2020

Publikationer rss feed

2024
 

2D nanomaterial for microplastic Removal: A critical review

Das, Tushar Kanti ; Basak, Suman ; Ganguly, Sayan
in: Chemical Engineering Journal, vol: 492

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.cej.2024.152451

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Advancing Low-Emission Urban Design Through Parametric Modelling and Life Cycle Assessment

Hermansdorfer, Mariusz ; Oettinger, Christian ; Skov-Petersen, Hans ; Fricker, Pia ; Negendahl, Kristoffer
in: Journal of Digital Landscape Architecture, vol: 2024, issue: 9, pages: 858-872

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.14627/537752080

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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     |    Year: 2024     |    DOI: https://doi.org/10.1002/cbic.202300832

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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     |    Year: 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     |    Year: 2024     |    DOI: https://doi.org/10.1021/acs.jpca.3c06386

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A variational reformulation of molecular properties in electronic-structure theory

Jørgensen, Poul ; Olsen, Jeppe ; Johansen, Magnus Bukhave ; von Buchwald, Theo Juncker ; Hillers-Bendtsen, Andreas Erbs ; Mikkelsen, Kurt V. ; Helgaker, Trygve
in: Science Advances, vol: 10, issue: 17

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1126/sciadv.adn3454

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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     |    Year: 2024     |    DOI: https://doi.org/10.1038/s41467-024-45363-3

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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     |    Year: 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     |    Year: 2024     |    DOI: https://doi.org/10.1038/s41563-023-01702-1

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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     |    Year: 2024     |    DOI: https://doi.org/10.1021/acsenergylett.3c02359

 

Characterization of Deformational Isomerization Potential and Interconversion Dynamics with Ultrafast X-ray Solution Scattering

Powers-Riggs, Natalia E. ; Birgisson, Benedikt O. ; Raj, Sumana L. ; Biasin, Elisa ; Lenzen, Philipp ; Zederkof, Diana Bregenholt ; Haubro, Morten ; Tveiten, Dagrún K.V. ; Hartsock, Robert W. ; van Driel, Tim B. ; Kunnus, Kristjan ; Chollet, Matthieu ; Robinson, Joseph S. ; Nelson, Silke ; Forbes, Ruaridh ; Haldrup, Kristoffer ; Pedersen, Kasper S. ; Levi, Gianluca ; Ougaard Dohn, Asmus ; Jónsson, Hannes ; Mo̷ller, Klaus Braagaard ; Natan, Adi ; Nielsen, Martin Meedom ; Gaffney, Kelly J.
in: Journal of the American Chemical Society, vol: 146, pages: 13962−13973

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1021/jacs.4c00817

 

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     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.foodhyd.2023.109286

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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     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.foodhyd.2023.109593

 

Chemical synthesis and immunological evaluation of cancer vaccines based on ganglioside antigens and α-galactosylceramide

Romanò, Cecilia ; Jiang, Hao ; Tahvili, Sahar ; Wei, Peng ; Keiding, Ulrik B. ; Clergeaud, Gael ; Skovbakke, Sarah Line ; Blomberg, Anne Louise ; Hafkenscheid, Lise ; Henriksen, Jonas R. ; Andresen, Thomas L. ; Goletz, Steffen ; Hansen, Anders E. ; Christensen, Dennis ; Clausen, Mads H.
in: Rsc Medicinal Chemistry

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2024     |    DOI: https://doi.org/10.1039/D4MD00387J

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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     |    Year: 2024     |    DOI: https://doi.org/10.1038/s41467-024-45749-3

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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     |    Year: 2024     |    DOI: https://doi.org/10.1149/1945-7111/ad2055

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Controlled Delivery of H2O2: A Three-Enzyme Cascade Flow Reactor for Peroxidase-Catalyzed Reactions

Arshi, Simin ; Madane, Ketan ; Shortall, Kim ; Hailo, Goran ; Alvarez-Malmagro, Julia ; Xiao, Xinxin ; Szymannska, Katarzyna ; Belochapkine, Serguei ; Ranade, Vivek V. ; Magner, Edmond
in: ACS Sustainable Chemistry and Engineering, vol: 12, issue: 28, pages: 10555-10566

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1021/acssuschemeng.4c03220

 

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     |    Year: 2024     |    DOI: https://doi.org/10.1002/ejoc.202400109

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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     |    Year: 2024     |    DOI: https://doi.org/10.1002/cctc.202301377

 

Designing optimal experiments in metabolomics

Sørensen, Mathies Brinks ; Møller, Jan Kloppenborg ; Strube, Mikael Lenz ; Gotfredsen, Charlotte Held
in: Metabolomics, vol: 20, issue: 4

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1007/s11306-024-02122-1

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Diffusion in multicomponent mixed solvent electrolyte systems

Fosbøl, Philip Loldrup ; Stenby, Erling Halfdan ; Thomsen, Kaj
in: Fluid Phase Equilibria, vol: 584

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.fluid.2024.114126

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Direct biomass valorisation to γ-valerolactone by Ru-PNP catalysed hydrogenation in acid

Koranchalil, Sakhitha ; Nielsen, Martin
in: Ees Catalysis, vol: 2, issue: 3, pages: 803-810

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1039/d3ey00247k

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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     |    Year: 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     |    Year: 2024     |    DOI: https://doi.org/10.1002/adom.202302968

 

Dissociation of HeH+ in the electronic ground state using shaped mid-IR laser pulses

Effersø, Kasper L. ; Henriksen, Niels E.
in: Physical Chemistry Chemical Physics, vol: 26, issue: 19, pages: 14140-14148

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1039/d4cp00852a

 

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     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.bios.2023.115890

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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     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.phytochem.2024.113972

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Exploration of ultrafast dynamic processes in photocatalysis

Zhang, Fengying ; Jiang, Yuman ; Liu, Jiaxin ; Jiang, Anqiang ; Cao, Yuehan ; Yu, Shan ; Zheng, Kaibo ; Zhou, Ying
in: Fundamental Research, vol: 2, pages: 803–810

Type: Review (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.fmre.2024.04.003

 

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     |    Year: 2024     |    DOI: https://doi.org/10.1039/BK9781839167898-00023

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Field-induced electronic phase separation in the high-temperature superconductor La1.94Sr0.06CuO4+y

Holm-Dahlin, S. ; Larsen, J. ; Jacobsen, H. ; Rømer, A. T. ; Ţuţueanu, A. E. ; Ahmad, M. ; Grivel, J. C. ; Scheuermann, R. ; Zimmermann, M. V. ; Boehm, M. ; Steffens, P. ; Niedermayer, Ch ; Pedersen, K. S. ; Christensen, N. B. ; Wells, B. O. ; Lefmann, K. ; Udby, L.
in: Physical Review B, vol: 109, issue: 17

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1103/PhysRevB.109.174517

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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     |    Year: 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     |    Year: 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     |    Year: 2024     |    DOI: https://doi.org/10.1021/acssuschemeng.3c07306

 

Generation of Sulfamoyl Radical for the Modular Synthesis of Sulfonamides

Lv, Haiping ; Chen, Xinzhou ; Zhang, Xuemei ; Kramer, Søren ; Lian, Zhong
in: ACS Catalysis, vol: 14, pages: 6513-6524

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1021/acscatal.4c01560

 

Genome-Driven Discovery of Hygrocins in Streptomyces rapamycinicus

Mahmoud Mohamed, Manar Magdy ; Yang, Zhijie ; Lum, Kah Yean ; Peschel, Gundela ; Rosenbaum, Miriam A. ; Weber, Tilmann ; Coriani, Sonia ; Gotfredsen, Charlotte H. ; Ding, Ling
in: Journal of Natural Products, vol: 87, issue: 5, pages: 1321-1329

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1021/acs.jnatprod.3c00767

 

High efficacy treatment of murine Pseudomonas aeruginosa catheter-associated urinary tract infections using the c-di-GMP modulating anti-biofilm compound Disperazol in combination with ciprofloxacin

Hultqvist, Louise Dahl ; Andersen, Jens Bo ; Nilsson, Carl Martin ; Jansen, Charlotte Uldahl ; Rybtke, Morten ; Jakobsen, Tim Holm ; Nielsen, Thomas Eiland ; Qvortrup, Klaus ; Moser, Claus ; Graz, Michael ; Qvortrup, Katrine ; Tolker-Nielsen, Tim ; Givskov, Michael
in: Antimicrobial Agents and Chemotherapy, vol: 68, issue: 6

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1128/aac.01481-23

 

High-performance nonflammable gel polymer electrolyte with 3D interpenetrating network for advanced lithium-ion batteries

Du, Yirou ; Xie, Yuhui ; Chen, Lin ; Hu, Fei ; Liu, Xianshuai ; Yin, Sihao ; Jiang, Hao ; Liang, Xiaodong ; Wu, Feng ; Qiao, Liang ; Mei, Yi ; Xie, Delong
in: Chemical Engineering Journal, vol: 439

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.cej.2024.152810

 

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     |    Year: 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     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.chemphys.2024.112204

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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     |    Year: 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     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.colsurfb.2024.113790

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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     |    Year: 2024     |    DOI: https://doi.org/10.1039/d3cp02547k

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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, vol: 7, issue: 2

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1002/eem2.12591

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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     |    Year: 2024     |    DOI: https://doi.org/10.1021/acs.jced.3c00346

 

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     |    Year: 2024     |    DOI: https://doi.org/10.1021/acsabm.3c01051

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Multiscale biomolecular simulations in the exascale era

Carrasco-Busturia, David ; Ippoliti, Emiliano ; Meloni, Simone ; Rothlisberger, Ursula ; Olsen, Jógvan Magnus Haugaard
in: Current Opinion in Structural Biology, vol: 86

Type: Review (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.sbi.2024.102821

 

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     |    Year: 2024     |    DOI: https://doi.org/10.1002/cctc.202301441

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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     |    Year: 2024     |    DOI: https://doi.org/10.1021/acs.jpclett.4c00375

 

One-Pot Synthesis of Rh Nanoparticles in Polycationic-Shell, Triphenylphosphine Oxide-Functionalized Core-Crosslinked Micelles for Aqueous Biphasic Hydrogenation

Abou-Fayssal, Chantal J. ; Schill, Leonhard ; Poli, Rinaldo ; Manoury, Eric ; Philippot, Karine ; Riisager, Anders
in: ChemCatChem

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2024     |    DOI: https://doi.org/10.1002/cctc.202400189

 

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     |    Year: 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, vol: 87, issue: 4, pages: 1075-1083

Type: Journal article (Peer reviewed)

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

 

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     |    Year: 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     |    Year: 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     |    Year: 2024     |    DOI: https://doi.org/10.1039/d3cc05897b

 

Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing

Jensen, Phillip W.K. ; Kjellgren, Erik Rosendahl ; Reinholdt, Peter ; Ziems, Karl Michael ; Coriani, Sonia ; Kongsted, Jacob ; Sauer, Stephan P.A.
in: Journal of Chemical Theory and Computation, vol: 20, issue: 9, pages: 3613-3625

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1021/acs.jctc.4c00069

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Quantum Mechanical Versus Molecular Mechanical Embedding Schemes

Folkestad, Sarai Dery ; Paul, Alexander C. ; Paul nee Matveeva, Regina ; Reinholdt, Peter ; Coriani, Sonia ; Odelius, Michael ; Koch, Henrik
in: Journal of Chemical Theory and Computation, vol: 20, pages: 4161−4169

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1021/acs.jctc.4c00105

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Rational solvent selection for the preparation of industrial monolithic supported liquid-phase (SLP) olefin hydroformylation catalyst

Schill, Leonhard ; Madani, Mahtab ; Hannebauer, Bernd ; Franke, Robert ; Fehrmann, Rasmus ; Riisager, Anders
in: Green Technologies and Sustainability, vol: 2

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.grets.2024.100102

 

Recalibrating the Risk-Benefit Profiles of Lecanemab and Donanemab

Espay, Alberto J. ; Herrup, Karl ; Imbimbo, Bruno P. ; Kepp, Kasper P. ; Daly, Timothy
in: Journal of Alzheimer's Disease, vol: 99, issue: 3, pages: 877-881

Type: Review (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.3233/JAD-240171

 

Reducing Ice Adhesion to Polyelectrolyte Surfaces by Counterion-Mediated Nonfrozen Hydration Water

Biro, Robert A. ; Tyrode, Eric C. ; Thormann, Esben
in: ACS Applied Materials and Interfaces, vol: 16, pages: 21356-21365

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1021/acsami.4c02434

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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     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.arr.2023.102173

  PDF

Self-Association and Microhydration of Phenol

Mihrin, Dmytro ; Feilberg, Karen Louise ; Larsen, René Wugt
in: Molecules, vol: 29, issue: 13

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.3390/molecules29133012

 

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     |    Year: 2024     |    DOI: https://doi.org/10.1002/adfm.202309511

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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     |    Year: 2024     |    DOI: https://doi.org/10.1007/s11306-023-02078-8

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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     |    Year: 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     |    Year: 2024     |    DOI: https://doi.org/10.1039/d4gc00395k

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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     |    Year: 2024     |    DOI: https://doi.org/10.1002/mma.8925

 

Structural and tribological studies on the interaction of porcine gastric mucin with non- and cationic-modified β-lactoglobulins

Shirazi, Hadi Asgharzadeh ; Lee, Seunghwan ; Ullah, Saif ; Almdal, Kristoffer
in: Colloids and Surfaces B: Biointerfaces

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.colsurfb.2024.113924

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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     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.carbpol.2023.121554

 

Subspace Methods for the Simulation of Molecular Response Properties on a Quantum Computer

Reinholdt, Peter ; Kjellgren, Erik Rosendahl ; Fuglsbjerg, Juliane Holst ; Ziems, Karl Michael ; Coriani, Sonia ; Sauer, Stephan P.A. ; Kongsted, Jacob
in: Journal of Chemical Theory and Computation, vol: 20, issue: 9, pages: 3729-3740

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1021/acs.jctc.4c00211

 

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     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.ces.2024.119824

 

Synthesis of l-cyclodextrins

Beeren, Sophie R.
in: Nature Synthesis

Type: Comment/debate (Peer reviewed)

Status: Accepted/In press     |    Year: 2024     |    DOI: https://doi.org/10.1038/s44160-024-00512-w

 

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     |    Year: 2024     |    DOI: https://doi.org/10.1055/a-2276-6584

 

Tailoring Auger Recombination Dynamics in CsPbI3 Perovskite Nanocrystals via Transition Metal Doping

Meng, Jie ; Lan, Zhenyun ; Lin, Weihua ; Castelli, Ivano E. ; Pullerits, Tönu ; Zheng, Kaibo
in: Nano Letters, vol: 24, issue: 27, pages: 8386-8393

Type: Letter (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1021/acs.nanolett.4c02032

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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     |    Year: 2024     |    DOI: https://doi.org/10.3390/molecules29061368

  PDF

The effect of number of layers of nanoporous gold films on their electrochemical behaviour

Shan, Zhengyang ; Jansen, Charlotte Uldahl ; Yesibolati, Murat Nulati ; Yan, Xiaomei ; Qvortrup, Katrine ; Ulstrup, Jens ; Xiao, Xinxin
in: Electrochimica Acta, vol: 489

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.electacta.2024.144233

  PDF

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     |    Year: 2024     |    DOI: https://doi.org/10.1063/5.0190594

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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     |    Year: 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     |    Year: 2024     |    DOI: https://doi.org/10.1038/s41557-023-01422-8

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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     |    Year: 2024     |    DOI: https://doi.org/10.1016/j.apcatb.2023.123646

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Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory

Folkestad, Sarai Dery ; Paul, Alexander C. ; Paul, Regina ; Coriani, Sonia ; Odelius, Michael ; Iannuzzi, Marcella ; Koch, Henrik
in: Nature Communications, vol: 15, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1038/s41467-024-47690-x

 

Visualizing Metabolism in Biotechnologically Important Yeasts with dDNP NMR Reveals Evolutionary Strategies and Glycolytic Logic

Meier, Sebastian ; Wang, Ke-Chuan ; Sannelli, Francesca ; Hoof, Jakob Blæsbjerg ; Wendland, Jurgen ; Jensen, Pernille Rose
in: Analytical Chemistry

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2024

 

Which Options Exist for NISQ-Friendly Linear Response Formulations?

Ziems, Karl Michael ; Kjellgren, Erik Rosendahl ; Reinholdt, Peter ; Jensen, Phillip W.K. ; Sauer, Stephan P.A. ; Kongsted, Jacob ; Coriani, Sonia
in: Journal of Chemical Theory and Computation, vol: 20, pages: 3551-3565

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2024     |    DOI: https://doi.org/10.1021/acs.jctc.3c01402

2023
 

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     |    Year: 2023     |    DOI: https://doi.org/10.1021/acsapm.3c01400

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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     |    Year: 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     |    Year: 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     |    Year: 2023     |    DOI: https://doi.org/10.1038/s41564-023-01403-0

  PDF

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     |    Year: 2023     |    DOI: https://doi.org/10.1016/j.gee.2022.03.011

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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     |    Year: 2023     |    DOI: https://doi.org/10.1002/aic.18198

  PDF

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     |    Year: 2023     |    DOI: https://doi.org/10.1557/s43579-023-00447-x

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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     |    Year: 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     |    Year: 2023     |    DOI: https://doi.org/10.1039/d3dt00862b

  PDF

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