand for enantioselective Pd-catalyzed C(sp3)-H functionalization

Bennedsen, Niklas Rosendal ; Kramer, Søren ; Kegnæs, Søren
in: Catalysis Science and Technology, vol: 10, issue: 22, pages: 7697-7705

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/d0cy01326a

 

A computer-simulated mechanism of familial Alzheimer's disease: Mutations enhance thermal dynamics and favor looser substrate-binding to γ-secretase

Dehury, Budheswar ; Somavarupu, Arun K ; Kepp, Kasper Planeta
in: Journal of Structural Biology, vol: 212, issue: 3

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.jsb.2020.107648

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Advancing Therapeutic Protein Discovery and Development through Comprehensive Computational and Biophysical Characterization

Gentiluomo, Lorenzo ; Svilenov, Hristo L ; Augustijn, Dillen ; El Bialy, Inas ; Greco, Maria Laura ; Vitaliyivna Kulakova, Alina ; Indrakumar, Sowmya ; Mahapatra, Sujata ; Morales, Marcello Martinez ; Pohl, Christin ; Roche, Aisling ; Tosstorff, Andreas ; Curtis, Robin ; Derrick, Jeremy P ; Nørgaard, Allan ; Khan, Tarik A ; Peters, Günther H.J. ; Pluen, Alain ; Rinnan, Åsmund ; Streicher, Werner W ; van der Walle, Christopher F ; Uddin, Shahid ; Winter, Gerhard ; Roessner, Dierk ; Harris, Pernille ; Frieß, Wolfgang
in: Molecular Pharmaceutics, vol: 17, issue: 2, pages: 426-440

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acs.molpharmaceut.9b00852

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Advancing Tin Halide Perovskites: Strategies Toward ASnX3 Paradigm for Efficient and Durable Optoelectronics

Yan, Yajie ; Pullerits, Tõnu ; Zheng, Kaibo ; Liang, Ziqi
in: ACS Energy Letters, vol: 5, issue: 6, pages: 2052–2086

Type: Review (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acsenergylett.0c00577

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A fluoride-responsive genetic circuit enables in vivo biofluorination in engineered Pseudomonas putida

Calero, Patricia ; Volke, Daniel Christoph ; Lowe, Phillip T ; Gotfredsen, Charlotte Held ; O'Hagan, David ; Nikel, Pablo Ivan
in: Nature Communications, vol: 11, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1038/s41467-020-18813-x

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A Glycan Array‐Based Assay for the Identification and Characterization of Plant Glycosyltransferases

Ruprecht, Colin ; Bartetzko, Max P. ; Senf, Deborah ; Lakhina, Anna ; Smith, Peter J. ; Soto, Maria J. ; Oh, Hyunil ; Yang, Jeong-Yeh ; Chapla, Digantkumar ; Silva, Daniel Varon ; Clausen, Mads Hartvig ; Hahn, Michael G. ; Moremen, Kelley W. ; Urbanowicz, Breeanna R. ; Pfrengle, Fabian
in: Angewandte Chemie International Edition, vol: 59, issue: 30, pages: 12493–12498

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/anie.202003105

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A Glycan Array‐Based Assay for the Identification and Characterization of Plant Glycosyltransferases

Ruprecht, Colin ; Bartetzko, Max P. ; Senf, Deborah ; Lakhina, Anna ; Smith, Peter J. ; Soto, Maria J. ; Oh, Hyunil ; Yang, Jeong-Yeh ; Chapla, Digantkumar ; Silva, Daniel Varon ; Clausen, Mads Hartvig ; Hahn, Michael G. ; Moremen, Kelley W. ; Urbanowicz, Breeanna R. ; Pfrengle, Fabian
in: Angewandte Chemie, vol: 132, pages: 12593-1259

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/ange.202003105

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Albumin-neprilysin fusion protein

Kulakova, Alina ; Indrakumar, Sowmya ; Sønderby Tuelung, Pernille ; Mahapatra, Sujata ; Streicher, Werner W. ; Peters, Günther H.J. ; Harris, Pernille
in: Scientific Reports, vol: 10, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1038/s41598-020-67002-9

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Amino Acid Assisted One‐Pot Green Synthesis of N‐Doped 3D Graphene for Ultrasensitive Neurochemical Sensing

Zhang, Minwei ; Wanfeng, Wu ; Chen, Fei ; Zhang, Wenrui ; Halder, Arnab
in: ChemistrySelect, vol: 5, issue: 44, pages: 13951-13956

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/slct.202003569

 

Ammonia borane enabled upgrading of biomass derivatives at room temperature

Zhao, Wenfeng ; Meier, Sebastian ; Yang, Song ; Riisager, Anders
in: Green Chemistry, vol: 22, pages: 5972-5977

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/D0GC02372H

 

Analysis of polyphenolic metabolites from in vitro gastrointestinal digested soft fruit extracts identify malvidin-3-glucoside as an inhibitor of PTP1B

Barik, Sisir Kumar ; Dehury, Budheswar ; Russell, Wendy R ; Moar, Kim M ; Cruickshank, Morven ; Scobbie, Lorraine ; Hoggard, Nigel
in: Biochemical Pharmacology, vol: 178

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.bcp.2020.114109

 

A Nickel‐Bisdiamine Porous Organic Polymer as Heterogeneous Chiral Catalyst for Asymmetric Michael Addition to Aliphatic Nitroalkenes

Buendia, Mikkel Burggraaf ; Kegnæs, Søren ; Kramer, Søren
in: Advanced Synthesis and Catalysis, vol: 326, issue: 23, pages: 5506-5512

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/adsc.202000875

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A novel class of pigments in aspergillus

Petersen, Thomas Isbrandt ; Kroll-Møller, Phillip ; Larsen, Thomas Ostenfeld ; Ødum, Anders Sebastian Rosenkrans
Patent no.: WO2020094830, Date: 2019-11-08

Type: Patent

Status: Published     |    År: 2020

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An oxygen-reducing biocathode with "oxygen tanks"

Xiao, Xinxin ; Leech, Dónal ; Zhang, Jingdong
in: Chemical Communications, vol: 56, issue: 68, pages: 9767-9770

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/d0cc04031b

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Antibodies to synthetic citrullinated peptide epitope correlate with disease activity and flares in rheumatoid arthritis

Khatri, Sangita ; Hansen, Jonas ; Astakhova, Kira
in: PLOS ONE, vol: 15, issue: 4

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1371/journal.pone.0232010

 

Antimicrobial enzymatic biofuel cells

Xiao, Xinxin ; Ryan, Michael P ; Leech, Dónal ; Zhang, Jingdong ; Magner, Edmond
in: Chemical Communications, vol: 56, pages: 15589-15592

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/d0cc07472a

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A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework

Refn, Vanja E. ; Kubus, Mariusz ; Mossin, Susanne ; Larsen, René Wugt ; Pedersen, Kasper Steen
in: ACS Omega, vol: 5, issue: 7, pages: 3462-3466

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acsomega.9b03727

 

Assessing the Importance of V(IV) During NH3‐SCR Using Operando EPR Spectroscopy

Godiksen, Anita Lundager ; Funk, Marie H. ; Rasmussen, Søren Birk ; Mossin, Susanne
in: ChemCatChem, vol: 12, issue: 19, pages: 4893-4903

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/cctc.202000802

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A Synergic Activity of Urea/Butyl Imidazolium Ionic Liquid Supported on UiO-66-NH2 Metal–Organic Framework for Synthesis of Oximes

Askari, Saeed ; Jafarzadeh, Mohammad ; Christensen, David Benjamin ; Kegnæs, Søren
in: Catalysis Letters, vol: 150, pages: 3159–3173

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1007/s10562-020-03203-1

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Au-Pt core-shell (Au@Pt) nanocrystals (NCs) and plasmon-mediated energy funneling to the NC surface

Engelbrekt, Christian ; Law, Matt ; Fishman, Dmitry ; Apkarin, Vartkess A.
Presented at:
nanoGe Fall Meeting 2020

Type: Poster (Peer reviewed)

Status: Published     |    År: 2020

 

Auxiliary in vitro and in vivo biological evaluation of hydrogen peroxide sensitive prodrugs of methotrexate and aminopterin for the treatment of rheumatoid arthritis

Previtali, Viola ; Petrovic, Katarina ; Peiro Cadahía, Jorge ; Troelsen, Nikolaj Sten ; Clausen, Mads Hartvig
in: Bioorganic & Medicinal Chemistry, vol: 28, issue: 2

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.bmc.2019.115247

 

Azodyrecins A-C: Azoxides from a Soil-Derived Streptomyces Species

Wibowo, Mario ; Gotfredsen, Charlotte H. ; Sassetti, Elisa ; Melchiorsen, Jette ; Clausen, Mads Hartvig ; Gram, Lone ; Ding, Ling
in: Journal of Natural Products, vol: 83, issue: 12, pages: 3519-3525

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acs.jnatprod.0c00339

 

Bacterially Generated Nanocatalysts and Their Applications

Zheng, Zhiyong ; Xiao, Yong ; Zhao, Feng ; Ulstrup, Jens ; Zhang, Jingdong
part of: Novel Catalyst Materials for Bioelectrochemical Systems: Fundamentals and Applications, pages: 97-122, 2020

Type: Book chapter (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/bk-2020-1342.ch005

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Benchmarking Correlated Methods for Frequency-Dependent Polarizabilities: Aromatic Molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2), and SOPPA(CCSD) Methods

Jørgensen, Maria W ; Faber, Rasmus ; Ligabue, Andrea ; Sauer, Stephan P. A.
in: Journal of Chemical Theory and Computation, vol: 16, issue: 5, pages: 3006–3018

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acs.jctc.9b01300

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Biochemical evidence of both copper chelation and oxygenase activity at the histidine brace

Brander, Søren ; Horvath, Istvan ; Ipsen, Johan Ø ; Peciulyte, Ausra ; Olsson, Lisbeth ; Hernández Rollán, Cristina ; Nørholm, Morten ; Mossin, Susanne ; Leggio, Leila Lo ; Probst, Corinna ; Thiele, Dennis J ; Johansen, Katja S
in: Scientific Reports, vol: 10, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1038/s41598-020-73266-y

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Catalytic Cycle of Carbohydrate Dehydration by Lewis Acids: Structures and Rates from Synergism of Conventional and DNP NMR

Jensen, Pernille Rose ; Meier, Sebastian
in: Chemical Communications, vol: 56, pages: 6245-6248

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/D0CC01756F

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Characterization of native reversible self-association of a monoclonal antibody mediated by Fab-Fab interaction

Gentiluomo, Lorenzo ; Roessner, Dierk ; Streicher, Werner ; Mahapatra, Sujata ; Harris, Pernille ; Frieß, Wolfgang
in: Journal of Pharmaceutical Sciences, vol: 109, issue: 1, pages: 443-451

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.xphs.2019.09.021

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Chemical causes of metalnobleness

Kepp, Kasper Planeta
in: ChemPhysChem, vol: 21, issue: 5, pages: 360-369

Type: Review (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/cphc.202000013

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Chemical engineering of quasicrystal approximants in lanthanide-based coordination solids

Voigt, Laura ; Kubus, Mariusz ; Pedersen, Kasper Steen
in: Nature Communications, vol: 11, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1038/s41467-020-18328-5

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Chitosan/Alginate Dialdehyde Multilayer Films with Modulated pH-Responsiveness and Swelling

Huang, Junhao ; Moghaddam, Saeed Zajforoushan ; Thormann, Esben
in: Macromolecular Chemistry and Physics, vol: 221, issue: 8

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/macp.201900499

 

Coercive Fields Above 6 T in Two Cobalt(II)-Radical Chain Compounds

Liu, Xiaoqing ; Feng, Xiaowen ; Meihaus, Katie R. ; Meng, Xixi ; Zhang, Yuan ; Li, Liang ; Liu, Jun-Liang ; Pedersen, Kasper Steen ; Keller, Lukas ; Shi, Wei ; Zhang, Yi-Quan ; Cheng, Peng ; Long, Jeffrey R.
in: Angewandte Chemie International Edition, vol: 59, pages: 2-11

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/anie.202002673

 

Coercive Fields Above 6 T in Two Cobalt(II)-Radical Chain Compounds

Liu, Xiaoqing ; Feng, Xiaowen ; Meihaus, Katie R. ; Meng, Xixi ; Zhang, Yuan ; Li, Liang ; Liu, Jun-Liang ; Pedersen, Kasper Steen ; Keller, Lukas ; Shi, Wei ; Zhang, Yi-Quan ; Cheng, Peng ; Long, Jeffrey R.
in: Angewandte Chemie, vol: 132, pages: 2-11

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/ange.202002673

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Common mechanism of thermostability in small α- and β-proteins studied by molecular dynamics

Jana, Kalyanashis ; Mehra, Rukmankesh ; Dehury, Budheswar ; Blundell, Tom L. ; Kepp, Kasper Planeta
in: Proteins: Structure, Function, and Bioinformatics, vol: 88, issue: 9, pages: 1233-1250

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/prot.25897

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Computational Biotransformation Profile of Emerging Phenolic Pollutants by Cytochromes P450: Phenol Coupling Mechanism

Guo, Fangjie ; Chai, Lihong ; Zhang, Shubin ; Yu, Haiying ; Liu, Weiping ; Kepp, Kasper Planeta ; Ji, Li
in: Environmental Science and Technology, vol: 54, issue: 5, pages: 2902-2912

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acs.est.9b06897

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Computer-aided synthesis of dapsone-phytochemical conjugates against dapsone-resistant Mycobacterium leprae

Swain, Shasank S. ; Paidesetty, Sudhir K. ; Dehury, Budheswar ; Das, Madhusmita ; Vedithi, Sundeep C. ; Padhy, Rabindra N.
in: Scientific Reports, vol: 10, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1038/s41598-020-63913-9

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Concentrated protein solutions investigated using acoustic levitation and small-angle X-ray scattering

Sønderby, Pernille ; Söderberg, Christopher ; Frankær, Christian Grundahl ; Peters, Günther H.J. ; Bukrinski, Jens T ; Labrador, Ana ; Plivelic, Tomás S ; Harris, Pernille
in: Journal of Synchrotron Radiation, vol: 27, issue: 2, pages: 396-404

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1107/s1600577519016977

 

Continuous gas-phase hydroformylation of but-1-ene in a membrane reactor by supported liquid-phase (SLP) catalysis

Logemann, Morten ; Marinkovic, Jakob Maximilian ; Schoerner, Markus ; Garcia-Suarez, Eduardo Jose ; Hecht, Corinna ; Franke, Robert ; Wessling, Matthias ; Riisager, Anders ; Fehrmann, Rasmus ; Haumann, Marco
in: Green Chemistry, vol: 22, issue: 17, pages: 5691-5700

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/d0gc01483d

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Core-valence-separated coupled-cluster-singles-and-doubles complex-polarization-propagator approach to X-ray spectroscopies

Faber, Rasmus ; Coriani, Sonia
in: Physical Chemistry Chemical Physics, vol: 22, issue: 5, pages: 2642-2647

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/c9cp03696b

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Correction: Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states

Vidal, Marta Lopez ; Krylov, Anna I ; Coriani, Sonia
in: Physical Chemistry Chemical Physics, vol: 22, issue: 6, pages: 3744-3747

Type: Comment/debate (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/d0cp90012e

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Cover Feature: Chemical Causes of Metal Nobleness (ChemPhysChem 5/2020)

Kepp, Kasper Planeta
in: ChemPhysChem, vol: 21, issue: 5, pages: 357-357

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/cphc.202000091

 

Cryo-temperature effects on membrane protein structure and dynamics

Mehra, Rukmankesh ; Dehury, Budheswar ; Kepp, Kasper Planeta
in: Physical Chemistry Chemical Physics, vol: 22, issue: 10, pages: 5427-5438

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/c9cp06723j

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CsH2PO4 as Electrolyte for the Formation of CH4 by Electrochemical Reduction of CO2

Christensen, Erik ; Petrushina, Irina ; Nikiforov, Aleksey Valerievich ; Berg, Rolf W. ; Bjerrum, Niels J.
in: Journal of the Electrochemical Society, vol: 167, issue: 4

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1149/1945-7111/ab75fa

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Cysteine Self-Assembly on Au(100) Studied by In Situ STM, Voltammetry and DFT

Engelbrekt, Christian ; Nazmutdinov, Renat R. ; Zinkicheva, Tamara T. ; Glukhov, Dmitrii V. ; Yan, Jiawei ; Mao, Bingwei ; Ulstrup, Jens ; Zhang, Jingdong
Presented at:
71st Annual Meeting of the International Society of Electrochemistry

Type: Poster (Peer reviewed)

Status: Published     |    År: 2020

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Cysteine Self-Assembly on Au(100) Studied by In Situ STM, Voltammetry and DFT

Engelbrekt, Christian ; Nazmutdinov, Renat R. ; Zinkicheva, Tamara T. ; Glukhov, Dmitrii V. ; Yan, Jiawei ; Mao, Bingwei ; Ulstrup, Jens ; Zhang, Jingdong
Presented at:
Annual Meeting of the Danish Electrochemical Society 2020

Type: Poster (Peer reviewed)

Status: Published     |    År: 2020

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Dalton Project

Olsen, Jógvan Magnus Haugaard ; Reine, Simen ; Vahtras, Olav ; Kjellgren, Erik ; Reinholdt, Peter ; Hjorth Dundas, Karen Oda ; Li, Xin ; Cukras, Janusz ; Ringholm, Magnus ; Hedegård, Erik D ; Di Remigio, Roberto ; List, Nanna H ; Faber, Rasmus ; Cabral Tenorio, Bruno Nunes ; Bast, Radovan ; Pedersen, Thomas Bondo ; Rinkevicius, Zilvinas ; Sauer, Stephan P A ; Mikkelsen, Kurt V ; Kongsted, Jacob ; Coriani, Sonia ; Ruud, Kenneth ; Helgaker, Trygve ; Jensen, Hans Jørgen Aa ; Norman, Patrick
in: The Journal of Chemical Physics, vol: 152, issue: 21

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1063/1.5144298

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Defect State Assisted Z-scheme Charge Recombinationin Bi2O2CO3/Graphene Quantum DotComposites For Photocatalytic Oxidation of NO

Liu, Yang ; Zhou, Ying ; Yu, Shan ; Xie, Zhanghui ; Chen, Yi ; Zheng, Kaiwen ; Mossin, Susanne ; Lin, Weihua ; Meng, Jie ; Pullerits, Tonu ; Zheng, Kaibo
in: ACS Applied Nano Materials , vol: 3, issue: 1, pages: 772-781

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acsanm.9b02276

 

Dehydrogenation of bioethanol using Cu nanoparticles supported on N‐doped ordered mesoporous carbon

Pulikkal Thumbayil, Rouzana ; Christensen, David Benjamin ; Mielby, Jerrik Jørgen ; Kegnæs, Søren
in: ChemCatChem, vol: 12, issue: 22, pages: 5644-5655

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/cctc.202000883

 

Density, compressibility and phase equilibrium of high pressure-high temperature reservoir fluids up to 473 K and 140 MPa

Regueira Muñiz, Teresa ; Glykioti, Maria-Lito ; Kottaki, Nomiki ; Stenby, Erling Halfdan ; Yan, Wei
in: Journal of Supercritical Fluids, vol: 159

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.supflu.2020.104781

 

Deoxygenation of wheat straw fast pyrolysis vapors over Na-Al2O3 catalyst for production of bio-oil with low acidity

Eschenbacher, Andreas ; Saraeian, Alireza ; Jensen, Peter Arendt ; Shanks, Brent H. ; Li, Chengxin ; Duus, Jens Øllgaard ; Smitshuysen, Thomas Erik Lyck ; Damsgaard, Christian Danvad ; Hansen, Asger Baltzer ; Kling, Kirsten Inga ; Mentzel, Uffe Vie ; Henriksen, Ulrik Birk ; Ahrenfeldt, Jesper ; Jensen, Anker Degn
in: Chemical Engineering Journal, vol: 394

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.cej.2020.124878

 

Design of heterogeneous metal catalysts for organic synthesis

Bennedsen, Niklas Rosendal

Type: Ph.D. thesis

Status: Published     |    År: 2020

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Developing Inhibitors of the p47phox-p22phox Protein-Protein Interaction by Fragment-Based Drug Discovery

Solbak, Sara Marie Øie ; Zang, Jie ; Narayanan, Dilip ; Høj, Lars Jakobsen ; Bucciarelli, Saskia ; Softley, Charlotte ; Meier, Sebastian ; Langkilde, Annette Eva ; Gotfredsen, Charlotte Held ; Sattler, Michael ; Bach, Anders
in: Journal of Medicinal Chemistry, vol: 63, issue: 3, pages: 1156-1177

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acs.jmedchem.9b01492

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Development of a Novel Cell-Permeable Protein-Protein Interaction Inhibitor for the Polo-box Domain of Polo-like Kinase 1

Huggins, David J. ; Hardwick, Bryn S. ; Sharma, Pooja ; Emery, Amy ; Laraia, Luca ; Zhang, Fengzhi ; Narvaez, Ana J. ; Roberts-Thomson, Meredith ; Crooks, Alex T. ; Boyle, Robert G. ; Boyce, Richard ; Walker, David W. ; Mateu, Natalia ; McKenzie, Grahame J. ; Spring, David R. ; Venkitaraman, Ashok R.
in: ACS Omega, vol: 5, issue: 1, pages: 822-831

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acsomega.9b03626

 

Development of graphene-based enzymatic biofuel cells: A minireview

Tang, Jing ; Yan, Xiaomei ; Engelbrekt, Christian ; Ulstrup, Jens ; Magner, Edmond ; Xiao, Xinxin ; Zhang, Jingdong
in: Bioelectrochemistry, vol: 134

Type: Review (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.bioelechem.2020.107537

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Direct electrochemical enzyme electron transfer on electrodes modified by self-assembled molecular monolayers

Yan, Xiaomei ; Tang, Jing ; Tanner, David Ackland ; Ulstrup, Jens ; Xiao, Xinxin
in: Catalysts, vol: 10, issue: 12

Type: Review (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.3390/catal10121458

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Direct Observation of a Plasmon-Induced Hot Electron Flow in a Multimetallic Nanostructure

van Turnhout, Lars ; Hattori, Yocefu ; Meng, Jie ; Zheng, Kaibo ; Sá, Jacinto
in: Nano Letters, vol: 20, issue: 11, pages: 8220–8228

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acs.nanolett.0c03344

 

Dual Functions of O-Atoms in the g-C3N4/BO0.2N0.8 Interface

Cao, Yuehan ; Zhang, Ruiyang ; Zheng, Qian ; Cui, Wen ; Liu, Yang ; Zheng, Kaibo ; Dong, Fan ; Zhou, Ying
in: ACS applied materials & interfaces, vol: 12, issue: 30, pages: 34432-34440

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acsami.0c09216

 

Dual Nickel-/Palladium-Catalyzed Reductive Cross-Coupling Reactions between Two Phenol Derivatives

Xiong, Baojian ; Li, Yue ; Wei, Yin ; Kramer, Søren ; Lian, Zhong
in: Organic Letters, vol: 22, issue: 16, pages: 6334–6338

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acs.orglett.0c02165

 

Dynamics of Water Absorption in Polymer Skin Adhesives

Hansen, Daniel ; Eiler, Johannes ; Hansen, Kristoffer ; Thormann, Esben
in: Acs Applied Bio Materials, vol: 3, issue: 12, pages: 8698-8704

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acsabm.0c01089

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Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states

Vidal, Marta L. ; Krylov, Anna I. ; Coriani, Sonia
in: Physical Chemistry Chemical Physics, vol: 22, pages: 2693-2703

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/c9cp03695d

 

Effect of copper and phosphate on the biosynthesis of palladium nanoparticles by Shewanella oneidensis MR‐1

Zheng, Zhiyong ; Xiao, Yong ; Cao, Huili ; Tian, Xiaochun ; Wu, Ranran ; Zhang, Jingdong ; Ulstrup, Jens ; Zhao, Feng
in: ChemElectroChem, vol: 7, issue: 21, pages: 4460-4468

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/celc.202001151

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Effect of metal dispersion and support structure of Ni/silicalite-1 catalysts on non-thermal plasma (NTP) activated CO2 hydrogenation

Chen, Huanhao ; Goodarzi, Farnoosh ; Mu, Yibing ; Chansai, Sarayute ; Mielby, Jerrik Jørgen ; Mao, Boyang ; Sooknoi, Tawan ; Hardacre, Christopher ; Kegnæs, Søren ; Fan, Xiaolei
in: Applied Catalysis B: Environmental, vol: 272

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.apcatb.2020.119013

 

Effect of N2/H2 injection on CH4 hydrate decomposition

Zhong, Jinrong ; Sun, Yi Fei ; Xie, Yan ; Sun, Chang Yu ; Chen, Guang Jin ; Yan, Wei
in: Chemical Engineering Journal, vol: 396

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.cej.2020.125266

 

Effect of synthesis methods on photoluminescent properties for CsPbBr3 nanocrystals

Zhang, Fengying ; Chen, Junsheng ; Zhou, Ying ; He, Rongxing ; Zheng, Kaibo
in: Journal of Luminescence, vol: 220

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.jlumin.2019.117023

 

Efficient and selective catalytic hydrogenation of furanic aldehydes using well defined Ru and Ir pincer complexesElectronic supplementary information (ESI)

Padilla Paz, Rosa Maria ; Koranchalil, Sakhitha ; Nielsen, Martin
in: Green Chemistry, vol: 22, issue: 20, pages: 6767-6772

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/d0gc01543a

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Efficient Plasmon-Mediated Energy Funneling to the Surface of Au@Pt Core-Shell Nanocrystals

Engelbrekt, Christian ; Crampton, Kevin T. ; Fishman, Dmitry A. ; Law, Matt ; Apkarian, Vartkess Ara
in: ACS Nano, vol: 14, issue: 4, pages: 5061-5074

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acsnano.0c01653

 

Efficient water splitting electrolysis on a platinum-free tungsten carbide electrocatalyst in molten CsH2PO4 at 350–390 °C

Bretzler, P. ; Köhler, K. ; Nikiforov, Aleksey Valerievich ; Christensen, Erik ; Berg, Rolf W. ; Bjerrum, Niels J.
in: International Journal of Hydrogen Energy, vol: 45, issue: 41, pages: 21262-21272

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.ijhydene.2020.05.145

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EIS measurements on porous cell stacks with an La0.85Sr0.15CoxMn1-xO3 (x=0, 0.01, 0.03 and 0.05)-Ce0.9Gd0.1O1.95 backbone in an atmosphere containing NOx

Larsen Werchmeister, Rebecka Maria ; Hansen, Kent Kammer
in: International Journal of Electrochemical Science, vol: 15

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.20964/2020.04.45

 

Electrochemical intercalator binding to single- and double-strand DNA- and LNA-based molecules on Au(111)-electrode surfaces

Zeng, Dongdong ; Salvatore, Princia ; Karlsen, Kasper K. ; Zhang, Jingdong ; Wengel, Jesper ; Ulstrup, Jens
in: Journal of Electroanalytical Chemistry, vol: 865

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1016/j.jelechem.2020.114138

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Electronic Spillover from a Metallic Nanoparticle

Shermukhamedov, Shokirbek A ; Nazmutdinov, Renat R ; Zinkicheva, Tamara T ; Bronshtein, Michael D ; Zhang, Jingdong ; Mao, Bingwei ; Tian, Zhongqun ; Yan, Jiawei ; Wu, De-Yin ; Ulstrup, Jens
in: Journal of the American Chemical Society, vol: 142, issue: 24, pages: 10646–10658

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/jacs.9b09362

 

Electronic Structure and Trap States of Two-Dimensional Ruddlesden-Popper Perovskites with the Relaxed Goldschmidt Tolerance Factor

Liang, Mingli ; Lin, Weihua ; Lan, Zhenyun ; Meng, Jie ; Zhao, Qian ; Zou, Xianshao ; Castelli, Ivano Eligio ; Pullerits, Tonu ; Canton, Sophie E. ; Zheng, Kaibo
in: Acs Applied Electronic Materials, vol: 2, issue: 5, pages: 1402-1412

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acsaelm.0c00179

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Electron transfer mediated by iron carbonyl clusters enhance light-driven hydrogen evolution in water by quantum dots

Li, Chuanshuai ; Rahaman, Ahibur ; Lin, Weihua ; Mourad, Hassan ; Meng, Jie ; Honarfar, Alireza ; Abdellah, Mohamed ; Guo, Meiyuan ; Richmond, Michael G. ; Zheng, Kaibo ; Nordlander, Ebbe
in: ChemSusChem (Print), vol: 13, issue: 12, pages: 3252-3260

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/cssc.202000300

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Elucidating the ionic liquid distribution in monolithic SILP hydroformylation catalysts by magnetic resonance imaging

Marinkovic, Jakob Maximilian ; Benders, Stefan ; Garcia-Suarez, Eduardo José ; Weiß, Alexander ; Gundlach, Carsten ; Haumann, Marco ; Küppers, Markus ; Blümich, Bernhard ; Fehrmann, Rasmus ; Riisager, Anders
in: RSC Advances, vol: 10, issue: 31, pages: 18487-18495

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/c9ra09515b

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Elucidating the Molecular interaction of Zebrafish (Danio rerio) Peptidoglycan recognition protein 2 with Diaminopimelic acid and Lysine type Peptidoglycans using in-silico Approaches

Rout, Ajaya Kumar ; Paramanik, Sunanda ; Dehury, Budheswar ; Acharya, Varsha ; Swain, Himanshu Sekhar ; Pradhan, Sukanta Kumar ; Behera, Bhaskar ; Pati, Soumen Kumar ; Behera, Bijay Kumar ; Das, Basanta Kumar
in: Journal of Biomolecular Structure and Dynamics, vol: 38, issue: 12, pages: 3687-3699

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1080/07391102.2019.1666742

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Enhanced catalytic performance of Zn‐containing HZSM‐5 upon selective desilication in ethane dehydroaromatization process

Goodarzi, Farnoosh ; Pulikkal Thumbayil, Rouzana ; Enemark-Rasmussen, Kasper ; Mielby, Jerrik Jørgen ; Nguyen, Thoa T.M. ; Beato, Pablo ; Joensen, Finn ; Kegnæs, Søren
in: ChemCatChem, vol: 12, issue: 5, pages: 1519-1526

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/cctc.201902123

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Enhancing bio-oil quality and energy recovery by atmospheric hydrodeoxygenation of wheat straw pyrolysis vapors using Pt and Mo-based catalysts

Eschenbacher, Andreas ; Saraeian, Alireza ; Shanks, Brent H. ; Jensen, Peter Arendt ; Li, Chengxin ; Duus, Jens Øllgaard ; Hansen, Asger Baltzer ; Mentzel, Uffe Vie ; Henriksen, Ulrik Birk ; Ahrenfeldt, Jesper ; Jensen, Anker Degn
in: Sustainable Energy & Fuels, vol: 2020, issue: 4, pages: 1991-2008

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/C9SE01254K

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Enzymatic Biofuel Cells for Self-Powered, Controlled Drug Release

Xiao, Xinxin ; McGourty, Kieran Denis ; Magner, Edmond
in: Journal of the American Chemical Society, vol: 142, issue: 26, pages: 11602–11609

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/jacs.0c05749

 

Equation-of-Motion Coupled-Cluster Theory to Model L-Edge X-ray Absorption and Photoelectron Spectra

Vidal, Marta Lopez ; Pokhilko, Pavel ; Krylov, Anna I. ; Coriani, Sonia
in: Journal of Physical Chemistry Letters, vol: 11, pages: 8314-8321

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acs.jpclett.0c02027

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eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods

Folkestad, Sarai D. ; Kjønstad, Eirik F. ; Myhre, Rolf H. ; Andersen, Josefine Hvarregaard ; Balbi, Alice ; Coriani, Sonia ; Giovannini, Tommaso ; Goletto, Linda ; Haugland, Tor S. ; Hutcheson, Anders ; Høyvik, Ida-Marie ; Moitra, Torsha ; Paul, Alexander C. ; Scavino, Marco ; Skeidsvoll, Andreas S. ; Tveten, Åsmund H. ; Koch, Henrik
in: Journal of Chemical Physics, vol: 152, issue: 18

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1063/5.0004713

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Evaluation of a concerted vs. sequential oxygen activation mechanism in α-ketoglutarate-dependent nonheme ferrous enzymes

Goudarzi, Serra ; Iyer, Shyam R ; Babicz, Jeffrey T ; Yan, James J ; Peters, Günther H.J. ; Christensen, Hans Erik Mølager ; Hedman, Britt ; Hodgson, Keith O ; Solomon, Edward I
in: Proceedings of the National Academy of Sciences of the United States of America, vol: 117, issue: 10, pages: 5152-5159

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1073/pnas.1922484117

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Evidence for Non-Innocence of a β-Diketonate Ligand

Vinum, Morten Gotthold ; Voigt, Laura ; Bell, Colby ; Mihrin, Dmytro ; Larsen, René Wugt ; Clark, Kensha Marie ; Pedersen, Kasper S.
in: Chemistry: A European Journal, vol: 26, issue: 10, pages: 2143-2147

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/chem.201904899

 

Exploiting Flexible Memristors Based on Solution-Processed Colloidal CuInSe2 Nanocrystals

Guo, Ruiqi ; Zhang, Linxing ; Meng, Jie ; Liu, Aqiang ; Yuan, Jifeng ; Zheng, Kaibo ; Tian, Jianjun
in: Advanced Electronic Materials, vol: 6, issue: 5

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/aelm.202000035

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Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum

Naumova, Maria A ; Kalinko, Aleksandr ; Wong, Joanne W L ; Alvarez Gutierrez, Sol Laura ; Meng, Jie ; Liang, Mingli ; Abdellah, Mohamed ; Geng, Huifang ; Lin, Weihua ; Kubicek, Katharina ; Biednov, Mykola ; Lima, Frederico ; Galler, Andreas ; Zalden, Peter ; Checchia, Stefano ; Mante, Pierre-Adrien ; Zimara, Jennifer ; Schwarzer, Dirk ; Demeshko, Serhiy ; Murzin, Vadim ; Gosztola, David ; Jarenmark, Martin ; Zhang, Jianxin ; Bauer, Matthias ; Lawson Daku, Max Latevi ; Khakhulin, Dmitry ; Gawelda, Wojciech ; Bressler, Christian ; Meyer, Franc ; Zheng, Kaibo ; Canton, Sophie E
in: The Journal of Chemical Physics, vol: 152, issue: 21

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1063/1.5138641

 

Far-Infrared Investigation of the Benzene-Water Complex: The Identification of Large-Amplitude Motion and Tunneling Pathways

Andersen, J. ; Larsen, René Wugt ; Ceponkus, J ; Uvdal, P ; Nelander, B
in: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol: 124, issue: 3, pages: 513-519

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acs.jpca.9b01497

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Feruloyl Esterases for Biorefineries

Underlin, Emilie Nørmølle ; Frommhagen, Matthias ; Dilokpimol, Adiphol ; van Erven, Gijs ; de Vries, Ronald P. ; Kabel, Mirjam A.
in: Frontiers in Bioengineering and Biotechnology, vol: 8

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.3389/fbioe.2020.00332

 

Flexible and Green Electronics Manufactured by Origami Folding of Nanosilicate-Reinforced Cellulose Paper

Kadumudi, Firoz Babu ; Trifol, Jon ; Jahanshahi, Mohammadjavad ; Zsurzsan, Tiberiu Gabriel ; Mehrali, Mehdi ; Zeqiraj, Eva ; Shaki, Hossein ; Alehosseini, Morteza ; Gundlach, Carsten ; Li, Qiang ; Dong, Mingdong ; Akbari, Mohsen ; Knott, Arnold ; Almdal, Kristoffer ; Dolatshahi-Pirouz, Alireza
in: ACS Applied Materials and Interfaces, vol: 12, issue: 42, pages: 48027–48039

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1021/acsami.0c15326

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Formation, Structure, and Properties of Stimuli-Responsive Polyelectrolyte Films

Huang, Junhao

Type: Ph.D. thesis

Status: Published     |    År: 2020

 

Free‐Standing NiO Nanosheets as Non‐Enzymatic Electrochemical Sensors

Qin, Yanan ; Chen, Fei ; Halder, Arnab ; Zhang, Minwei
in: ChemistrySelect, vol: 5, issue: 8, pages: 2424-2429

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1002/slct.201904511