Publikationer inom organisk kemi
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N,2,6-Trisubstituted 1H-benzimidazole derivatives as a new scaffold of antimicrobial and anticancer agents: design, synthesis, in vitro evaluation, and in silico studies
Ingår i RSC Advances, s. 399-420, 2023.
DOI för N,2,6-Trisubstituted 1H-benzimidazole derivatives as a new scaffold of antimicrobial and anticancer agents: design, synthesis, in vitro evaluation, and in silico studies Ladda ner fulltext (pdf) av N,2,6-Trisubstituted 1H-benzimidazole derivatives as a new scaffold of antimicrobial and anticancer agents: design, synthesis, in vitro evaluation, and in silico studies
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A Guide to Low-Valent Titanocene Complexes as Tunable Single-Electron Transfer Catalysts for Applications in Organic Chemistry
Ingår i ChemCatChem, 2022.
DOI för A Guide to Low-Valent Titanocene Complexes as Tunable Single-Electron Transfer Catalysts for Applications in Organic Chemistry Ladda ner fulltext (pdf) av A Guide to Low-Valent Titanocene Complexes as Tunable Single-Electron Transfer Catalysts for Applications in Organic Chemistry
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A new β-hydroxydihydrochalcone from Tephrosia uniflora, and the revision of three β-hydroxydihydrochalcones to flavanones
Ingår i Fitoterapia, 2022.
DOI för A new β-hydroxydihydrochalcone from Tephrosia uniflora, and the revision of three β-hydroxydihydrochalcones to flavanones Ladda ner fulltext (pdf) av A new β-hydroxydihydrochalcone from Tephrosia uniflora, and the revision of three β-hydroxydihydrochalcones to flavanones
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Catalytic Asymmetric β‐Oxygen Elimination
Ingår i Angewandte Chemie International Edition, 2022.
DOI för Catalytic Asymmetric β‐Oxygen Elimination Ladda ner fulltext (pdf) av Catalytic Asymmetric β‐Oxygen Elimination
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Palica, Katarzyna
Development of phosphorus-containing metallo-β-lactamase inhibitors: Synthesis and binding studies by solution NMR and molecular docking
2022.
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Umereweneza, Daniel
Discovery of Secondary Metabolites from Rwandese Medicinal Plants: Isolation, Characterization and Biological Activity
2022.
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Dual Functional High Donor Electrolytes for Lithium-Sulfur Batteries under Lithium Nitrate Free and Lean Electrolyte Conditions
Ingår i ACS Energy Letters, s. 2459-2468, 2022.
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Halogen Bond Activation in Gold Catalysis
Ingår i ACS Catalysis, s. 7210-7220, 2022.
DOI för Halogen Bond Activation in Gold Catalysis Ladda ner fulltext (pdf) av Halogen Bond Activation in Gold Catalysis
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Halogen-bonded halogen(I) ion complexes
Ingår i Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2022.
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Ergun Dönmez, Merve
Hydroarylation of Fullerene C60 Using Arylboronic Acids via Rhodium Catalysis: Improving the Outcomes and Simplifying the Conditions
2022.
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Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction
Ingår i Journal of Medicinal Chemistry, s. 3473-3517, 2022.
DOI för Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction Ladda ner fulltext (pdf) av Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction
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Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor
Ingår i Annals of the Rheumatic Diseases, s. 480-489, 2022.
DOI för Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor Ladda ner fulltext (pdf) av Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor
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Linker-Dependent Folding Rationalizes PROTAC Cell Permeability br
Ingår i Journal of Medicinal Chemistry, s. 13029-13040, 2022.
DOI för Linker-Dependent Folding Rationalizes PROTAC Cell Permeability br Ladda ner fulltext (pdf) av Linker-Dependent Folding Rationalizes PROTAC Cell Permeability br
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Posada Urrutia, Mauricio
Live long and phosphor: synthesis of new 2,1,3-benzothiadiazole based scaffolds and novel organo-Au(I) luminophores
2022.
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Modified ent-Abietane Diterpenoids from the Leaves of Suregada zanzibariensis
Ingår i Journal of Natural Products, s. 2135-2141, 2022.
DOI för Modified ent-Abietane Diterpenoids from the Leaves of Suregada zanzibariensis Ladda ner fulltext (pdf) av Modified ent-Abietane Diterpenoids from the Leaves of Suregada zanzibariensis
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NMR Backbone Assignment of VIM-2 and Identification of the Active Enantiomer of a Potential Inhibitor
Ingår i ACS Medicinal Chemistry Letters, s. 257-261, 2022.
DOI för NMR Backbone Assignment of VIM-2 and Identification of the Active Enantiomer of a Potential Inhibitor Ladda ner fulltext (pdf) av NMR Backbone Assignment of VIM-2 and Identification of the Active Enantiomer of a Potential Inhibitor
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Photophysical characterization and fluorescence cell imaging applications of 4-N-substituted benzothiadiazoles
Ingår i RSC Advances, s. 14544-14550, 2022.
DOI för Photophysical characterization and fluorescence cell imaging applications of 4-N-substituted benzothiadiazoles Ladda ner fulltext (pdf) av Photophysical characterization and fluorescence cell imaging applications of 4-N-substituted benzothiadiazoles
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PROTAC cell permeability and oral bioavailability: a journey into uncharted territory
Ingår i Future Medicinal Chemistry, s. 123-126, 2022.
DOI för PROTAC cell permeability and oral bioavailability: a journey into uncharted territory
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Regularized CASPT2: an Intruder-State-Free Approach
Ingår i Journal of Chemical Theory and Computation, s. 4814-4825, 2022.
DOI för Regularized CASPT2: an Intruder-State-Free Approach Ladda ner fulltext (pdf) av Regularized CASPT2: an Intruder-State-Free Approach
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Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanes
Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 1638-1653, 2022.
DOI för Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanes Ladda ner fulltext (pdf) av Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanes
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Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage
Ingår i Chemical Science, s. 834-841, 2022.
DOI för Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage Ladda ner fulltext (pdf) av Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage
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Synthesis of a Series of Novel 2-Amino-5-substituted 1,3,4-oxadiazole and 1,3,4-thiadiazole Derivatives as Potential Anticancer, Antifungal and Antibacterial Agents
Ingår i Medicinal chemistry, s. 558-573, 2022.
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Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses
Ingår i Journal of the American Chemical Society, s. 2905-2920, 2022.
DOI för Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses Ladda ner fulltext (pdf) av Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses
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Antibacterial and cytotoxic prenylated dihydrochalcones from Eriosema montanum
Ingår i Fitoterapia (Milano), 2021.
DOI för Antibacterial and cytotoxic prenylated dihydrochalcones from Eriosema montanum Ladda ner fulltext (pdf) av Antibacterial and cytotoxic prenylated dihydrochalcones from Eriosema montanum
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Are bis(pyridine)iodine(i) complexes applicable for asymmetric halogenation?
Ingår i Organic and biomolecular chemistry, s. 8307-8323, 2021.
DOI för Are bis(pyridine)iodine(i) complexes applicable for asymmetric halogenation? Ladda ner fulltext (pdf) av Are bis(pyridine)iodine(i) complexes applicable for asymmetric halogenation?
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Assessing the Intrinsic Strengths of Ion-Solvent and Solvent-Solvent Interactions for Hydrated Mg2+ Clusters
Ingår i INORGANICS, 2021.
DOI för Assessing the Intrinsic Strengths of Ion-Solvent and Solvent-Solvent Interactions for Hydrated Mg2+ Clusters Ladda ner fulltext (pdf) av Assessing the Intrinsic Strengths of Ion-Solvent and Solvent-Solvent Interactions for Hydrated Mg2+ Clusters
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Biflavanones, Chalconoids, and Flavonoid Analogues from the Stem Bark of Ochna holstii
Ingår i Journal of Natural Products, s. 364-372, 2021.
DOI för Biflavanones, Chalconoids, and Flavonoid Analogues from the Stem Bark of Ochna holstii Ladda ner fulltext (pdf) av Biflavanones, Chalconoids, and Flavonoid Analogues from the Stem Bark of Ochna holstii
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Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies
Ingår i ACS Medicinal Chemistry Letters, s. 983-990, 2021.
DOI för Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies Ladda ner fulltext (pdf) av Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies
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Delayed treatment with the immunotherapeutic LNFPIII ameliorates multiple neurological deficits in a pesticide-nerve agent prophylactic mouse model of Gulf War Illness
Ingår i Neurotoxicology and Teratology, 2021.
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Begnini, Fabio
Discovery of Novel Macrocyclic Ligands for Difficult Targets: Applications to Natural Product Derived Keap1 Inhibitors
2021.
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Employing complementary spectroscopies to study the conformations of an epimeric pair of side-chain stapled peptides in aqueous solution
Ingår i RSC Advances, s. 4200-4208, 2021.
DOI för Employing complementary spectroscopies to study the conformations of an epimeric pair of side-chain stapled peptides in aqueous solution Ladda ner fulltext (pdf) av Employing complementary spectroscopies to study the conformations of an epimeric pair of side-chain stapled peptides in aqueous solution
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Fragment-based design of selective GPCR ligands guided by free energy simulations
Ingår i Chemical Communications, s. 12305-12308, 2021.
DOI för Fragment-based design of selective GPCR ligands guided by free energy simulations Ladda ner fulltext (pdf) av Fragment-based design of selective GPCR ligands guided by free energy simulations
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Halogen Bonding: An Odd Chemistry?
Ingår i The chemical record, s. 1252-1257, 2021.
DOI för Halogen Bonding: An Odd Chemistry? Ladda ner fulltext (pdf) av Halogen Bonding: An Odd Chemistry?
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Halogen Bonding: From Fundamentals to Applications
Ingår i ChemPlusChem, s. 1229-1230, 2021.
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Halogen Bonds of Iodonium Ions: A World Dissimilar to Silver Coordination
Ingår i Bulletin of the Chemical Society of Japan, s. 191-196, 2021.
DOI för Halogen Bonds of Iodonium Ions: A World Dissimilar to Silver Coordination
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Implementation of iMiDEV™, a new fully automated microfluidic platform for radiopharmaceutical production
Ingår i Lab on a Chip, s. 2272-2282, 2021.
DOI för Implementation of iMiDEV™, a new fully automated microfluidic platform for radiopharmaceutical production Ladda ner fulltext (pdf) av Implementation of iMiDEV™, a new fully automated microfluidic platform for radiopharmaceutical production
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Indolylbenzothiadiazoles as highly tunable fluorophores for imaging lipid droplet accumulation in astrocytes and glioblastoma cells
Ingår i RSC Advances, s. 23960-23967, 2021.
DOI för Indolylbenzothiadiazoles as highly tunable fluorophores for imaging lipid droplet accumulation in astrocytes and glioblastoma cells Ladda ner fulltext (pdf) av Indolylbenzothiadiazoles as highly tunable fluorophores for imaging lipid droplet accumulation in astrocytes and glioblastoma cells
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Kinetic Analysis Uncovers Hidden Autocatalysis and Inhibition Pathways in Titanium(III)-Catalyzed Ketone-Nitrile Couplings
Ingår i ACS Catalysis, s. 11451-11458, 2021.
DOI för Kinetic Analysis Uncovers Hidden Autocatalysis and Inhibition Pathways in Titanium(III)-Catalyzed Ketone-Nitrile Couplings Ladda ner fulltext (pdf) av Kinetic Analysis Uncovers Hidden Autocatalysis and Inhibition Pathways in Titanium(III)-Catalyzed Ketone-Nitrile Couplings
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Mechanochemical Solvent-Free Catalytic C-H Methylation
Ingår i Angewandte Chemie International Edition, s. 6660-6666, 2021.
DOI för Mechanochemical Solvent-Free Catalytic C-H Methylation Ladda ner fulltext (pdf) av Mechanochemical Solvent-Free Catalytic C-H Methylation
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Mining Natural Products for Macrocycles to Drug Difficult Targets
Ingår i Journal of Medicinal Chemistry, s. 1054-1072, 2021.
DOI för Mining Natural Products for Macrocycles to Drug Difficult Targets Ladda ner fulltext (pdf) av Mining Natural Products for Macrocycles to Drug Difficult Targets
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Modulating photoswitch performance with halogen, coordinative and hydrogen bonding: a comparison of relative bond strengths
Ingår i Chemical Communications, s. 6261-6263, 2021.
DOI för Modulating photoswitch performance with halogen, coordinative and hydrogen bonding: a comparison of relative bond strengths Ladda ner fulltext (pdf) av Modulating photoswitch performance with halogen, coordinative and hydrogen bonding: a comparison of relative bond strengths
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News ways of understanding the complex biology of diabetes using PET
Ingår i Nuclear Medicine and Biology, s. 65-71, 2021.
DOI för News ways of understanding the complex biology of diabetes using PET
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NMReDATA: Tools and applications
Ingår i Magnetic Resonance in Chemistry, s. 792-803, 2021.
DOI för NMReDATA: Tools and applications Ladda ner fulltext (pdf) av NMReDATA: Tools and applications
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Non-uniform sampling for NOESY?: A case study on spiramycin
Ingår i Magnetic Resonance in Chemistry, s. 723-737, 2021.
DOI för Non-uniform sampling for NOESY?: A case study on spiramycin Ladda ner fulltext (pdf) av Non-uniform sampling for NOESY?: A case study on spiramycin
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On the role of symmetry in XDW-CASPT2
Ingår i Journal of Chemical Physics, 2021.
DOI för On the role of symmetry in XDW-CASPT2 Ladda ner fulltext (pdf) av On the role of symmetry in XDW-CASPT2
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Oxygenated Cyclohexene Derivatives from the Stem and Root Barks of Uvaria pandensis
Ingår i Journal of Natural Products, s. 3080-3089, 2021.
DOI för Oxygenated Cyclohexene Derivatives from the Stem and Root Barks of Uvaria pandensis Ladda ner fulltext (pdf) av Oxygenated Cyclohexene Derivatives from the Stem and Root Barks of Uvaria pandensis
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Photophysical Characteristics of Polarity-Sensitive and Lipid Droplet-Specific Phenylbenzothiadiazoles
Ingår i ChemPhotoChem, s. 632-643, 2021.
DOI för Photophysical Characteristics of Polarity-Sensitive and Lipid Droplet-Specific Phenylbenzothiadiazoles Ladda ner fulltext (pdf) av Photophysical Characteristics of Polarity-Sensitive and Lipid Droplet-Specific Phenylbenzothiadiazoles
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P,N-Chelated Gold(III) Complexes: Structure and Reactivity
Ingår i Journal of the American Chemical Society, 2021.
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Prevalent Bioimaging Scaffolds: Synthesis, Photophysical Properties and Applications
Ingår i European Journal of Organic Chemistry, s. 2133-2144, 2021.
DOI för Prevalent Bioimaging Scaffolds: Synthesis, Photophysical Properties and Applications Ladda ner fulltext (pdf) av Prevalent Bioimaging Scaffolds: Synthesis, Photophysical Properties and Applications
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Probing Halogen Bonds by Scalar Couplings
Ingår i Journal of the American Chemical Society, s. 10695-10699, 2021.
DOI för Probing Halogen Bonds by Scalar Couplings Ladda ner fulltext (pdf) av Probing Halogen Bonds by Scalar Couplings
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Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced Kriging
Ingår i Journal of Chemical Theory and Computation, s. 571-582, 2021.
DOI för Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced Kriging Ladda ner fulltext (pdf) av Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced Kriging
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Solution Conformations Shed Light on PROTAC Cell Permeability
Ingår i ACS Medicinal Chemistry Letters, s. 107-114, 2021.
DOI för Solution Conformations Shed Light on PROTAC Cell Permeability Ladda ner fulltext (pdf) av Solution Conformations Shed Light on PROTAC Cell Permeability
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Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2
Ingår i Journal of Chemical Information and Modeling, s. 2353-2367, 2021.
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Spectroscopy of halogen bonding in solution
Ingår i Halogen Bonding in Solution, s. 153-194, 2021.
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Steering New Drug Discovery Campaigns: Permeability, Solubility, and Physicochemical Properties in the bRo5 Chemical Space
Ingår i ACS Medicinal Chemistry Letters, s. 13-23, 2021.
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Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family
Ingår i eLIFE, 2021.
DOI för Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family Ladda ner fulltext (pdf) av Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family
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Structure-Guided Design of G-Protein-Coupled Receptor Polypharmacology
Ingår i Angewandte Chemie International Edition, s. 18022-18030, 2021.
DOI för Structure-Guided Design of G-Protein-Coupled Receptor Polypharmacology Ladda ner fulltext (pdf) av Structure-Guided Design of G-Protein-Coupled Receptor Polypharmacology
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Sulfur Oxidation Increases the Rate of HIRE-Type [1.4]Thiazepinone Ring Expansion and Influences the Conformation of a Medium-Sized Heterocyclic Scaffold
Ingår i Journal of Organic Chemistry, s. 5778-5791, 2021.
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The development of 11C-carbonylation chemistry: A systematic view
Ingår i Nuclear Medicine and Biology, s. 115-137, 2021.
DOI för The development of 11C-carbonylation chemistry: A systematic view Ladda ner fulltext (pdf) av The development of 11C-carbonylation chemistry: A systematic view
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The Influence of Secondary Interactions on the [N−I−N]+ Halogen Bond
Ingår i Chemistry - A European Journal, s. 13748-13756, 2021.
DOI för The Influence of Secondary Interactions on the [N−I−N]+ Halogen Bond Ladda ner fulltext (pdf) av The Influence of Secondary Interactions on the [N−I−N]+ Halogen Bond
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The three-center halogen bond
Ingår i Halogen Bonding in Solution, s. 121-151, 2021.
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Theranostic Approach in Breast Cancer A Treasured Tailor for Future Oncology
Ingår i Clinical Nuclear Medicine, s. E410-E420, 2021.
DOI för Theranostic Approach in Breast Cancer A Treasured Tailor for Future Oncology
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Toward a Generalized Hückel Rule: The Electronic Structure of Carbon Nanocones
Ingår i Journal of Physical Chemistry A, s. 9819-9825, 2021.
DOI för Toward a Generalized Hückel Rule: The Electronic Structure of Carbon Nanocones Ladda ner fulltext (pdf) av Toward a Generalized Hückel Rule: The Electronic Structure of Carbon Nanocones
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A Meroisoprenoid, Heptenolides, and C-Benzylated Flavonoids from Sphaerocoryne gracilis ssp. gracilis
Ingår i Journal of Natural Products, s. 316-322, 2020.
DOI för A Meroisoprenoid, Heptenolides, and C-Benzylated Flavonoids from Sphaerocoryne gracilis ssp. gracilis Ladda ner fulltext (pdf) av A Meroisoprenoid, Heptenolides, and C-Benzylated Flavonoids from Sphaerocoryne gracilis ssp. gracilis
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An Alternative Approach to the Hydrated Imidazoline Ring Expansion (HIRE) of Diarene-Fused [1.4]Oxazepines
Ingår i European Journal of Organic Chemistry, s. 5664-5676, 2020.
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Antibacterial activity of 2-amino-3-cyanopyridine derivatives
Ingår i Mendeleev communications (Print), s. 498-499, 2020.
DOI för Antibacterial activity of 2-amino-3-cyanopyridine derivatives
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Antiplasmodial, Antimicrobial and Cytotoxic Activities of Extracts from Selected Medicinal Plants Growing in Tanzania
Ingår i Journal of Biologically Active Products from Nature, s. 165-176, 2020.
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Assessing the Beneficial Effects of the Immunomodulatory Glycan LNFPIII on Gut Microbiota and Health in a Mouse Model of Gulf War Illness
Ingår i International Journal of Environmental Research and Public Health, 2020.
DOI för Assessing the Beneficial Effects of the Immunomodulatory Glycan LNFPIII on Gut Microbiota and Health in a Mouse Model of Gulf War Illness Ladda ner fulltext (pdf) av Assessing the Beneficial Effects of the Immunomodulatory Glycan LNFPIII on Gut Microbiota and Health in a Mouse Model of Gulf War Illness
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Asymmetric [N–I–N]+ halonium complexes in solution?
Ingår i Chemical Communications, s. 14431-14434, 2020.
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Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation
Ingår i Journal of Chemical Theory and Computation, s. 2389-2399, 2020.
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Binding and intracellular transport of 25-hydroxycholesterol by Niemann-Pick C2 protein
Ingår i Biochimica et Biophysica Acta - Biomembranes, 2020.
DOI för Binding and intracellular transport of 25-hydroxycholesterol by Niemann-Pick C2 protein
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Binding of 2-(Triazolylthio)acetamides to Metallo-beta-lactamase CcrA Determined with NMR
Ingår i ACS Omega, s. 21570-21578, 2020.
DOI för Binding of 2-(Triazolylthio)acetamides to Metallo-beta-lactamase CcrA Determined with NMR Ladda ner fulltext (pdf) av Binding of 2-(Triazolylthio)acetamides to Metallo-beta-lactamase CcrA Determined with NMR
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Cartilage-binding antibodies initiate joint inflammation and promote chronic erosive arthritis
Ingår i Arthritis Research & Therapy, 2020.
DOI för Cartilage-binding antibodies initiate joint inflammation and promote chronic erosive arthritis Ladda ner fulltext (pdf) av Cartilage-binding antibodies initiate joint inflammation and promote chronic erosive arthritis
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Catalytic Activity of trans-Bis(pyridine)gold Complexes
Ingår i Journal of the American Chemical Society, s. 6439-6446, 2020.
DOI för Catalytic Activity of trans-Bis(pyridine)gold Complexes
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Docking Finds GPCR Ligands in Dark Chemical Matter
Ingår i Journal of Medicinal Chemistry, s. 613-620, 2020.