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Publikationer

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Dhilon S. Patel, Robert Pendrill, Sairam S. Mallajosyula, et al. Conformational Properties of alpha- or beta-(1 -> 6)-Linked Oligosaccharides : Hamiltonian Replica Exchange MD Simulations and NMR Experiments
Journal of Physical Chemistry B
2014
Biswanath Das, Henrik Daver, Monika Pyrkosz-Bulska, et al. A dinuclear zinc(II) complex of a new unsymmetric ligand with an N(5)0(2) donor set; A structural and functional model for the active site of zinc phosphoesterases
Journal of Inorganic Biochemistry
2014
Oscar Verho, Anuja Nagendiran, Cheuk-Wai Tai, et al. Nanopalladium on Amino-Functionalized Mesocellular Foam as an Efficient and Recyclable Catalyst for the Selective Transfer Hydrogenation of Nitroarenes to Anilines
ChemCatChem
2014
Robert Pendrill, Lars Eriksson, Göran Widmalm Methyl 4-O-benzyl-alpha-l-rhamno-pyrano-side
Acta Crystallographica Section E: Structure Reports Online
2014
Antonio Bermejo Gómez, Nanna Ahlsten, Ana E. Platero-Prats, et al. Synthesis of 4,5-disubstituted 2-aminothiazoles from a,b-unsaturated ketones : Preparation of 5-benzyl-4-methyl-2-aminothiazolium hydrochloride salt
Organic Syntheses
2014
Chicco Manzuna Sapu, Tamás Görbe, Richard Lihammar, et al. Migratory Dynamic Kinetic Resolution of Carbocyclic Allylic Alcohols
Organic Letters
2014
Arnold Maliniak, Göran Widmalm Structural Analysis of Carbohydrates by Nuclear Magnetic Resonance Spectroscopy and Molecular Simulations : Application to Human Milk Oligosaccharides 2014
Maria E. S. Lind, Fahmi Himo Theoretical Study of Reaction Mechanism and Stereoselectivity of Arylmalonate Decarboxylase
ACS Catalysis
2014
Maoping Pu, Timofei Privalov Ab Initio Molecular Dynamics Study of Hydrogen Cleavage by a Lewis Base [tBu(3)P] and a Lewis Acid [B(C6F5)(3)] at the Mesoscopic Level-Dynamics in the Solute-Solvent Molecular Clusters
ChemPhysChem
2014
Oscar Verho, Feifei Gao, Eric V. Johnston, et al. Mesoporous silica nanoparticles applied as a support for Pd and Au nanocatalysts in cycloisomerization reactions
APL materials
2014
Tove Slagbrand, Helena Lundberg, Hans Adolfsson Ruthenium-Catalyzed Tandem-Isomerization/Asymmetric Transfer Hydrogenation of Allylic Alcohols
Chemistry - A European Journal
2014
Markus D. Kärkäs, Oscar Verho, Eric V. Johnston, et al. Artificial Photosynthesis : Molecular Systems for Catalytic Water Oxidation
Chemical Reviews
2014
Anna Wojcik, Ewa Broclawik, Per E. M. Siegbahn, et al. Role of Substrate Positioning in the Catalytic Reaction of 4-Hydroxyphenylpyruvate Dioxygenase-A QM/MM Study
Journal of the American Chemical Society
2014
Vittorio Pace, Wolfgang Holzer, Berit Olofsson Increasing the Reactivity of Amides towards Organometallic Reagents : An Overview
Advanced Synthesis and Catalysis
2014
Stefano Santoro, Luca Deiana, Gui-Ling Zhao, et al. Mechanism of Palladium/Amine Cocatalyzed Carbocyclization of Aldehydes with Alkynes and Its Merging with Pd Oxidase Catalysis
ACS Catalysis
2014
Ana Zovko, Kristina Viktorsson, Petra Haag, et al. Marine Sponge Cribrochalina vasculum Compounds Activate Intrinsic Apoptotic Signaling and Inhibit Growth Factor Signaling Cascades in Non-Small Cell Lung Carcinoma
Molecular Cancer Therapeutics
2014
Richard Lihammar, Jerk Rönnols, Göran Widmalm, et al. Epimerization of Glycal Derivatives by a Cyclopentadienylruthenium Catalyst : Application to Metalloenzymatic DYKAT
Chemistry - A European Journal
2014
Alexey Volkov, Fredrik Tinnis, Tove Slagbrand, et al. Mo(CO)6 catalysed chemoselective hydrosilylation of alpha,beta-unsaturated amides for the formation of allylamines
Chemical Communications
2014
Oscar Verho, Karl P. J. Gustafson, Anuja Nagendiran, et al. Mild and Selective Hydrogenation of Nitro Compounds using Palladium Nanoparticles Supported on Amino-Functionalized Mesocellular Foam
ChemCatChem
2014
Maoping Pu, Timofei Privalov How Frustrated Lewis Acid/Base Systems Pass through Transition-State Regions : H-2 Cleavage by [tBu(3)P/B(C6F5)(3)]
ChemPhysChem
2014
Oleksandr O. Kovalenko, Helena Lundberg, Dennis Huebner, et al. Tandem alpha-Alkylation/Asymmetric Transfer Hydrogenation of Acetophenones with Primary Alcohols
European Journal of Organic Chemistry
2014
Nadia Ilchenko Development of Catalytic ElectrophilicTrifluoromethylation and Fluorination Methods 2014
Jerk Rönnols, Sophie Manner, Ulf Ellervik, et al. Conformational effects due to stereochemistry and C3-substituents in xylopyranoside derivatives as studied by NMR spectroscopy
Organic and biomolecular chemistry
2014
Mo Chen, Robert Pendrill, Göran Widmalm, et al. Molecular Dynamics Simulations of the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Chloride and Its Binary Mixtures with Ethanol
Journal of Chemical Theory and Computation
2014
Winnie W. Y. Chow, Stanislav Herwik, Sebastian Kisban, et al. Influence of bio-coatings on the recording performance of neural electrodes
Biomedizinische Technik (Berlin. Zeitschrift)
2014
Antonio Bermejo Gómez, Pär Holmberg, Jan-Erling Bäckvall, et al. Transition metal-catalyzed redox isomerization of codeine and morphine in water
RSC Advances
2014
Maoping Pu Dynamical Analysis of Chemical Activity of Sterically Encumbered Lewis acid/base Pairs 2014
Nicolas Gigant, Jan-Erling Bäckvall Aerobic Direct C-H Arylation of Nonbiased Olefins
Organic Letters
2014
Stefano Santoro, Juliano B. Azeredo, Vanessa Nascimento, et al. The green side of the moon : ecofriendly aspects of organoselenium chemistry
RSC Advances
2014
Richa Jakhetia, Aruna Marri, Jonas Ståhle, et al. Serotype-conversion in Shigella flexneri : identification of a novel bacteriophage, Sf101, from a serotype 7a strain
BMC Genomics
2014
Anna Siegbahn, Sophie Manner, Andrea Persson, et al. Rules for priming and inhibition of glycosaminoglycan biosynthesis; probing the beta 4GalT7 active site
Chemical Science
2014
Andrei V. Malkov, Darren S. Lee, Maciej Barlog, et al. Palladium-Catalyzed Stereoselective Intramolecular Oxidative Amidation of Alkenes in the Synthesis of 1,3-and 1,4-Amino Alcohols and 1,3-Diamines
Chemistry - A European Journal
2014
Per E. M. Siegbahn Water oxidation energy diagrams for photosystem II for different protonation states, and the effect of removing calcium
Physical Chemistry, Chemical Physics - PCCP
2014
Nicolas Gigant, Jan-Erling Bäckvall Aerobic Double Dehydrogenative Cross Coupling between Cyclic Saturated Ketones and Simple Arenes
Chemistry - A European Journal
2014
Biswanath Das, Henrik Daver, Amrendra Singh, et al. A Heterobimetallic FeIIIMnII Complex of an Unsymmetrical Dinucleating Ligand : A Structural and Functional Model Complex for the Active Site of Purple Acid Phosphatase of Sweet Potato
European Journal of Inorganic Chemistry
2014
Rauful Alam, Arindam Das, Genping Huang, et al. Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines
Chemical Science
2014
Shi-Lu Chen, Margareta R. A. Blomberg, Per E. M. Siegbahn An investigation of possible competing mechanisms for Ni-containing methyl-coenzyme M reductase
Physical Chemistry, Chemical Physics - PCCP
2014
Margareta R. A. Blomberg, Per E. M. Siegbahn Proton pumping in cytochrome c oxidase : Energetic requirements and the role of two proton channels
Biochimica et Biophysica Acta - Bioenergetics
2014
Mattias Anderson, Samson Afewerki, Per Berglund, et al. Total Synthesis of Capsaicin Analogues from Lignin-Derived Compounds by Combined Heterogeneous Metal, Organocatalytic and Enzymatic Cascades in One Pot
Advanced Synthesis and Catalysis
2014
Mikael Nordin Computational Studies of Transition Metal-Catalyzed Asymmetric Transfer Hydrogenation Reactions 2014
Chandra M. R. Volla, Javier Mazuela, Jan-Erling Bäckvall Palladium-Catalyzed Oxidative Carbocyclization-Carbonylation of Allenynes and Enallenes
Chemistry - A European Journal
2014
Rong-Zhen Liao, Xi-Chen Li, Per E. M. Siegbahn Reaction Mechanism of Water Oxidation Catalyzed by Iron Tetraamido Macrocyclic Ligand Complexes - A DFT Study
European Journal of Inorganic Chemistry
2014
Wael A. A. Arafa, Markus D. Kärkäs, Bao-Lin Lee, et al. Dinuclear manganese complexes for water oxidation : evaluation of electronic effects and catalytic activity
Physical Chemistry, Chemical Physics - PCCP
2014
Tony S. N. Zhao, Yuzhu Yang, Timo Lessing, et al. Borylation of Propargylic Substrates by Bimetallic Catalysis. Synthesis of Allenyl, Propargylic, and Butadienyl Bpin Derivatives
Journal of the American Chemical Society
2014
Luca Deiana, Lorenza Ghisu, Oscar Cordova, et al. Efficient and Highly Enantioselective Aerobic Oxidation-Michael-Carbocyclization Cascade Transformations by Integrated Pd(0)-CPG Nanoparticle/Chiral Amine Relay Catalysis
Synthesis (Stuttgart)
2014
Emilia L. Wu, Patrick J. Fleming, Min Sun Yeom, et al. E. coil Outer Membrane and Interactions with OmpLA
Biophysical Journal
2014
Karl P. J. Gustafson, Richard Lihammar, Oscar Verho, et al. Chemoenzymatic Dynamic Kinetic Resolution of Primary Amines Using a Recyclable Palladium Nanoparticle Catalyst Together with Lipases
Journal of Organic Chemistry
2014
Maoping Pu, Timofei Privalov Uncovering the Role of Intra- and Intermolecular Motion in Frustrated Lewis Acid/Base Chemistry : Ab Initio Molecular Dynamics Study of CO2 Binding by Phosphorus/Boron Frustrated Lewis Pair [tBu(3)P/B(C6F5)(3)]
Inorganic Chemistry
2014
Maria Kadow, Kathleen Balke, Andrew Willetts, et al. Functional assembly of camphor converting two-component Baeyer-Villiger monooxygenases with a flavin reductase from E-coli
Applied Microbiology and Biotechnology
2014
Emma Bratt, Oscar Verho, Magnus J. Johansson, et al. A General Suzuki Cross-Coupling Reaction of Heteroaromatics Catalyzed by Nanopalladium on Amino-Functionalized Siliceous Mesocellular Foam
Journal of Organic Chemistry
2014
Carolina Fontana, Magnus Lundborg, Andrej Weintraub, et al. Rapid structural elucidation of polysaccharides employing predicted functions of glycosyltransferases and NMR data : Application to the O-antigen of Escherichia coli O59
Glycobiology
2014
Santosh Agrawal, Elisa Martinez-Castro, Rocio Marcos, et al. Readily Available Ruthenium Complex for Efficient Dynamic Kinetic Resolution of Aromatic alpha-Hydroxy Ketones
Organic Letters
2014
Margareta R. A. Blomberg, Tomasz Borowski, Fahmi Himo, et al. Quantum Chemical Studies of Mechanisms for Metalloenzymes
Chemical Reviews
2014
Andrei V. Malkov, Nolwenn Derrien, Maciej Barlog, et al. Palladium-Catalyzed Alkoxycarbonylation of Terminal Alkenes To Produce alpha, beta-Unsaturated Esters : The Key Role of Acetonitrile as a Ligand
Chemistry - A European Journal
2014
Rauful Alam Palladium-catalyzed Allylic C-H and C-OH Functionalization. Reactions of the Obtained Allylboronic Acids 2014
Shi-Lu Chen, Rong-Zhen Liao Phosphate Monoester Hydrolysis by Trinuclear Alkaline Phosphatase; DFT Study of Transition States and Reaction Mechanism
ChemPhysChem
2014
Karim Engelmark Cassimjee, Maria Kadow, Ylva Wikmark, et al. A general protein purification and immobilization method on controlled porosity glass : biocatalytic applications
Chemical Communications
2014
Bianca Manta Quantum Chemical Studies of Enzymatic Reaction Mechanisms : Investigations of Cytosine Deaminase and ω-Transaminase 2014
Hong-Ping Deng, Lars Eriksson, Kálmán J. Szabó Allylic sp (3) C-H borylation of alkenes via allyl-Pd intermediates : an efficient route to allylboronates
Chemical Communications
2014
Arindam Das, Rauful Alam, Lars Eriksson, et al. Stereocontrol in Synthesis of Homoallylic Amines. Syn Selective Direct Allylation of Hydrazones with Allylboronic Acids
Organic Letters
2014
Chandra M. R. Volla, Jan-Erling Bäckvall Palladium-Catalyzed Oxidative Domino Carbocyclization- Carbonylation-Alkynylation of Enallenes
Organic Letters
2014
Antonio Bermejo Gomez, Elis Erbing, Maria Batuecas, et al. Iridium-Catalyzed Isomerization/Bromination of Allylic Alcohols : Synthesis of alpha-Bromocarbonyl Compounds
Chemistry - A European Journal
2014
Teresa Bartholomeyzik, Javier Mazuela, Robert Pendrill, et al. Palladium-Catalyzed Oxidative Arylating Carbocyclization of Allenynes : Control of Selectivity and Role of H2O
Angewandte Chemie International Edition
2014
Anirban Karmakar, Clive L. Oliver, Ana E. Platero-Prats, et al. Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids
CrystEngComm
2014
Luca Deiana, Lorenza Ghisu, Samson Afewerki, et al. Enantioselective Heterogeneous Synergistic Catalysis for Asymmetric Cascade Transformations
Advanced Synthesis and Catalysis
2014
Joel Malmgren, Anuja Nagendiran, Cheuk-Wai Tai, et al. C-2 Selective Arylation of Indoles with Heterogeneous Nanopalladium and Diaryliodonium Salts
Chemistry - A European Journal
2014
Nicolas Gigant, Jan-Erling Bäckvall Access to Cinnamyl Derivatives from Arenes and Allyl Esters by a Biomimetic Aerobic Oxidative Dehydrogenative Coupling
Organic Letters
2014
Raju Ghosh, Berit Olofsson Metal-Free Synthesis of N-Aryloxyimides and Aryloxyamines
Organic Letters
2014
Luca Deiana, Yan Jiang, Carlos Palo-Nieto, et al. Combined Heterogeneous Metal/Chiral Amine : Multiple Relay Catalysis for Versatile Eco-Friendly Synthesis
Angewandte Chemie International Edition
2014
Tony S. N. Zhao Copper and Palladium-Mediated Transformationsof Allylic and Propargylic Substrates 2014
Santosh Kumar Alamsetti, Andreas K. A. Persson, Jan-Erling Bäckvall Palladium-Catalyzed Intramolecular Hydroamination of Propargylic Carbamates and Carbamothioates
Organic Letters
2014
Helena Lundberg, Fredrik Tinnis, Nicklas Selander, et al. Catalytic amide formation from non-activated carboxylic acids and amines
Chemical Society Reviews
2014
Robert Pendrill, Ole W. Sørensen, Göran Widmalm Suppressing one-bond homonuclear 13C,13C scalar couplings in the J-HMBC NMR experiment : application to 13C site-specifically labeled oligosaccharides
Magnetic Resonance in Chemistry
2014
Per E. M. Siegbahn, Margareta R. A. Blomberg Mutations in the D-channel of cytochrome c oxidase causes leakage of the proton pump
FEBS Letters
2014
J. Johan Verendel, Oscar Pamies, Montserrat Dieguez, et al. Asymmetric Hydrogenation of Olefins Using Chiral Crabtree-type Catalysts : Scope and Limitations
Chemical Reviews
2014
Alexey Volkov, Fredrik Tinnis, Hans Adolfsson Catalytic Reductive Dehydration of Tertiary Amides to Enamines under Hydrosilylation Conditions
Organic Letters
2014
Anuja Nagendiran, Oscar Verho, Clemence Haller, et al. Cycloisomerization of Acetylenic Acids to gamma-Alkylidene Lactones using a Palladium(II) Catalyst Supported on Amino-Functionalized Siliceous Mesocellular Foam
Journal of Organic Chemistry
2014
Fredrik Tinnis, Oscar Verho, Karl P. J. Gustafson, et al. Efficient Palladium-Catalyzed Aminocarbonylation of Aryl Iodides Using Palladium Nanoparticles Dispersed on Siliceous Mesocellular Foam
Chemistry - A European Journal
2014
P. Both, A. P. Green, C. J. Gray, et al. Discrimination of epimeric glycans and glycopeptides using IM-MS and its potential for carbohydrate sequencing
Nature Chemistry
2014
Xu Quan, Vijay Singh Parihar, Milan Bera, et al. Iridium Catalysts with Chiral Bicyclic Pyridine-Phosphane Ligands for the Asymmetric Hydrogenation of Olefins
European Journal of Organic Chemistry
2014
Per E. M. Siegbahn, Margareta R. A. Blomberg Energy Diagrams for Water Oxidation in Photosystem II Using Different Density Functionals
Journal of Chemical Theory and Computation
2014
Markus D. Kärkäs, Eric V. Johnston, Oscar Verho, et al. Artificial Photosynthesis : Photosynthesis: From Nanosecond Electron Transfer to Catalytic Water Oxidation
Accounts of Chemical Research
2014
Andres G. Algarra, Gabriel Aullon, Paul V. Bemhardt, et al. Computational Insights on the Geometrical Arrangements of Cu(II) with a Mixed-Donor N3S3 Macrobicyclic Ligand
Inorganic Chemistry
2014
Maoping Pu, Timofei Privalov Multiple-Pathways of Carbon Dioxide Binding by a Lewis Acid [B(C6F5)(3)] and a Lewis Base [P(tBu)(3)] : The Energy Landscape Perspective
International Journal of Quantum Chemistry
2014
Vlad Pascanu Supported Palladium Nanoparticles for Sustainable Cross-Coupling and Oxidation Reactions 2014
Carolina Fontana, Helena Kovacs, Göran Widmalm NMR structure analysis of uniformly 13C-labeled carbohydrates
Journal of Biomolecular NMR
2014
Erik A. Karlsson, Bao-Lin Lee, Rong-Zhen Liao, et al. Synthesis and Electron-Transfer Processes in a New Family of Ligands for Coupled Ru-Mn2 Complexes
ChemPlusChem
2014
Carl Mensch, Robert Pendrill, Göran Widmalm, et al. Studying the Glycan Moiety of RNase B by Means of Raman and Raman Optical Activity
ChemPhysChem
2014
Christoffer Hamark, Jens Landström, Göran Widmalm SEAL by NMR : Glyco-Based Selenium-Labeled Affinity Ligands Detected by NMR Spectroscopy
Chemistry - A European Journal
2014
Nadia O. Ilchenko, Boris O. A. Tasch, Kálmán J. Szabó Mild Silver-Mediated Geminal Difluorination of Styrenes Using an Air- and Moisture-Stable Fluoroiodane Reagent
Angewandte Chemie International Edition
2014
Liying Jiang, Pawel Dziedzic, Zdenek Spacil, et al. Abiotic synthesis of amino acids and self-crystallization under prebiotic conditions
Scientific Reports
2014
Belén Martín-Matute, Kálmán J. Szabó, Terence N. Mitchell 6. Organotin Reagents in Cross-Coupling Reactions, 1 2014
M. J. Bouma, Berit Olofsson 7.07 α-Oxygenation of Carbonyl Compounds, 2nd 2014
Teresa Bartholomeyzik Palladium(II)-Catalyzed Oxidative Carbocyclization/Functionalization of Allenynes 2014
Richard Lihammar Enzyme- and Transition Metal-Catalyzed Asymmetric Transformations : Application of Enzymatic (D)KR in Enantioselective Synthesis 2014
Joel Malmgren Iodonium Salts : Preparation, Chemoselectivity and Metal-Catalyzed Applications 2014
Pär Janson Oxidative Trifluoromethylation and other Functionalization Reactions of Alkenes and Alkynes 2014
Fredrik Tinnis Catalytic Formation of Amides 2014
Marcin Bielawski, Joel Malmgren, Leticia M. Pardo, et al. One-Pot Synthesis and Applications of N-Heteroaryl Iodonium Salts
ChemistryOpen
2014
Byron K. Peters, Taigang Zhou, Janjira Rujirawanich, et al. An Enantioselective Approach to the Preparation of Chiral Sulfones by Ir-Catalyzed Asymmetric Hydrogenation
Journal of the American Chemical Society
2014
Jianguo Liu Asymmetric hydrogenation of allylic alcoholsusing iridium catalysts 2014
Tuo Jiang Palladium(II)-Catalyzed Oxidative Carbocyclization : Stereoselective Formation of C–C and C–B Bonds 2014
Raju Ghosh, Erik Lindstedt, Nazli Jalalian, et al. Room Temperature, Metal-Free Arylation of Aliphatic Alcohols
ChemistryOpen
2014
Bianca Manta, Frank M. Raushel, Fahmi Himo Reaction Mechanism of Zinc-Dependent Cytosine Deaminase from Escherichia coli : A Quantum-Chemical Study
Journal of Physical Chemistry B
2014
Raju Ghosh, Elin Stridfeldt, Berit Olofsson Metal-Free One-Pot Synthesis of Benzofurans
Chemistry - A European Journal
2014
Bin Yang, Richard Lihammar, Jan-Erling Bäckvall Investigation of the Impact of Water on the Enantioselectivity Displayed by CALB in the Kinetic Resolution of δ-Functionalized Alkan-2-ol Derivatives
Chemistry - A European Journal
2014

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