2011

Amylose dimerization in solution can be studied using a model system

Dansholm, Charlotte Nybro ; Meier, Sebastian ; Beeren, Sophie R.
in: ChemBioChem, vol: 25

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1002/cbic.202300832

An Integrated Framework for Geothermal Energy Storage with CO₂ Sequestration and Utilization

Liu, Yueliang ; Hu, Ting ; Rui, Zhenhua ; Zhang, Zheng ; Du, Kai ; Yang, Tao ; Dindoruk, Birol ; Halfdan Stenby, Erling ; Torabi, Farshid ; Afanasyev, Andrey
in: Engineering , vol: 30, pages: 121-130

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.eng.2022.12.010

Auger-Meitner and X-ray Absorption Spectra of Ethylene Cation

Tenorio, Bruno Nunes Cabral ; Pedersen, Jacob ; Barbatti, Mario ; Decleva, Piero ; Coriani, Sonia
in: The Journal of Physical Chemistry Part A, vol: 128, issue: 1, pages: 107-117

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1021/acs.jpca.3c06386

A zero-valent palladium cluster-organic framework

Liu, Xiyue ; McPherson, James N. ; Andersen, Carl Emil ; Jørgensen, Mike S.B. ; Larsen, René Wugt ; Yutronkie, Nathan J. ; Wilhelm, Fabrice ; Rogalev, Andrei ; Giménez-Marqués, Mónica ; Mínguez Espallargas, Guillermo ; Göb, Christian R. ; Pedersen, Kasper S.
in: Nature Communications, vol: 15, issue: 1

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1038/s41467-024-45363-3

Biomarkers in skin autoimmunity—An update on localised scleroderma

Hernández-Bustos, Adrián ; Bolos, Begona ; Astakhova, Kira
in: Skin Health and Disease, vol: 4, issue: 2

Type: Review (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1002/ski2.335

Calcium-mediated nitrogen reduction for electrochemical ammonia synthesis

Fu, Xianbiao ; Niemann, Valerie A. ; Zhou, Yuanyuan ; Li, Shaofeng ; Zhang, Ke ; Pedersen, Jakob B. ; Saccoccio, Mattia ; Andersen, Suzanne Z. ; Enemark-Rasmussen, Kasper ; Benedek, Peter ; Xu, Aoni ; Deissler, Niklas H. ; Mygind, Jon Bjarke Valbæk ; Nielander, Adam C. ; Kibsgaard, Jakob ; Vesborg, Peter C.K. ; Nørskov, Jens K. ; Jaramillo, Thomas F. ; Chorkendorff, Ib
in: Nature Materials, vol: 23, pages: 101-107

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1038/s41563-023-01702-1

Carrier Cooling in Lead Halide Perovskites

Lin, Weihua ; Canton, Sophie E. ; Zheng, Kaibo ; Pullerits, Tõnu
in: ACS Energy Letters, vol: 9, pages: 298-307

Type: Review (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1021/acsenergylett.3c02359

Characterization of different high amylose starch granules. Part I

Tian, Yu ; Liu, Xingxun ; Kirkensgaard, Jacob Judas Kain ; Khakimov, Bekzod ; Enemark-Rasmussen, Kasper ; Hebelstrup, Kim Henrik ; Blennow, Andreas ; Zhong, Yuyue
in: Food Hydrocolloids, vol: 146

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.foodhyd.2023.109286

Characterization of different high amylose starch granules. Part Ⅱ

Tian, Yu ; Petersen, Bent Larsen ; Liu, Xingxun ; Li, Haiteng ; Kirkensgaard, Jacob Judas Kain ; Enemark-Rasmussen, Kasper ; Khakimov, Bekzod ; Hebelstrup, Kim Henrik ; Zhong, Yuyue ; Blennow, Andreas
in: Food Hydrocolloids, vol: 149

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.foodhyd.2023.109593

Chemoenzymatic indican for light-driven denim dyeing

Bidart, Gonzalo Nahuel ; Teze, David ; Jansen, Charlotte Uldahl ; Pasutto, Eleonora ; Putkaradze, Natalia ; Sesay, Anna Mamusu ; Fredslund, Folmer ; Lo Leggio, Leila ; Ögmundarson, Olafur ; Sukumara, Sumesh ; Qvortrup, Katrine ; Welner, Ditte Hededam
in: Nature Communications, vol: 15, issue: 1

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1038/s41467-024-45749-3

Chromium Oxide-Ruthenium Oxide Solid Solution Anode Implemented in a Solid Phosphate Electrolyzer at 240 °C and 28 Bar Overpressure

Bannert, F. ; Christensen, E. ; Berg, R. W. ; Köhler, K. ; Bjerrum, N. J.
in: Journal of the Electrochemical Society, vol: 171, issue: 1

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1149/1945-7111/ad2055

Decatungstate-Catalyzed Carbon-Carbon Bond Formation Between Furfural and Electron-Deficient Olefins

Nielsen, Emil Krogh ; El-Chami, Kassem ; de Lichtenberg, Clara Mondrup ; Madsen, Robert
in: European Journal of Organic Chemistry

Type: Journal article (Peer reviewed)

Status: Accepted/In press | År: 2024 | DOI: https://doi.org/10.1002/ejoc.202400109

Dependence of the Al Distribution in CHA Zeolite on the Presence of Na⁺ during the Synthesis.

Gao, Qi ; Nielsen, David ; Mossin, Susanne
in: ChemCatChem, vol: 16

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1002/cctc.202301377

Direct Conversion of CO₂ into Alcohols Using Cu-Based Zeolite Catalysts

Iltsiou, Dimitra ; Mielby, Jerrik ; Kegnæs, Søren
in: ChemPlusChem, vol: 89

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1002/cplu.202300313

Direct Visualization of Confinement and Many-Body Correlation Effects in 2D Spectroscopy of Quantum Dots

Amarotti, Edoardo ; Wang, Zhengjun ; Hedse, Albin ; Lenngren, Nils ; Žídek, Karel ; Zheng, Kaibo ; Zigmantas, Donatas ; Pullerits, Tõnu
in: Advanced Optical Materials

Type: Journal article (Peer reviewed)

Status: Accepted/In press | År: 2024 | DOI: https://doi.org/10.1002/adom.202302968

Electrochemical sensing fibers for wearable health monitoring devices

Tian, Hang ; Ma, Junlin ; Li, Yaogang ; Xiao, Xinxin ; Zhang, Minwei ; Wang, Hongzhi ; Zhu, Nan ; Hou, Chengyi ; Ulstrup, Jens
in: Biosensors and Bioelectronics, vol: 246

Type: Review (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.bios.2023.115890

Eremane, viscidane and isozizaene diterpenoids from the leaves of Eremophila rigida and their absolute configurations

Liang, Chao ; Ndi, Chi ; Semple, Susan J. ; Buirchell, Bevan ; Coriani, Sonia ; Møller, Birger Lindberg ; Staerk, Dan
in: Phytochemistry, vol: 219

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.phytochem.2024.113972

External media for inducing weak alignment in biomacromolecules

Meier, Sebastian ; Grzesiek, Stephan
part of: Residual Dipolar Couplings, 2024

Type: Book chapter (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1039/BK9781839167898-00023

Fluorescent probes and degraders of the sterol transport protein Aster-A

He, Nianzhe ; Depta, Laura ; Sievers, Sonja ; Laraia, Luca
in: Bioorganic and Medicinal Chemistry, vol: 103

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.bmc.2024.117673

Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures

Yuan, Xiang ; Halbert, Loïc ; Pototschnig, Johann Valentin ; Papadopoulos, Anastasios ; Coriani, Sonia ; Visscher, Lucas ; Pereira Gomes, André Severo
in: Journal of Chemical Theory and Computation, vol: 20, pages: 677-694

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1021/acs.jctc.3c00812

Fully Biobased Adhesive from Chitosan and Tannic Acid with High Water Resistance

Qie, Runtian ; Zajforoushan Moghaddam, Saeed ; Thormann, Esben
in: ACS Sustainable Chemistry and Engineering, vol: 12, pages: 4456−4463

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1021/acssuschemeng.3c07306

Homogeneous Catalyzed Direct Conversion of Furfural to Gamma-Valerolactone

Koranchalil, Sakhitha ; Pinheiro, Danielle Lobo Justo ; Padilla, Rosa ; Nielsen, Martin
in: ChemSusChem

Type: Journal article (Peer reviewed)

Status: Accepted/In press | År: 2024 | DOI: https://doi.org/10.1002/cssc.202301608

Improved melting temperature predictions for single LNA modifications in synthetic DNA oligonucleotides

Ferreira, Izabela ; Miranda, Pâmella ; Astakhova, Kira ; Weber, Gerald
in: Chemical Physics, vol: 579

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.chemphys.2024.112204

Inhibition of Pseudomonas aeruginosa quorum sensing by chemical induction of the MexEF-oprN efflux pump

Kristensen, Rasmus ; Andersen, Jens Bo ; Rybtke, Morten ; Jansen, Charlotte Uldahl ; Fritz, Blaine Gabriel ; Kiilerich, Rikke Overgaard ; Uhd, Jesper ; Bjarnsholt, Thomas ; Qvortrup, Katrine ; Tolker-Nielsen, Tim ; Givskov, Michael ; Jakobsen, Tim Holm
in: Antimicrobial Agents and Chemotherapy, vol: 68, issue: 2

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1128/aac.01387-23

Injectable Biocompatible RAFT mediated Nitroxide Nanogels

Basak, Suman ; Mukherjee, Ishita ; Kanti Das, Tushar
in: Colloids and Surfaces B: Biointerfaces, vol: 236

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.colsurfb.2024.113790

Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism

Andersen, Josefine H. ; Hättig, Christof ; Coriani, Sonia ; Štěpánek, Petr
in: Physical Chemistry Chemical Physics, vol: 26, pages: 9179–9196

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1039/d3cp02547k

In-situ mineralization of biomass-derived hydrogels boosts capacitive electrochemical energy storage in free-standing 3D carbon aerogels

Achazhiyath Edathil, Anjali ; Rezaei, Babak ; Almdal, Kristoffer ; Keller, Stephan Sylvest
in: Energy & Environmental Materials

Type: Journal article (Peer reviewed)

Status: Accepted/In press | År: 2024 | DOI: https://doi.org/10.1002/eem2.12591

Investigation of the Low-Pressure Phase Behavior and SAFT Modeling of 1-Alcohol and n-Alkane Binary Systems

du Plessis, Susanna H. ; Smith, Sonja A.M. ; Latsky-Galloway, Carla ; Schwarz, Cara E.
in: Journal of Chemical and Engineering Data, vol: 69, pages: 623-638

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1021/acs.jced.3c00346

Kinetic and Mechanistic Study of Aldose Conversion to Functionalized Furans in Aqueous Solutions

Warthegau, Stefan S. ; Karlsson, Magnus ; Madsen, Robert ; Jensen, Pernille Rose ; Meier, Sebastian
in: Catalysts, vol: 14

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.3390/catal14030199

Long-term continuous ammonia electrosynthesis

Li, Shaofeng ; Zhou, Yuanyuan ; Fu, Xianbiao ; Pedersen, Jakob B. ; Saccoccio, Mattia ; Andersen, Suzanne Z. ; Enemark-Rasmussen, Kasper ; Kempen, Paul J. ; Damsgaard, Christian Danvad ; Xu, Aoni ; Sažinas, Rokas ; Mygind, Jon Bjarke Valbæk ; Deissler, Niklas H. ; Kibsgaard, Jakob ; Vesborg, Peter C.K. ; Nørskov, Jens K. ; Chorkendorff, Ib
in: Nature

Type: Journal article (Peer reviewed)

Status: Accepted/In press | År: 2024 | DOI: https://doi.org/10.1038/s41586-024-07276-5

Measuring the Salt Content of Sweat inside a Sweat-Absorbing Skin Adhesive

Eiler, Johannes ; Ehtiati, Koosha ; Sørensen, Ingrid Eklundh ; Thormann, Esben
in: ACS Applied Bio Materials, vol: 7, pages: 452-461

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1021/acsabm.3c01051

Nanocatalysts Based on Ni Nanoparticles in Functionalized Ionic Liquids for Chemoselective Hydrogenation and Transfer Hydrogenation of α,β-unsaturated Carbonyl Compounds

Krishnan, Deepthy ; Schill, Leonhard ; Axet, M. Rosa ; Philippot, Karine ; Riisager, Anders
in: ChemCatChem, vol: 16, issue: 4

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1002/cctc.202301441

Nonadiabatic Charge Transfer within Photoexcited Nickel Porphyrins

Naumova, Maria A. ; Paveliuc, Gheorghe ; Biednov, Mykola ; Kubicek, Katharina ; Kalinko, Aleksandr ; Meng, Jie ; Liang, Mingli ; Rahaman, Ahibur ; Abdellah, Mohamed ; Checchia, Stefano ; Alves Lima, Frederico ; Zalden, Peter ; Gawelda, Wojciech ; Bressler, Christian ; Geng, Huifang ; Lin, Weihua ; Liu, Yan ; Zhao, Qian ; Pan, Qinying ; Akter, Marufa ; Kong, Qingyu ; Retegan, Marius ; Gosztola, David J. ; Pápai, Mátyás ; Khakhulin, Dmitry ; Lawson Daku, Max ; Zheng, Kaibo ; Canton, Sophie E.
in: Journal of Physical Chemistry Letters, vol: 15, issue: 13, pages: 3627-3638

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1021/acs.jpclett.4c00375

Organophotocatalytic Carbamoylation of Morita-Baylis-Hillman Carbonates

Marchini, Lucas ; Vélez, Jeimy A.C. ; Andre, Elias ; Correia, Jose Tiago M. ; Moura, Sidnei ; Paixão, Márcio W.
in: Advanced Synthesis and Catalysis

Type: Journal article (Peer reviewed)

Status: Accepted/In press | År: 2024 | DOI: https://doi.org/10.1002/adsc.202301419

Pepticinnamins N, O, and P, Nonribosomal Peptides from the Soil-Derived Streptomyces mirabilis P8-A2

Mohamed, Manar Magdy Mahmoud ; Abboud, Maria Mahmoud ; Maleckis, Matiss ; Souza, Luciano D. O. ; Moreira, José M. A. ; Gotfredsen, Charlotte H. ; Weber, Tilmann ; Ding, Ling
in: Journal of Natural Products

Type: Journal article (Peer reviewed)

Status: Accepted/In press | År: 2024 | DOI: https://doi.org/10.1021/acs.jnatprod.4c00029

Photoinduced transition-metal-catalyzed enantioselective functionalization of non-acidic C(sp³)−H bonds

Chen, Xuemeng ; Kramer, Søren
in: Chem Catalysis, vol: 4, issue: 1

Type: Review (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.checat.2023.100854

Probing the Reactive Intermediates in CO2 Hydrogenation on Ni/Al₂O₃ Catalysts with Modulation Excitation Spectroscopy

Kock, Mikkel ; Kowalewski, Emil ; Iltsiou, Dimitra ; Mielby, Jerrik ; Kegnæs, Søren
in: ChemCatChem

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1002/cctc.202301447

Promoting photocatalytic hydrogen evolution by modulating the electron-transfer in an ultrafast timescale through Mo-S₆ configuration

Li, Yi ; Yu, Shan ; Cao, Yuehan ; Huang, Yue ; Wang, Qiaohao ; Duan, Yuangang ; Li, Lina ; Zheng, Kaibo ; Zhou, Ying
in: Journal of Materials Science and Technology, vol: 193, pages: 73-80

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.jmst.2024.01.021

Pseudouridine and N1-methylpseudouridine as potent nucleotide analogues for RNA therapy and vaccine development

Ho, Lyana L.Y. ; Schiess, Gabriel H.A. ; Miranda, Pâmella ; Weber, Gerald ; Astakhova, Kira
in: RSC Chemical Biology

Type: Review (Peer reviewed)

Status: Accepted/In press | År: 2024 | DOI: https://doi.org/10.1039/d4cb00022f

Quantitative determination of the binding capabilities of individual large-ring cyclodextrins in complex mixtures

Larsen, Dennis ; Erichsen, Andreas ; Masciotta, Giorgia ; Meier, Sebastian ; Beeren, Sophie R.
in: Chemical Communications, vol: 60, pages: 2090–2093

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1039/d3cc05897b

Revision of Alzheimer's diagnostic criteria or relocation of the Potemkin village

Høilund-Carlsen, Poul F. ; Alavi, Abass ; Barrio, Jorge R. ; Castellani, Rudolph J. ; Costa, Tommaso ; Herrup, Karl ; Kepp, Kasper P. ; Neve, Rachael L. ; Perry, George ; Revheim, Mona Elisabeth ; Robakis, Nikolaos K. ; Sensi, Stefano L. ; Vissel, Bryce
in: Ageing Research Reviews, vol: 93

Type: Comment/debate (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.arr.2023.102173

Sequentially N-Doped Acceptor Primer Layer Facilitates Electron Collection of Inverted Non-Fullerene Organic Solar Cells

Xie, Jiaqi ; Lin, Weihua ; Wang, Dengke ; Lu, Zheng-Hong ; Zheng, Kaibo ; Liang, Ziqi
in: Advanced Functional Materials, vol: 34, issue: 9

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1002/adfm.202309511

Serum metabolic signatures for Alzheimer's Disease reveal alterations in amino acid composition

Nielsen, Jonas Ellegaard ; Andreassen, Trygve ; Gotfredsen, Charlotte Held ; Olsen, Dorte Aalund ; Vestergaard, Karsten ; Madsen, Jonna Skov ; Kristensen, Søren Risom ; Pedersen, Shona
in: Metabolomics, vol: 20, issue: 1

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1007/s11306-023-02078-8

Size-Dependent Multi-Electron Donation in Metal-Complex Quantum Dots Hybrid Catalyst for Photocatalytic Carbon Dioxide Reduction

Zhao, Qian ; Abdellah, Mohamed ; Cao, Yuehan ; Meng, Jie ; Zou, Xianshao ; Enemark-Rasmussen, Kasper ; Lin, Weihua ; Li, Yi ; Chen, Yijiang ; Duan, Hengli ; Pan, Qinying ; Zhou, Ying ; Pullerits, Tonu ; Xu, Hong ; Canton, Sophie E. ; Niu, Yuran ; Zheng, Kaibo
in: Advanced Functional Materials

Type: Journal article (Peer reviewed)

Status: Accepted/In press | År: 2024 | DOI: https://doi.org/10.1002/adfm.202315734

Solvent-driven isomerization of muconates in DMSO

Khalil, Ibrahim ; Rammal, Fatima ; De Vriendt, Lisa ; Narmon, An Sofie ; Sels, Bert F. ; Meier, Sebastian ; Dusselier, Michiel
in: Green Chemistry

Type: Journal article (Peer reviewed)

Status: Accepted/In press | År: 2024 | DOI: https://doi.org/10.1039/d4gc00395k

Spin 1/2 one- and two-particle systems in physical space without eigen-algebra or tensor product

Andoni, Sokol
in: Mathematical Methods in the Applied Sciences, vol: 47, pages: 1457–1470

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1002/mma.8925

Structural elucidation of novel pro-inflammatory polysaccharides from Daphne mezereum L.

Butt, Hussain Shakeel ; Ulriksen, Emilie Steinbakk ; Rise, Frode ; Wangensteen, Helle ; Duus, Jens Øllgaard ; Inngjerdingen, Marit ; Inngjerdingen, Kari Tvete
in: Carbohydrate Polymers, vol: 324

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.carbpol.2023.121554

Synergistic mechanism in anionic/zwitterionic and anionic/nonionic surfactant mixtures on improving the thermal stability of emulsions

Liu, Zilong ; Liu, Ping ; Hei, Yanxiao ; Shi, Di ; Guo, Fengzhi ; Li, Xue ; Leng, Wenxiu ; Lv, Qichao ; Sun, Weichao
in: Chemical Engineering Science, vol: 289

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.ces.2024.119824

Synthesis of Stilbenes by Cyanide/Base-Mediated Coupling of Benzylic Chlorides and Alcohols

Schichler, Johanna ; Madsen, Robert
in: Synthesis (Germany), vol: 56, pages: A-H

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1055/a-2276-6584

Tailoring the Formation of Functionalized Furans from Glucose in Water with Nature-Sourced Catalysts and In Situ NMR

Warthegau, Stefan S. ; Meier, Sebastian
in: Molecules, vol: 29

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.3390/molecules29061368

The effect of dopants (Fe, Al) on the low-temperature activity and SO₂ tolerance in solvothermally synthesized MnO_x NH₃-SCR catalysts

Li, Huirong ; Schill, Leonhard ; Gao, Qi ; Mossin, Susanne ; Riisager, Anders
in: Fuel, vol: 358

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.fuel.2023.130111

The variational quantum eigensolver self-consistent field method within a polarizable embedded framework

Kjellgren, Erik Rosendahl ; Reinholdt, Peter ; Fitzpatrick, Aaron ; Talarico, Walter N. ; Jensen, Phillip W.K. ; Sauer, Stephan P.A. ; Coriani, Sonia ; Knecht, Stefan ; Kongsted, Jacob
in: Journal of Chemical Physics, vol: 160, issue: 12

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1063/5.0190594

Tiresia: a code for molecular electronic continuum states and photoionization

Toffoli, Daniele ; Coriani, Sonia ; Stener, Mauro ; Decleva, Piero
in: Computer Physics Communications, vol: 297

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.cpc.2023.109038

Tunable valence tautomerism in lanthanide–organic alloys

Dunstan, Maja A. ; Manvell, Anna S. ; Yutronkie, Nathan J. ; Aribot, Frédéric ; Bendix, Jesper ; Rogalev, Andrei ; Pedersen, Kasper S.
in: Nature Chemistry

Type: Journal article (Peer reviewed)

Status: Accepted/In press | År: 2024 | DOI: https://doi.org/10.1038/s41557-023-01422-8

Understanding the reversible and irreversible deactivation of methane oxidation catalysts

Mortensen, Rasmus Lykke ; Noack, Hendrik-David ; Pedersen, Kim ; Dunstan, Maja A. ; Wilhelm, Fabrice ; Rogalev, Andrei ; Pedersen, Kasper S. ; Mielby, Jerrik ; Mossin, Susanne
in: Applied Catalysis B: Environmental, vol: 344

Type: Journal article (Peer reviewed)

Status: Published | År: 2024 | DOI: https://doi.org/10.1016/j.apcatb.2023.123646

A Biomimetic Water-Resistant Adhesive Based on ϵ-Polylysine/Tannic Acid Complexation

Kang, Junjie ; Zajforoushan Moghaddam, Saeed ; Larsen, René Wugt ; Thormann, Esben
in: ACS Applied Polymer Materials, vol: 5, pages: 8216−8222

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/acsapm.3c01400

A Curable Underwater Adhesive Based on Poly(propylene oxide) and Tannic Acid Coacervate

Qie, Runtian ; Zajforoushan Moghaddam, Saeed ; Thormann, Esben
in: ACS Applied Polymer Materials, vol: 5, issue: 3, pages: 1646-1650

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/acsapm.2c02018

Adaptive dynamic building envelope integrated with phase change material to enhance the heat storage and release efficiency: A state-of-the-art review

Wang, Pengcheng ; Liu, Zhongbing ; Zhang, Xiaoyang ; Hu, Mengqi ; Zhang, Ling ; Fan, Jianhua
in: Energy and Buildings, vol: 286

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1016/j.enbuild.2023.112928

A genetic switch controls Pseudomonas aeruginosa surface colonization

Manner, Christina ; Dias Teixeira, Raphael ; Saha, Dibya ; Kaczmarczyk, Andreas ; Zemp, Raphaela ; Wyss, Fabian ; Jaeger, Tina ; Laventie, Benoit Joseph ; Boyer, Sebastien ; Malone, Jacob G. ; Qvortrup, Katrine ; Andersen, Jens Bo ; Givskov, Michael ; Tolker-Nielsen, Tim ; Hiller, Sebastian ; Drescher, Knut ; Jenal, Urs
in: Nature Microbiology, vol: 8, pages: 1520–1533

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1038/s41564-023-01403-0

Alcohol Dehydrogenations Catalyzed by Iron(III) and Chromium(III) Catalysts

Hansen, Nicolai S.B.

Type: Ph.D. thesis

Status: Published | År: 2023

Ammonia borane-enabled hydrogen transfer processes

Zhao, Wenfeng ; Li, Hu ; Zhang, Heng ; Yang, Song ; Riisager, Anders
in: Green Energy and Environment, vol: 8, issue: 4, pages: 948-971

Type: Review (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1016/j.gee.2022.03.011

A novel hybrid process design for efficient recovery of hydrophilic ionic liquids from dilute aqueous solutions

Chen, Yuqiu ; Liu, Xinyan ; Lei, Yang ; Liang, Xiaodong ; Gani, Rafiqul ; Kontogeorgis, Georgios M.
in: AIChE Journal, vol: 69, issue: 11

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1002/aic.18198

A review of materials used in tomographic volumetric additive manufacturing

Madrid-Wolff, Jorge ; Toombs, Joseph ; Rizzo, Riccardo ; Bernal, Paulina Nuñez ; Porcincula, Dominique ; Walton, Rebecca ; Wang, Bin ; Kotz-Helmer, Frederik ; Yang, Yi ; Kaplan, David ; Zhang, Yu Shrike ; Zenobi-Wong, Marcy ; McLeod, Robert R. ; Rapp, Bastian ; Schwartz, Johanna ; Shusteff, Maxim ; Talyor, Hayden ; Levato, Riccardo ; Moser, Christophe
in: MRS Communications, vol: 13, pages: 764–785

Type: Review (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1557/s43579-023-00447-x

A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation

Schnack-Petersen, Anna Kristina ; Pápai, Mátyás ; Coriani, Sonia ; Møller, Klaus Braagaard
in: Structural Dynamics, vol: 10, issue: 3

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1063/4.0000183

Base-free, acceptorless dehydrogenative coupling of ethanol to ethyl acetate with PNP complexes

Ni, Zhenwei ; Padilla, Rosa ; Pramanick, Rajib ; Jørgensen, Mike S.B. ; Nielsen, Martin
in: Dalton Transactions, vol: 52, pages: 8193-8197

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1039/d3dt00862b

Bio-based adhesives for wet environments inspired by the natural mussel adhesive

Kang, Junjie

Type: Ph.D. thesis

Status: Published | År: 2023

Candida antarctica lipase B performance in organic solvent at varying water activities studied by molecular dynamics simulations

Tjørnelund, Helena D. ; Vind, Jesper ; Brask, Jesper ; Woodley, John M. ; Peters, Günther H.J.
in: Computational and Structural Biotechnology Journal, vol: 21, pages: 5451-5462

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1016/j.csbj.2023.10.049

Carbon Dioxide-Mediated Desalination

Ayyar, Anand Sharadha-Ravi ; Aregawi, Desta Tesfay ; Petersen, Allan R. ; Pedersen, Jonas Merlin Ibsgaard ; Kragh, Rasmus Refsgaard ; Desoky, Mohamed M. H. ; Sundberg, Jonas ; Vinum, Lars ; Lee, Ji-Woong
in: Journal of the American Chemical Society, vol: 145, issue: 6, pages: 3499–3506

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/jacs.2c11880

Case Studies

Mossin, Susanne ; Nielsen, David
part of: Springer Handbook of Advanced Catalyst Characterization, pages: 887-896, 2023

Type: Book chapter (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1007/978-3-031-07125-6_39

Catalytic base-free transfer hydrogenation of biomass derived furanic aldehydes with bioalcohols and PNP pincer complexes

Padilla, Rosa ; Ni, Zhenwei ; Mihrin, Dmytro ; Larsen, René Wugt ; Nielsen, Martin
in: ChemCatChem, vol: 15, issue: 2

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1002/cctc.202200819

Catalytic Fabric Recycling

Yang, Yang ; Sharma, Shriaya ; Di Bernardo, Carlo ; Rossi, Elisa ; Lima, Rodrigo ; Kamounah, Fadhil S. ; Poderyte, Margarita ; Enemark-Rasmussen, Kasper ; Ciancaleoni, Gianluca ; Lee, Ji Woong
in: ACS Sustainable Chemistry and Engineering, vol: 11, issue: 30, pages: 11294-11304

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/acssuschemeng.3c03114

Cation valence dependence of hydrogen bond and stacking potentials in DNA mesoscopic models

Muniz, Maria Izabel ; Bustos, Adrian H. ; Slott, Sofie ; Astakhova, Kira ; Weber, Gerald
in: Biophysical Chemistry, vol: 294

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1016/j.bpc.2022.106949

Challenges in Simulation of Salt Clogging

Khosravi, Maryam ; Xu, Yao ; Mirazimi, Seyedamir ; Stenby, Erling Halfdan ; Yan, Wei
part of: Proceedings of 2023 SPE EuropEC, 2023
Presented at: SPE EuropEC 2023

Type: Article in proceedings (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.2118/214350-MS

Characterization of Serrulatane Diterpenoids in Eremophila phyllopoda subsp. phyllopoda by Triple High-Resolution α-Glucosidase/PTP1B/Radical Scavenging Profiling, NMR Spectroscopy, DFT-GIAO NMR, and Electronic Circular Dichroism Calculations

Liang, Chao ; Ndi, Chi ; Kjaerulff, Louise ; Semple, Susan ; Buirchell, Bevan ; Coriani, Sonia ; Møller, Birger Lindberg ; Staerk, Dan
in: Journal of Natural Products, vol: 86, issue: 4, pages: 694–709

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/acs.jnatprod.2c00692

Chemokine N-terminal-derived peptides differentially regulate signaling by the receptors CCR1 and CCR5

Larsen, Olav ; Schuermans, Sara ; Walser, Anna ; Louka, Stavroula ; Lillethorup, Ida Aaberg ; Våbenø, Jon ; Qvortrup, Katrine ; Proost, Paul ; Rosenkilde, Mette M.
in: FEBS Letters, vol: 597, issue: 24, pages: 3049-3060

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1002/1873-3468.14778

Chemometrics in Protein Formulation

Kulakova, Alina ; Augustijn, Dillen ; El Bialy, Inas ; Gentiluomo, Lorenzo ; Greco, Maria Laura ; Hervø-Hansen, Stefan ; Indrakumar, Sowmya ; Mahapatra, Sujata ; Martinez Morales, Marcello ; Pohl, Christin ; Polimeni, Marco ; Roche, Aisling ; Svilenov, Hristo L. ; Tosstorff, Andreas ; Zalar, Matja ; Curtis, Robin ; Derrick, Jeremy P. ; Frieß, Wolfgang ; Golovanov, Alexander P. ; Lund, Mikael ; Nørgaard, Allan ; Khan, Tarik A. ; Peters, Günther H J ; Pluen, Alain ; Roessner, Dierk ; Streicher, Werner W. ; van der Walle, Christopher F. ; Warwicker, Jim ; Uddin, Shahid ; Winter, Gerhard ; Bukrinski, Jens Thostrup ; Rinnan, Åsmund ; Harris, Pernille
in: Molecular Pharmaceutics, vol: 20, issue: 6, pages: 2951-2965

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/acs.molpharmaceut.3c00013

CO2 storage in carbonate reservoirs

Mihrin, Dmytro ; Mokhtari, Rasoul ; Talaei, Ali ; Nick, Hamid ; Feilberg, Karen Louise
Presented at: Danish Offshore Technology Conference 2023

Type: Conference abstract for conference (Peer reviewed)

Status: Published | År: 2023

Combining Molecular Dynamics Simulations and Biophysical Characterization to Investigate Protein-Specific Excipient Effects on Reteplase during Freeze Drying

Ko, Suk Kyu ; Björkengren, Gabriella ; Berner, Carolin ; Winter, Gerhard ; Harris, Pernille ; Peters, Günther H.J.
in: Pharmaceutics, vol: 15, issue: 7

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.3390/pharmaceutics15071854

Confinement of Rh nanoparticles in triphenylphosphine oxide-functionalized core-crosslinked micelles for aqueous biphasic hydrogenation catalysis

Abou-Fayssal, Chantal J. ; Fliedel, Christophe ; Poli, Rinaldo ; Riisager, Anders ; Philippot, Karine ; Manoury, Eric
in: Materials Today Chemistry, vol: 34

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1016/j.mtchem.2023.101752

Convergent Total Synthesis of Exochelin 772SM

Jansen, Charlotte Uldahl ; Nørskov, Amalie ; Mortensen, Kim T ; Qvortrup, Katrine M
in: Journal of organic chemistry, vol: 88, issue: 13, pages: 8669–8673

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/acs.joc.3c00561

Conversion of Similar Xenochemicals to Dissimilar Products

Sannelli, Francesca ; Sindahl, Camilla Hjortdal ; Warthegau, Stefan ; Jensen, Pernille Rose ; Meier, Sebastian
in: Molecules, vol: 28, issue: 13

Type: Journal article (Peer reviewed)

Status: Published | År: 2023

CO₂ methanation using metals nanoparticles supported on high surface area MgO

Goodarzi, Farnoosh ; Kock, Mikkel ; Mielby, Jerrik ; Kegnæs, Søren
in: Journal of CO2 Utilization, vol: 69

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1016/j.jcou.2023.102396

Coupled cluster-based methods for linear and nonlinear spectroscopies in different frequency regions

Andersen, Josefine Hvarregaard

Type: Ph.D. thesis

Status: Published | År: 2023

Cu-Speciation in Dehydrated CHA Zeolites Studied by H2-TPR and In Situ EPR

Nielsen, David ; Gao, Qi ; Janssens, Ton V. W. ; Vennestrøm, Peter N. R. ; Mossin, Susanne
in: Journal of Physical Chemistry C, vol: 127, issue: 27, pages: 12995–13004

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/acs.jpcc.3c01782

Decomposing Chemical Space

Kjeldal, Frederik I. ; Eriksen, Janus J.
in: Journal of Chemical Theory and Computation, vol: 19, pages: 2029−2038

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/acs.jctc.2c01290

Denmark as the Energy Island Pioneer

Østergaard, Jacob ; Christensen, Erik Damgaard ; Halsnæs, Kirsten ; Riisager-Simonsen, Christian ; Lisbjerg, Dennis ; Jensen, Anker Degn ; Duus, Jens Øllgaard ; Madsen, Henrik ; Frandsen, Henrik Lund ; Savaghebi, Mehdi ; Zhang, Wenjing (Angela) ; Keles, Dogan ; Ladenburg, Jacob ; Vest, Malene Rod ; Seger, Brian ; Mortensen, Niels Henrik ; Sin, Gürkan ; Kitzing, Lena ; Kolios, Athanasios ; Thomsen, Kenneth ; Dominkovic, Dominik Franjo ; Katsanos, Evangelos ; Zania, Varvara ; Riisager, Anders ; Astrup, Thomas Fruergaard ; Sulayman, Ashraf Fathi Khalil ; Hoffmann, Ulla ; Andersen, Ditte Kirstine ; Brückner, Lars ; Andersen, Morten ; Uhd, Leon Aahave

Type: Report

Status: Published | År: 2023

Description of the KLL Auger–Meitner decay spectra of argon following primary and satellite core-ionized states

Pedersen, Jacob ; Decleva, Piero ; Coriani, Sonia ; Tenorio, Bruno Nunes Cabral
in: Journal of Chemical Physics, vol: 159

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1063/5.0156612

Design and Evaluation of An Intranasal Carbohydrate-based Vaccine against Streptococcus pneumoniae Serotype 12F

Wei, Peng

Type: Ph.D. thesis

Status: Published | År: 2023

Determination of Diffusion Coefficients from Constant Volume Diffusion Tests through Numerical Simulation

Yan, Wei ; Yang, Yibo ; Stenby, Erling H.
in: Fluid Phase Equilibria, vol: 576

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1016/j.fluid.2023.113944

Development and mechanistic investigation of the dehydrogenation of alcohols with an iron(iii) salen catalyst

Hansen, Nicolai S.B. ; Monda, Fabrizio ; Bro, Frederik Simonsen ; Liu, Xiyue ; Ahlquist, Mårten S.G. ; Madsen, Robert
in: Organic and Biomolecular Chemistry, vol: 21, pages: 4794–4800

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1039/d3ob00466j

Differences in Human and Mouse Immunological Evaluation of Cancer Vaccines Based on Ganglioside Antigens and α-Galactosylceramide

Skovbakke, Sarah Line ; Blomberg, Anne Louise ; Hafkenscheid, Lise ; Romano, Cecilia ; Jiang, Hao ; Tahvili, Sahar ; Wei, Peng ; Henriksen, Jonas R. ; Hansen, Anders E. ; Clausen, Mads H.
in: Glycobiology, vol: 33, issue: 11, pages: 1011-1011
Presented at: Society For Glycobiology 2023

Type: Conference abstract in journal (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1093/glycob/cwad080

Direct C(sp²)–H Borylation of Arenes Using Ir-bpy Porous Organic Polymers

Bennedsen, Niklas R. ; Yang, Faliu ; Goodarzi, Farnoosh ; Kramer, Søren ; Kegnæs, Søren
in: Topics in Catalysis, vol: 66, pages: 1451–1456

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1007/s11244-023-01820-9

Dopamine-Assisted Layer-by-Layer Deposition Providing Coatings with Controlled Thickness, Roughness, and Functional Properties

Qie, Runtian ; Zajforoushan Moghaddam, Saeed ; Thormann, Esben
in: ACS Omega, vol: 8, pages: 2965−2972

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/acsomega.2c05620

Dual color tomographic volumetric printing for stiffness-graded scaffold

Wang, Bin ; Engay, Einstom ; Yang, Yi ; Islam, Aminul
part of: European Society for Precision Engineering and Nanotechnology, Conference Proceedings, pages: 119-120, 2023
Presented at: 23rd International Conference of the European Society for Precision Engineering and Nanotechnology

Type: Conference abstract in proceedings (Peer reviewed)

Status: Published | År: 2023

Durable Catalysts for Complete Methane Oxidation

Mortensen, Rasmus Lykke

Type: Ph.D. thesis

Status: Published | År: 2023

Effect of Submonolayer ZnS Shell on Biexciton Dynamics of Indium Phosphide Quantum Dots

Meng, Jie ; Zhao, Qian ; Lin, Weihua ; Pullerits, Tönu ; Zheng, Kaibo
in: Advanced Electronic Materials, vol: 9

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1002/aelm.202300439

Effects of natural starch-phosphate monoester content on the multi-scale structures of potato starches

Ding, Li ; Liang, Wenxin ; Qu, Jianzhou ; Persson, Staffan ; Liu, Xingxun ; Herburger, Klaus ; Kirkensgaard, Jacob Judas Kain ; Khakimov, Bekzod ; Enemark-Rasmussen, Kasper ; Blennow, Andreas ; Zhong, Yuyue
in: Carbohydrate Polymers, vol: 310

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1016/j.carbpol.2023.120740

Efficient Protocol for Computing MCD Spectra in a Broad Frequency Range Combining Resonant and Damped CC2 Quadratic Response Theory

Andersen, Josefine H. ; Coriani, Sonia ; Hättig, Christof
in: Journal of Chemical Theory and Computation, vol: 19, pages: 5977−5987

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/acs.jctc.3c00536

Electronic Characterization of Glycolaldehyde

Folkestad, Sarai Dery ; Paul, Alexander C. ; Ponzi, Aurora ; Grazioli, Cesare ; Coreno, Marcello ; de Simone, Monica ; Koch, Henrik ; Coriani, Sonia
in: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol: 127, issue: 50, pages: 10621-10631

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1021/acs.jpca.3c06703

Eliminating finite-size effects on the calculation of x-ray scattering from molecular dynamics simulations

Dohn, A. O. ; Markmann, V. ; Nimmrich, A. ; Haldrup, K. ; Møller, K. B. ; Nielsen, M. M.
in: Journal of Chemical Physics, vol: 159, issue: 12

Type: Journal article (Peer reviewed)

Status: Published | År: 2023 | DOI: https://doi.org/10.1063/5.0164365

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