2021

3d Transition Metal Catalyzed Dehydrogenation of Alcohols

Miao, Yulong

Type: Ph.D. thesis

Status: Published | År: 2021

A base measure of precision for protein stability predictors: structural sensitivity

Caldararu, Octav ; Blundell, Tom L ; Kepp, Kasper Planeta
in: BMC Bioinformatics, vol: 22, issue: 1

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1186/s12859-021-04030-w

ABCG transporters export cutin precursors for the formation of the plant cuticle

Elejalde-Palmett, Carolina ; Martinez San Segundo, Ignacio ; Garroum, Imène ; Charrier, Laurence ; De Bellis, Damien ; Mucciolo, Antonio ; Guerault, Aurore ; Liu, Jie ; Zeisler-Diehl, Viktoria ; Aharoni, Asaph ; Schreiber, Lukas ; Bakan, Bénédicte ; Clausen, Mads Hartvig ; Geisler, Markus ; Nawrath, Christiane
in: Current Biology, vol: 31, issue: 10, pages: 2111-2123.e9

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.cub.2021.02.056

Additive Manufacturing Assisted Solvent Casting of 3D Free-Standing Carbonaceous Hydrogels and Aerogels As Electrodes for Supercapacitors

Achazhiyath Edathil, Anjali ; Rezaei, Babak ; Almdal, Kristoffer ; Keller, Stephan Sylvest
part of: ECS Meeting Abstracts, pages: 39-39, 2022
Presented at: 239th ECS Meeting with the 18th International Meeting on Chemical Sensors

Type: Conference abstract in proceedings (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1149/MA2021-01139mtgabs

Adsorption, Stretching and Breaking Processes in Single‐Molecule Conductance of para‐Benzenedimethanethiol in Gold Nanogaps: A DFT‐NEGF Theoretical Study

Guan, Si-Yuan ; Cai, Zhuan-Yun ; Liu, Jia ; Pang, Ran ; Wu, De-Yin ; Ulstrup, Jens ; Tian, Zhong-Qun
in: ChemElectroChem, vol: 8, issue: 6, pages: 1123-1133

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1002/celc.202100184

Advanced Exergy Analysis for a Novel Gasoline Absorption-Stabilization Process

Lei, Yang ; Chen, Yuqiu ; Yang, Yibo ; Liu, Xinyan ; Luo, Hao ; Yan, Wei
in: ACS Omega, vol: 6, issue: 23, pages: 15332-15347

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acsomega.1c01658

A multi-method approach to assess the self-interaction behavior of Infliximab

Domnowski, Martin ; Maruno, Takahiro ; Enomoto, Kanta ; Kummer, Felix ; Kulakova, Alina Vitaliyivna ; Harris, Pernille ; Uchiyama, Susumu ; Jaehrling, Jan ; Frieß, Wolfgang
in: Journal of Pharmaceutical Sciences, vol: 110, issue: 5, pages: 1979-1988

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.xphs.2021.02.002

An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy

Tsuru, Shota ; Vidal, Marta Lopez ; Pápai, Mátyás Imre ; Krylov, Anna I. ; Møller, Klaus Braagaard ; Coriani, Sonia
in: Structural Dynamics, vol: 8, issue: 2

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1063/4.0000070

A new approach to thermal segregation in petroleum reservoirs: Algorithm and case studies

Baghooee, Hadise ; Montel, François ; Galliero, Guillaume ; Yan, Wei ; Shapiro, Alexander
in: Journal of Petroleum Science and Engineering, vol: 201

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.petrol.2021.108367

Antimicrobial PDMS Surfaces Prepared through Fastand Oxygen-Tolerant SI-SARA-ATRP, Using Na₂SO₃ as a Reducing Agent

Andersen, Christian ; Zverina, Libor ; Ehtiati, Koosha ; Thormann, Esben ; Mordhorst, Hanne ; Pamp, Sünje J. ; Madsen, Niels J. ; Daugaard, Anders E.
in: ACS Omega, vol: 6, issue: 22, pages: 14551–14558

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acsomega.1c01611

A pH-responsive polyelectrolyte multilayer film with tunable interfacial properties

Jiang, Tao ; Moghaddam, Saeed Zajforoushan ; Thormann, Esben
in: Polymer, vol: 214

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.polymer.2020.123367

A pipeline towards the biochemical characterization of the arabidopsis gt14 family

Xuan, Lingling ; Zhang, Jie ; Lu, Weitai ; Gluza, Pawel ; Ebert, Berit ; Kotake, Toshihisa ; Lu, Mengzhu ; Zhang, Yuan ; Clausen, Mads Hartvig ; Johnson, Kim L. ; Doblin, Monika S. ; Heazlewood, Joshua L. ; Bacic, Antony ; Song, Lili ; Zeng, Wei
in: International Journal of Molecular Sciences , vol: 22, issue: 3

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.3390/ijms22031360

Asymmetric Spacer in Dion–Jacobson Halide Perovskites Induces Staggered Alignment to Direct Out‐of‐Plane Carrier Transport and Enhance Ambient Stability Simultaneously

Yu, Shuang ; Abdellah, Mohamed ; Pullerits, Tõnu ; Zheng, Kaibo ; Liang, Ziqi
in: Advanced Functional Materials, vol: 31, issue: 46

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1002/adfm.202104342

A "three-in-one" multi-functional probe for Bcl-2/Mcl-1 profiling and visualizing in situ

Zhang, Xiaodong ; Wang, Ziqian ; Guo, Zongwei ; Song, Ting ; He, Nianzhe ; Zhu, Junjie ; Cao, Keke ; Zhang, Zhichao
in: ChemBioChem, vol: 22, issue: 2, pages: 326-329

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1002/cbic.202000441

Atomic-Scale Observation of Oxygen Vacancy-Induced Step Reconstruction in WO₃

Meng, Jie ; Lan, Zhenyun ; Castelli, Ivano Eligio ; Zheng, Kaibo
in: Journal of Physical Chemistry C, vol: 125, issue: 15, pages: 8456–8460

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.jpcc.1c01577

Base-Free Synthesis of Furfurylamines from Biomass Furans Using Ru Pincer Complexes

Pinheiro, Danielle Lobo Pinheiro ; Nielsen, Martin
in: Catalysts, vol: 11, issue: 5

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.3390/catal11050558

Behind the scenes of spin-forbidden decay pathways in transition metal complexes

Moitra, Torsha ; Karak, Pijush ; Chakraborty, Sayantani ; Ruud, Kenneth ; Chakrabarti, Swapan
in: Physical Chemistry Chemical Physics, vol: 23, pages: 59-81

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1039/d0cp05108j

Beyond hydrogen production

Dan, Meng ; Xiang, Jianglai ; Yang, Jian ; Wu, Fan ; Han, Chunqiu ; Zhong, Yunqian ; Zheng, Kaibo ; Yu, Shan ; Zhou, Ying
in: Applied Catalysis B: Environmental, vol: 284

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.apcatb.2020.119706

Bifunctional and Self-Supported NiFeP-Layer-Coated NiP Rods for Electrochemical Water Splitting in Alkaline Solution

Diao, Fangyuan ; Huang, Wei ; Ctistis, Georgios ; Wackerbarth, Hainer ; Yang, Yuan ; Si, Pengchao ; Zhang, Jingdong ; Xiao, Xinxin ; Engelbrekt, Christian
in: ACS Applied Materials and Interfaces, vol: 13, issue: 20, pages: 23702-23713

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acsami.1c03089

Bimolecular reaction dynamics and spectroscopy of weakly bound complexes

Voute, Alexandre Paolo

Type: Ph.D. thesis

Status: Published | År: 2021

Binding Sites for Oligosaccharide Repeats from Lactic Acid Bacteria Exopolysaccharides on Bovine β-Lactoglobulin Identified by NMR Spectroscopy

Birch, Johnny ; Khan, Sanaullah ; Madsen, Mikkel ; Kjeldsen, Christian ; Møller, Marie Sofie ; Stender, Emil G. P. ; Peters, Günther H.J. ; Duus, Jens Ø. ; Kragelund, Birthe B. ; Svensson, Birte
in: ACS Omega, vol: 6, issue: 13, pages: 9039-9052

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acsomega.1c00060

Boosting the electrocatalytic hydrogen evolution and sodium-storage properties of Co9S8 nanoparticles via encapsulation with nitrogen-doped few-layer graphene networks

Qian, Lizhi ; Wei, Zhiqiang ; Yu, Tingli ; Chang, Bingdong ; Wang, Zhiyuan ; Liu, Yanguo ; Sun, Hongyu ; Huang, Wei
in: Sustainable Energy and Fuels, vol: 5, pages: 4618-4627

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1039/D1SE00829C

Boron-Modified Mesoporous ZSM-5 for the Conversion of Pyrolysis Vapors from LDPE and Mixed Polyolefins: Maximizing the C₂–C₄ Olefin Yield with Minimal Carbon Footprint

Eschenbacher, Andreas ; Goodarzi, Farnoosh ; Varghese, Robin John ; Enemark-Rasmussen, Kasper ; Kegnæs, Søren ; Abbas-Abadi, Mehrdad Seifali ; Van Geem, Kevin Marcel
in: ACS Sustainable Chemistry and Engineering, vol: 9, issue: 43, pages: 14618-14630

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acssuschemeng.1c06098

Building up cyclodextrins from scratch - templated enzymatic synthesis of cyclodextrins directly from maltose

Larsen, Dennis ; Beeren, Sophie
in: Chemical Communications, vol: 57, pages: 8456–8460

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1039/d1cc00137j

Capturing Correlation Effects on Photoionization Dynamics

Moitra, Torsha ; Coriani, Sonia ; Decleva, Piero
in: Journal of Chemical Theory and Computation, vol: 17, issue: 8, pages: 5064-5079

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.jctc.1c00303

CarboCell provides new opportunities for image-guided high-precision intratumoral combinatorial immunotherapy

Jensen, Sophie B. ; Chavez, Elizabeth S. ; Haldorsdottir, Holmfridur R. ; Melander, Fredrik ; Scheeper, Marouschka J. ; Bruun, Linda M. ; Henriksen, Jonas R. ; Hansen, Anders Elias ; Andresen, Thomas L.
in: Cancer Research, vol: 81, issue: 13, suppl.

Type: Conference abstract in journal (Peer reviewed)

Status: Published | År: 2021

Carbon Nanotubes-Potent Carriers for Targeted Drug Delivery in Rheumatoid Arthritis

Kofoed Andersen, Camilla ; Khatri, Sangita ; Hansen, Jonas ; Slott, Sofie ; Pavan Parvathaneni, Rohith ; Mendes, Ana C ; Chronakis, Ioannis S ; Hung, Shu-Chen ; Rajasekaran, Narendiran ; Ma, Zhuoran ; Zhu, Shoujun ; Dai, Hongjie ; Mellins, Elizabeth D ; Astakhova, Kira
in: Pharmaceutics, vol: 13, issue: 4

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.3390/pharmaceutics13040453

Catalytic Transesterification Routes to Novel Vinyl Glycolate Derivatives of Polyhydric Alcohols

Buendia, Mikkel B. ; Daugaard, Anders E. ; Riisager, Anders
in: Catalysis Letters, vol: 1515, pages: 8-16

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1007/s10562-020-03266-0

Ce and Ca/Nb doped Pd-mesocellular foam catalysts for gas-phase conversion of acetone to methyl isobutyl ketone

Grzelak, Kalina ; Thumbayil, Rouzana Pulikkal ; Kegnæs, Søren ; Trejda, Maciej ; Riisager, Anders
in: Microporous and Mesoporous Materials, vol: 322

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.micromeso.2021.111169

Cell-imprinted substrates: in search of nanotopographical fingerprints that guide stem cell differentiation

Kamguyan, Khorshid ; Moghaddam, Saeed Zajforoushan ; Nazbar, Abolfazl ; Haramshahi, Seyyed Mohammad Amin ; Taheri, Shiva ; Bonakdar, Shahin ; Thormann, Esben
in: Nanoscale Advances, vol: 3, issue: 2, pages: 333-338

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1039/D0NA00692K

Cell wall configuration and ultrastructure of cellulose crystals in green seaweeds

Thygesen, Anders ; Fernando, Dinesh ; Ståhl, Kenny ; Daniel, Geoffrey ; Mensah, Moses ; Meyer, Anne S.
in: Cellulose, vol: 28, pages: 2763-2778

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1007/s10570-021-03698-w

Chaotropic and Kosmotropic Anions Regulate the Outcome of Enzyme-Mediated Dynamic Combinatorial Libraries of Cyclodextrins in Two Different Ways

Erichsen, Andreas ; Larsen, Dennis ; Beeren, Sophie R.
in: Frontiers in Chemistry, vol: 9

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.3389/fchem.2021.721942

Characterising Alzheimer's disease through integrative NMR- and LC-MS-based metabolomics

Nielsen, Jonas Ellegaard ; Maltesen, Raluca Georgiana ; Havelund, Jesper F. ; Færgeman, Nils J. ; Gotfredsen, Charlotte Held ; Vestergård, Karsten ; Kristensen, Søren Risom ; Pedersen, Shona
in: Metabolism Open, vol: 12

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.metop.2021.100125

Charge Carrier Diffusion Dynamics in Multisized Quaternary Alkylammonium-Capped CsPbBr₃ Perovskite Nanocrystal Solids

Gutiérrez Álvarez, Sol ; Lin, Weihua ; Abdellah, Mohamed ; Meng, Jie ; Žídek, Karel ; Pullerits, Tõnu ; Zheng, Kaibo
in: ACS Applied Materials and Interfaces, vol: 13, issue: 37, pages: 44742-44750

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acsami.1c11676

Chemical Vapor Deposition of Hollow Graphitic Spheres for Improved Electrochemical Durability

Knossalla, J. ; Mielby, J. ; Göhl, D. ; Wang, F. R. ; Jalalpoor, D. ; Hopf, A. ; Mayrhofer, K. J.J. ; Ledendecker, M. ; Schüth, F.
in: ACS Applied Energy Materials, vol: 4, issue: 6, pages: 5840-5847

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acsaem.1c00643

Classification of colorimetric sensor data using time series

Francis, Deena P. ; Laustsen, Milan ; Babamoradi, Hamid ; Mogensen, Jesper ; Dossi, Eleftheria ; Jakobsen, Mogens H. ; Alstrøm, Tommy S.
part of: Artificial Intelligence and Machine Learning in Defense Applications III, 2021, Washington
Presented at: SPIE Security + Defence, 2021

Type: Article in proceedings (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1117/12.2600182

Cobalt/nitrogen doped porous carbon as catalysts for efficient oxygen reduction reaction: towards hybrid enzymatic biofuel cells

Feng, Xiaogeng ; Xiao, Xinxin ; Zhang, Jingdong ; Guo, Liping ; Xiong, Ying
in: Electrochimica Acta, vol: 389

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.electacta.2021.138791

Collagenase and Tyrosinase Inhibitory Effect of Isolated Constituents from the Moss Polytrichum formosum

Marques, Raíssa Volpatto ; Guillaumin, Agnès ; Abdelwahab, Ahmed B. ; Salwinski, Aleksander ; Gotfredsen, Charlotte H. ; Bourgaud, Frédéric ; Enemark-Rasmussen, Kasper ; Miguel, Sissi ; Simonsen, Henrik Toft
in: Plants, vol: 10, issue: 7

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.3390/plants10071271

Complete Mesoscopic Parameterization of Single LNA Modifications in DNA Applied to Oncogene Probe Design

Ferreira, Izabela ; Slott, Sofie ; Astakhova, Kira ; Weber, Gerald
in: Journal of Chemical Information and Modeling, vol: 61, issue: 7, pages: 3615-3624

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.jcim.1c00470

Computational prediction and molecular mechanism of γ-secretase modulators

Mehra, Rukmankesh ; Kepp, Kasper Planeta
in: European Journal of Pharmaceutical Sciences, vol: 157

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.ejps.2020.105626

Computing Cellulase Kinetics with a Two-Domain Linear Interaction Energy Approach

Schaller, Kay ; Kari, Jeppe ; Molina, Gustavo A. ; Tidemand, Kasper D. ; Borch, Kim ; Peters, Günther H.J. ; Westh, Peter
in: ACS Omega, vol: 6, issue: 2, pages: 1547-1555

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acsomega.0c05361

CoP Nanoparticles Fabricated Through the Nanoscale Kirkendall Effect Immobilized in 3D Hollow Carbon Frameworks for Oxygen Evolution Reaction

Huang, Wei ; Tang, Jing ; Diao, Fangyuan ; Li, Shuo ; Sun, Hongyu ; Xiao, Xinxin
in: Journal of the Electrochemical Society, vol: 168, issue: 9

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1149/1945-7111/ac2090

Copper Imbalance in Alzheimer's Disease and Its Link with the Amyloid Hypothesis: Towards a Combined Clinical, Chemical, and Genetic Etiology

Squitti, Rosanna ; Faller, Peter ; Hureau, Christelle ; Granzotto, Alberto ; White, Anthony R. ; Kepp, Kasper Planeta
in: Journal of Alzheimer's Disease, vol: 83, issue: 1, pages: 23-41

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.3233/JAD-201556

Correction: Nanoporous hybrid CuO/ZnO/carbon papers used as ultrasensitive non-enzymatic electrochemical sensors

Zhang, Minwei ; Zhang, Wenrui ; Chen, Fei ; Hou, Chengyi ; Halder, Arnab ; Chi, Qijin
in: RSC Advances, vol: 11, issue: 48, pages: 29912-29912

Type: Journal article

Status: Published | År: 2021 | DOI: https://doi.org/10.1039/D1RA90140K

Correlating Structure and Photophysics in Metal Halide Perovskite Crystals

Liang, Mingli

Type: Ph.D. thesis

Status: Published | År: 2021

Crucial Nonelectrostatic Effects on Polyelectrolyte Brush Behavior

Ehtiati, Koosha ; Moghaddam, Saeed Z. ; Daugaard, Anders E. ; Thormann, Esben
in: Macromolecules, vol: 54, issue: 7, pages: 3388-3394

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.macromol.0c02526

CsPbBr₃纳米晶微观形貌非依赖的线性吸收截面

Zhang, Fengying ; Liu, Yuchen ; Wei, Shiqian ; Chen, Junsheng ; Zhou, Ying ; He, Rongxing ; Pullerits, Tõnu ; Zheng, Kaibo
in: Science China Materials, vol: 64, pages: 1418–1426

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1007/s40843-020-1555-1

Cu₂S@Bi₂S₃Double-Shelled Hollow Cages as a Nanocatalyst with Substantial Activity in Peroxymonosulfate Activation for Atrazine Degradation

ElMetwally, Ahmed E. ; Goodarzi, Farnoosh ; Meier, Katlyn K. ; Zahran, Elsayed M. ; Rayat, Sundeep ; Kegnæs, Søren ; Knecht, Marc R. ; Bachas, Leonidas G.
in: ACS Applied Nano Materials , vol: 4, issue: 11, pages: 12222-12234

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acsanm.1c02741

Damped (linear) response theory within the resolution-of-identity coupled cluster singles and approximate doubles (RI-CC2) method

Fedotov, Daniil ; Coriani, Sonia ; Hättig, Christof
in: Journal of Chemical Physics, vol: 154, issue: 12

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1063/5.0042759

Decomposed Mean-Field Simulations of Local Properties in Condensed Phases

Eriksen, Janus Juul
in: Journal of Physical Chemistry Letters, vol: 12, pages: 6048-6055

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.jpclett.1c01375

Density Modeling of High-Pressure Mixtures using Cubic and Non-Cubic EoS and an Excess Volume Method

Yan, Wei ; Regueira Muñiz , Teresa ; Liu, Yiqun ; Stenby, Erling Halfdan
in: Fluid Phase Equilibria, vol: 530

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.fluid.2020.112884

Design of a New SO2-Surrogate and Its Applications in Palladium-Catalyzed Direct Aminosulfonylations between Aryl Iodides and Amines

Lian, Zhong ; Jia, Xiuwen ; Kramer, Søren ; Skrydstrup, Troels
in: Angewandte Chemie International Edition, vol: 60, issue: 13, pages: 7353-7359

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1002/anie.202014111

Determination of methane diffusion coefficients in live oils for tight reservoirs at high pressures

Yang, Yibo ; Regueira, Teresa ; Rodriguez, Hilario Martin ; Shapiro, Alexander ; Stenby, Erling Halfdan ; Yan, Wei
part of: Proccedings of the SPE Annual Technical Conference and Exhibition, 2021
Presented at: SPE Annual Technical Conference and Exhibition 2021

Type: Article in proceedings (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.2118/206100-MS

Detlev Müller's Discovery of Glucose Oxidase in 1925

Heller, Adam ; Ulstrup, Jens
in: Analytical Chemistry, vol: 93, issue: 18, pages: 7148-7149

Type: Comment/debate (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.analchem.1c01191

Developing Halogen‐Free Polymer Donor for Efficient Nonfullerene Organic Solar Cells by Addition of Highly Electron‐Deficient Diketopyrrolopyrrole Unit

Ji, Jingjing ; Xie, Jiaqi ; Tang, Junhui ; Zheng, Kaibo ; Liang, Ziqi
in: Solar RRL, vol: 5, issue: 5

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1002/solr.202100142

Development and Application of Second-Order Methods for UV-VIS Spectroscopy of Organic Molecules

Fedotov, Daniil

Type: Ph.D. thesis

Status: Published | År: 2021

Development of a Fast Screening Method for Selecting Excipients in Formulations using MD simulations, NMR and MicroScale Thermophoresis

Indrakumar, Sowmya ; Zalar, Matja ; Tschammer, Nuska ; Pohl, Christin Alina ; Nørgaard, Allan ; Streicher, Werner ; Harris, Pernille ; Golovanov, Alexander P ; Peters, Günther H.J.
in: European Journal of Pharmaceutics and Biopharmaceutics, vol: 158, pages: 11-20

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.ejpb.2020.10.015

Direct coordination of pterin to FeII enables neurotransmitter biosynthesis in the pterin-dependent hydroxylases

Iyer, Shyam R. ; Tidemand, Kasper Damgaard ; Babicz, Jeffrey T. ; Jacobs, Ariel B. ; Gee, Leland B. ; Haahr, Lærke Tvedebrink ; Yoda, Yoshitaka ; Kurokuzu, Masayuki ; Kitao, Shinji ; Saito, Makina ; Seto, Makoto ; Christensen, Hans Erik Mølager ; Peters, Günther H. J. ; Solomon, Edward I.
in: Proceedings of the National Academy of Sciences, vol: 118, issue: 15

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1073/pnas.2022379118

Direct electron transfer of fructose dehydrogenase immobilized on thiol-gold electrodes

Yan, Xiaomei ; Ma, Su ; Tang, Jing ; Tanner, David ; Ulstrup, Jens ; Xiao, Xinxin ; Zhang, Jingdong
in: Electrochimica Acta, vol: 392

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.electacta.2021.138946

Discovery of fungal oligosaccharide-oxidising flavo-enzymes with previously unknown substrates, redox-activity profiles and interplay with LPMOs

Haddad Momeni, Majid ; Fredslund, Folmer ; Bissaro, Bastien ; Raji, Olanrewaju ; Vuong, Thu V. ; Meier, Sebastian ; Nielsen, Tine Sofie ; Lombard, Vincent ; Guigliarelli, Bruno ; Biaso, Frédéric ; Haon, Mireille ; Grisel, Sacha ; Henrissat, Bernard Paul ; Welner, Ditte Hededam ; Master, Emma R. ; Berrin, Jean-Guy ; Abou Hachem, Maher
in: Nature Communications, vol: 12

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1038/s41467-021-22372-0

Dynamic enzymatic synthesis of γ-cyclodextrin using a photoremovable hydrazone template

Yang, Sirun ; Larsen, Dennis ; Pellegrini, Maria ; Meier, Sebastian ; Mierke, Dale F. ; Beeren, Sophie R. ; Aprahamian, Ivan
in: Chem, vol: 7, issue: 8, pages: 2190-2200

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.chempr.2021.05.013

Effect of energy bandgap and sacrificial agents of cyclopentadithiophene-based polymers for enhanced photocatalytic hydrogen evolution

Lin, Wei-Cheng ; Jayakumar, Jayachandran ; Chang, Chih-Li ; Ting, Li-Yu ; Elsayed, Mohamed Hammad ; Abdellah, Mohamed ; Zheng, Kaibo ; Elewa, Ahmed M. ; Lin, Yu-Tung ; Liu, Jia-Jen ; Wang, Wen-Shin ; Lu, Chia-Yeh ; Chou, Ho-Hsiu
in: Applied Catalysis B: Environmental, vol: 298

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.apcatb.2021.120577

Efficient Open-Source Implementations of Linear-Scaling Polarizable Embedding: Use Octrees to Save the Trees

Scheurer, Maximilian ; Reinholdt, Peter ; Olsen, Jógvan Magnus Haugaard ; Dreuw, Andreas ; Kongsted, Jacob
in: Journal of Chemical Theory and Computation, vol: 17, issue: 6, pages: 3445-3454

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.jctc.1c00225

Efficient valorization of biomass-derived furfural to fuel bio-additive over aluminum phosphate

Fang, Wenting ; Riisager, Anders
in: Applied Catalysis B: Environmental, vol: 298

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.apcatb.2021.120575

Electrochemically Induced Phase Transition in V₃ O₇·H₂O Nanobelts/Reduced Graphene Oxide Composites for Aqueous Zinc-Ion Batteries

Cao, Huili ; Zheng, Zhiyong ; Norby, Poul ; Xiao, Xinxin ; Mossin, Susanne
in: Small, vol: 17, issue: 24

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1002/smll.202100558

Electrochemical studies of redox active molecular and enzyme monolayers on nanostructured electrode surfaces

Yan, Xiaomei

Type: Ph.D. thesis

Status: Published | År: 2021

Electrochemistry of complex molecular and biomolecular scale entities

Engelbrekt, Christian ; Glukhov, Dmitrii ; Li, Yueqi ; Nazmutdinov, Renat R. ; Tang, Jing ; Ulstrup, Jens ; Wang, Zixiao ; Xiao, Xinxin ; Yan, Jiawei ; Yan, Xiaomei ; Zinkicheva, Tamara
in: Current Opinion in Electrochemistry, vol: 26

Type: Review (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.coelec.2020.100670

Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order

Scott, Mikael ; Rehn, Dirk R. ; Coriani, Sonia ; Norman, Patrick ; Dreuw, Andreas
in: Journal of Chemical Physics, vol: 154, issue: 6

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1063/5.0038315

Electrostatics Drive Oligomerization and Aggregation of Human Interferon Alpha-2a

Pohl, Christin ; Polimeni, Marco ; Indrakumar, Sowmya ; Streicher, Werner ; Peters, Günther H. J. ; Nørgaard, Allan ; Lund, Mikael ; Harris, Pernille
in: The Journal of Physical Chemistry B, vol: 125, issue: 50, pages: 13657-13669

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.jpcb.1c07090

Emergent magnetic behavior in the frustrated Yb₃Ga₅O₁₂ garnet

Sandberg, Lise Ørduk ; Edberg, Richard ; Bakke, Ingrid Marie Berg ; Pedersen, Kasper S. ; Hatnean, Monica Ciomaga ; Balakrishnan, Geetha ; Mangin-Thro, Lucile ; Wildes, Andrew ; Fåk, B. ; Ehlers, Georg ; Sala, Gabriele ; Henelius, Patrik ; Lefmann, Kim ; Deen, Pascale P.
in: Physical Review B, vol: 104, issue: 6

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1103/PhysRevB.104.064425

Engineering the substrate binding site of the hyperthermostable archaeal endo-β-1,4-galactanase from Ignisphaera aggregans

Muderspach, Sebastian J. ; Fredslund, Folmer ; Volf, Verena ; Poulsen, Jens-Christian Navarro ; Blicher, Thomas H. ; Clausen, Mads Hartvig ; Rasmussen, Kim Krighaar ; Krogh, Kristian B. R. M. ; Jensen, Kenneth ; Lo Leggio, Leila
in: Biotechnology for Biofuels, vol: 14, issue: 1

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1186/s13068-021-02025-6

Enhanced ¹³C NMR detects extended reaction networks in living cells

Jensen, Pernille Rose ; Sannelli, Francesca ; Stauning, Ludvig Tving ; Meier, Sebastian
in: Chemical Communications, vol: 57, issue: 81, pages: 10572-10575

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1039/d1cc03838a

Enhanced target cell specificity and uptake of lipid nanoparticles using RNA aptamers and peptides

Ray, Roslyn M. ; Hansen, Anders Højgaard ; Taskova, Maria ; Jandl, Bernhard ; Hansen, Jonas ; Soemardy, Citra ; Morris, Kevin V. ; Astakhova, Kira
in: Beilstein Journal of Organic Chemistry, vol: 17, pages: 891-907

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.3762/bjoc.17.75

Enzymatic Bioelectrocatalysis

Lojou, Elisabeth ; Xiao, Xinxin
in: Catalysts, vol: 11, issue: 11

Type: Editorial (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.3390/catal11111373

Excipient for biotherapeutics

Winter, Gerhard (Inventor) ; Tosstorff, Andreas (Inventor) ; Peters, Günther
Patent no.: WO2021009020, Date: 2020-07-10

Type: Patent

Status: Published | År: 2021

Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods

Fedotov, Daniil A ; Paul, Alexander C ; Posocco, Paolo ; Santoro, Fabrizio ; Garavelli, Marco ; Koch, Henrik ; Coriani, Sonia ; Improta, Roberto
in: Journal of Chemical Theory and Computation, vol: 17, issue: 3, pages: 1638–1652

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.jctc.0c01150

Experimental setup for pre-clinical demonstration of tissue sparing with scanning beam proton FLASH

Poulsen, P. ; Sitarz, M. ; Johansen, J. G. ; Kanouta, E. ; Andersen, C. E. ; Ankjaergaard, C. ; Grau, C. ; Sorensen, B. S.
in: Radiotherapy and Oncology, vol: 161, pages: S1537-S1538

Type: Conference abstract in journal (Peer reviewed)

Status: Published | År: 2021

Exploring the Intrinsic Point Defects in Cesium Copper Halides

Lan, Zhenyun ; Meng, Jie ; Zheng, Kaibo ; Castelli, Ivano Eligio
in: Journal of Physical Chemistry C, vol: 125, issue: 2, pages: 1592-1598

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.jpcc.0c11216

Femtochemistry of bimolecular reactions from weakly bound complexes

Voute, Alexandre ; Gatti, Fabien ; Møller, Klaus B. ; Henriksen, Niels E.
in: Physical Chemistry Chemical Physics, vol: 23, issue: 48, pages: 27207-27226

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1039/d1cp04391a

First-Row Transition Metal-Catalyzed Carbon-Carbon Bond Formation

Buendia, Mikkel Burggraaf

Type: Ph.D. thesis

Status: Published | År: 2021

Fragment-based drug discovery for RNA targets

Lundquist, Kasper Plenov ; Panchal, Vipul ; Gotfredsen, Charlotte Held ; Brenk, Ruth ; Clausen, Mads Hartvig
in: ChemMedChem, vol: 16, issue: 17, pages: 2588-2603

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1002/cmdc.202100324

Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals

Liang, Mingli ; Lin, Weihua ; Zhao, Qian ; Zou, Xianshao ; Lan, Zhenyun ; Meng, Jie ; Shi, Qi ; Castelli, Ivano Eligio ; Canton, Sophie E ; Pullerits, Tönu ; Zheng, Kaibo
in: The Journal of Physical Chemistry Letters, vol: 12, issue: 20, pages: 4965-4971

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.jpclett.1c01148

Full NMR assignment, revised structure and biosynthetic analysis for the capsular polysaccharide from Streptococcus Pneumoniae serotype 15F

Li, Chengxin ; Andersen, Kirstine B. ; Elverdal, Pernille L. ; Skovsted, Ian C. ; Duus, Jens Ø. ; Kjeldsen, Christian
in: Carbohydrate Research, vol: 508

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.carres.2021.108418

Generation of maximal three-state field-free molecular orientation with terahertz pulses

Hong, Qian Qian ; Fan, Li Bao ; Shu, Chuan Cun ; Henriksen, Niels E.
in: Physical Review A, vol: 104

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1103/PhysRevA.104.013108

Genetic origin of homopyrones, a rare type of hybrid phenylpropanoid- and polyketide-derived yellow pigments from Aspergillus homomorphus

Futyma, Malgorzata E. ; Guo, Yaojie ; Hoeck, Casper ; Hoof, Jakob B. ; Gotfredsen, Charlotte H. ; Mortensen, Uffe H. ; Larsen, Thomas O.
in: Applied Microbiology and Biotechnology, vol: 105, pages: 5113-5121

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1007/s00253-021-11379-8

Graphitic Carbon Nitride/CdSe Quantum Dot/Iron Carbonyl Cluster Composite for Enhanced Photocatalytic Hydrogen Evolution

Li, Chuanshuai ; Zou, Xianshao ; Lin, Weihua ; Mourad, Hassan ; Meng, Jie ; Liu, Yang ; Abdellah, Mohamed ; Guo, Meiyuan ; Zheng, Kaibo ; Nordlander, Ebbe
in: ACS Applied Nano Materials , vol: 4, issue: 6, pages: 6280-6289

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acsanm.1c01096

Grønne Brændstoffer i Det Blå Danmark

Feilberg, Karen Louise ; Andersen, Simon Ivar ; Madsen, Henrik ; Østergaard, Jacob ; You, Shi ; Frandsen, Henrik Lund ; Jensen, Jens Oluf ; Kibsgaard, Jakob ; Riisager, Anders ; Jensen, Anker Degn ; Ahrenfeldt, Jesper ; Psaraftis, Harilaos N. ; Münster, Marie ; Campion, Nicolas Jean Bernard ; Christiansen Erlandsson, Anders ; Ivarsson, Anders ; Astrup, Thomas Fruergaard ; Pedersen, Jens Olaf Pepke ; Andersen, Ole Baltazar ; Ejsing Jørgensen, Hans ; Dam Schultz, Kasper ; Brückner, Lars ; Nolle, Louise ; Hansen, Mette Sanne ; Odgaard, Mads H

Type: Report

Status: Published | År: 2021

Heterogeneous Base-Catalyzed Conversion of Glycolaldehyde to Aldotetroses

Barsøe, Linette Rønn ; Saravanamurugan, Shunmugavel ; Taarning, Esben ; Espin, Juan Salvador Martinez ; Meier, Sebastian
in: ChemCatChem, vol: 13, issue: 24, pages: 5141-5147

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1002/cctc.202101347

Heterogeneous formic acid production by hydrogenation of CO2 catalyzed by Ir‐bpy embedded in polyphenylene porous organic polymers

Bennedsen, Niklas Rosendal ; Christensen, David Benjamin ; Mortensen, Rasmus Lykke ; Wang, Bolun ; Wang, Ryan ; Kramer, Søren ; Kegnæs, Søren
in: ChemCatChem, vol: 13, issue: 7, pages: 1781-1786

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1002/cctc.202100002

High-pressure phase equilibrium and volumetric properties of pseudo-binary mixtures of stock tank oil + methane up to 463K

Liu, Yiqun ; Regueira, Teresa ; Stenby, Erling Ha. ; Yan, Wei
in: Fluid Phase Equilibria, vol: 541

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.fluid.2021.113054

Homogeneous Catalyzed Valorization of Furanics: A Sustainable Bridge to Fuels and Chemicals

Padilla, Rosa ; Koranchalil, Sakhitha ; Nielsen, Martin
in: Catalysts, vol: 11, issue: 11

Type: Review (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.3390/catal11111371

Hydrazine hydrate reduction-induced oxygen vacancy formation in Co₃O₄ porous nanosheets to optimize the electrochemical lithium storage

Li, Zhipeng ; Qian, Lizhi ; Chen, Jiayuan ; Zhang, Wanxing ; Tian, Wenhuai ; Wan, Yanfen ; Yang, Peng ; Wang, Zhiyuan ; Liu, Yanguo ; Huang, Wei ; Sun, Hongyu
in: Journal of Alloys and Compounds, vol: 861

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1016/j.jallcom.2020.157994

Identification of Inhibitors of Cholesterol Transport Proteins Through the Synthesis of a Diverse, Sterol-Inspired Compound Collection

Whitmarsh-Everiss, Thomas ; Olsen, Asger Hegelund ; Laraia, Luca
in: Angewandte Chemie International Edition, vol: 60, issue: 51, pages: 26755–26761

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1002/anie.202111639

Identification of small molecules that interfere with c-di-GMP signaling and induce dispersal of Pseudomonas aeruginosa biofilms

Andersen, Jens Bo ; Hultqvist, Louise Dahl ; Jansen, Charlotte Uldahl ; Jakobsen, Tim Holm ; Nilsson, Martin ; Rybtke, Morten ; Uhd, Jesper ; Fritz, Blaine Gabriel ; Seifert, Roland ; Berthelsen, Jens ; Nielsen, Thomas Eiland ; Qvortrup, Katrine ; Givskov, Michael ; Tolker-Nielsen, Tim
in: npj Biofilms and Microbiomes, vol: 7, issue: 1

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1038/s41522-021-00225-4

Impact of Alginate Mannuronic-Guluronic Acid Contents and pH on Protein Binding Capacity and Complex Size

Madsen, Mikkel ; Westh, Peter ; Khan, Sanaullah ; Ipsen, Richard ; Almdal, Kristoffer ; Aachmann, Finn L ; Svensson, Birte
in: Biomacromolecules, vol: 22, issue: 2, pages: 649-660

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acs.biomac.0c01485

Implementing an intermittent spin-coating strategy to enable bottom-up crystallization in layered halide perovskites

Yan, Yajie ; Yang, Yingguo ; Liang, Mingli ; Abdellah, Mohamed ; Pullerits, Tõnu ; Zheng, Kaibo ; Liang, Ziqi
in: Nature Communications, vol: 12

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1038/s41467-021-26753-3

Initiation and Progression of Anisotropic Galvanic Replacement Reactions in a Single Ag Nanowire

Canepa, Silvia ; Yesibolati, Murat Nulati ; Schiøtz, Jakob ; Kadkhodazadeh, Shima ; Huang, Wei ; Sun, Hongyu ; Mølhave, Kristian
in: ACS Applied Nano Materials , vol: 4, issue: 11, pages: 12346–12355

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acsanm.1c02820

In Memoriam: Prof. Jingdong Zhang

Engelbrekt, Christian ; Mao, Bingwei ; Ulstrup, Jens ; Xiao, Xinxin
in: ChemElectroChem, vol: 8, issue: 1, pages: 257-259

Type: Editorial

Status: Published | År: 2021 | DOI: https://doi.org/10.1002/celc.202100023

Inner-shell photoabsorption and photoionisation cross-sections of valence excited states from asymmetric-Lanczos equation-of-motion coupled cluster singles and doubles theory

Moitra, Torsha ; Coriani, Sonia ; Cabral Tenorio, Bruno Nunes
in: Molecular Physics, vol: 119, issue: 21-22

Type: Journal article (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1080/00268976.2021.1980235

Insights into Ammonia Borane-Enabled Green Synthesis of N-Substituted Lactams from Biomass-Derived Keto Acids and Amines

Zhao, Wenfeng ; Meier, Sebastian ; Yang, Song ; Riisager, Anders
in: ACS Sustainable Chemistry and Engineering, vol: 9, issue: 12, pages: 4377–4382

Type: Letter (Peer reviewed)

Status: Published | År: 2021 | DOI: https://doi.org/10.1021/acssuschemeng.1c00211

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