Publikationer inom organisk kemi

Graphene oxide microstructure control of electrosprayed thin films

Karlsson, Anton; Grennberg, Helena; Johansson, Stefan

Ingår i RSC Advances, s. 781-789, 2023.

DOI för Graphene oxide microstructure control of electrosprayed thin films Ladda ner fulltext (pdf) av Graphene oxide microstructure control of electrosprayed thin films

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

Pham, Em Canh; Thi, Tuong Vi Le; Hong, Huong Ha Ly; Thi, Bich Ngoc Vo et al.

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

A Guide to Low-Valent Titanocene Complexes as Tunable Single-Electron Transfer Catalysts for Applications in Organic Chemistry

Hilche, Tobias; Younas, Sara L.; Gansauer, Andreas; Streuff, Jan

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

A new β-hydroxydihydrochalcone from Tephrosia uniflora, and the revision of three β-hydroxydihydrochalcones to flavanones

Chepkirui, Carolyne; Bourgard, Catarina; Gilissen, Pieter J.; Ndakala, Albert et al.

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

Catalytic Asymmetric β‐Oxygen Elimination

Matt, Christof; Orthaber, Andreas; Streuff, Jan

Ingår i Angewandte Chemie International Edition, 2022.

DOI för Catalytic Asymmetric β‐Oxygen Elimination Ladda ner fulltext (pdf) av Catalytic Asymmetric β‐Oxygen Elimination

Wilcox, Scott

Characterising Weak Interactions in Solution.: An NMR Spectroscopic Approach.

2022.

Ladda ner fulltext (pdf) av Wilcox, Scott

Development of halogen-bonded organic frameworks

Drugge, Johan

2022.

Ladda ner fulltext (pdf) av Development of halogen-bonded organic frameworks

Palica, Katarzyna

Development of phosphorus-containing metallo-β-lactamase inhibitors: Synthesis and binding studies by solution NMR and molecular docking

2022.

Ladda ner fulltext (pdf) av Palica, Katarzyna

Umereweneza, Daniel

Discovery of Secondary Metabolites from Rwandese Medicinal Plants: Isolation, Characterization and Biological Activity

2022.

Ladda ner fulltext (pdf) av Umereweneza, Daniel

Do 2-coordinate iodine(i) and silver(i) complexes form nucleophilic iodonium interactions (NIIs) in solution?

Wilcox, Scott; Sethio, Daniel; Ward, Jas S.; Frontera, Antonio et al.

Ingår i Chemical Communications, s. 4977-4980, 2022.

DOI för Do 2-coordinate iodine(i) and silver(i) complexes form nucleophilic iodonium interactions (NIIs) in solution?

Dual Functional High Donor Electrolytes for Lithium-Sulfur Batteries under Lithium Nitrate Free and Lean Electrolyte Conditions

Elabd, Ahmed; Kim, Jiheon; Sethio, Daniel; Kang, Sangho et al.

Ingår i ACS Energy Letters, s. 2459-2468, 2022.

DOI för Dual Functional High Donor Electrolytes for Lithium-Sulfur Batteries under Lithium Nitrate Free and Lean Electrolyte Conditions

Enhancing preclinical drug discovery with artificial intelligence

Vijayan, R. S. K.; Kihlberg, Jan; Cross, Jason B.; Poongavanam, Vasanthanathan

Ingår i Drug Discovery Today, s. 967-984, 2022.

DOI för Enhancing preclinical drug discovery with artificial intelligence Ladda ner fulltext (pdf) av Enhancing preclinical drug discovery with artificial intelligence

Halogen Bond Activation in Gold Catalysis

Jónsson, Helgi Freyr; Sethio, Daniel; Wolf, Julian; Huber, Stefan M. et al.

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

Halogen-bonded halogen(I) ion complexes

Ward, Jas S.; Truong, Khai-Nghi; Erdélyi, Máté; Rissanen, Kari

Ingår i Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2022.

DOI för Halogen-bonded halogen(I) ion complexes

Ergun Dönmez, Merve

Hydroarylation of Fullerene C₆₀ Using Arylboronic Acids via Rhodium Catalysis: Improving the Outcomes and Simplifying the Conditions

2022.

Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction

Begnini, Fabio; Geschwindner, Stefan; Johansson, Patrik; Wissler, Lisa et al.

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

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

Ge, Changrong; Weisse, Sylvia; Xu, Bingze; Dobritzsch, Doreen et al.

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

Linker-Dependent Folding Rationalizes PROTAC Cell Permeability br

Poongavanam, Vasanthanathan; Atilaw, Yoseph; Siegel, Stephan; Giese, Anja et al.

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

Posada Urrutia, Mauricio

Live long and phosphor: synthesis of new 2,1,3-benzothiadiazole based scaffolds and novel organo-Au(I) luminophores

2022.

Metallo-β-Lactamase Inhibitor Phosphonamidate Monoesters

Palica, Katarzyna; Vorácová, Manuela; Skagseth, Susann; Andersson Rasmussen, Anna et al.

Ingår i ACS Omega, s. 4550-4562, 2022.

DOI för Metallo-β-Lactamase Inhibitor Phosphonamidate Monoesters Ladda ner fulltext (pdf) av Metallo-β-Lactamase Inhibitor Phosphonamidate Monoesters

Modified ent-Abietane Diterpenoids from the Leaves of Suregada zanzibariensis

Kalenga, Thobias M.; Mollel, Jackson T.; Said, Joanna; Orthaber, Andreas et al.

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

Ingner, Fredric

New Strategies for Transition Metal-mediated (Hetero)arene Functionalization

2022.

Ladda ner fulltext (pdf) av Ingner, Fredric

NMR Backbone Assignment of VIM-2 and Identification of the Active Enantiomer of a Potential Inhibitor

Wieske, Lianne H. E.; Bogaerts, Jonathan; Leding, Albin A. M.; Wilcox, Scott et al.

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

Photophysical characterization and fluorescence cell imaging applications of 4-N-substituted benzothiadiazoles

Doloczki, Susanne; Holmberg, Karl O.; Galván, Ignacio Fdez.; Swartling, Fredrik J. et al.

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

Polyoxygenated cyclohexene derivatives and flavonoids from the leaves of Uvaria pandensis

Maeda, Gasper; Gilissen, Pieter J.; Bourgard, Catarina; van der Wal, Jelle et al.

Ingår i Fitoterapia, 2022.

DOI för Polyoxygenated cyclohexene derivatives and flavonoids from the leaves of Uvaria pandensis

PROTAC cell permeability and oral bioavailability: a journey into uncharted territory

Poongavanam, Vasanthanathan; Kihlberg, Jan

Ingår i Future Medicinal Chemistry, s. 123-126, 2022.

DOI för PROTAC cell permeability and oral bioavailability: a journey into uncharted territory

Pushing the Limits of Characterising a Weak Halogen Bond in Solution

Peintner, Stefan; Erdélyi, Máté

Ingår i Chemistry - A European Journal, 2022.

DOI för Pushing the Limits of Characterising a Weak Halogen Bond in Solution Ladda ner fulltext (pdf) av Pushing the Limits of Characterising a Weak Halogen Bond in Solution

Regularized CASPT2: an Intruder-State-Free Approach

Battaglia, Stefano; Fransén, Lina; Fernández Galván, Ignacio; Lindh, Roland

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

Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanes

Fernández Galván, Ignacio; Brakestad, Anders; Vacher, Morgane

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

Surface immobilization of molecular catalysts using conducting redox polymers

Gaiser, Philipp; Sjödin, Martin; Emanuelsson, Rikard; Zaar, Felicia

2022.

Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage

Quant, Maria; Hillers-Bendtsen, Andreas Erbs; Ghasemi, Shima; Erdélyi, Máté et al.

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

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

Pham, Em Canh; Truong, Tuyen Ngoc; Dong, Nguyen Hanh; Vo, Duc Duy et al.

Ingår i Medicinal chemistry, s. 558-573, 2022.

DOI för 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

Synthesis of Diphenylacetylene Boronic Acid Derivatives for Hydroarylation of C₆₀

Eriksson, Måns

2022.

Ladda ner fulltext (pdf) av Synthesis of Diphenylacetylene Boronic Acid Derivatives for Hydroarylation of C₆₀

Synthesis of Fluorescent Analogues of FluoBar1 for Studying Protein Expression Rates in Living Cells

Hellgren, Victor

2022.

Ladda ner fulltext (pdf) av Synthesis of Fluorescent Analogues of FluoBar1 for Studying Protein Expression Rates in Living Cells

Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses

Luttens, Andreas; Gullberg, Hjalmar; Abdurakhmanov, Eldar; Vo, Duy Duc et al.

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

Advanced NMR techniques for structural elucidation in medicinal chemistry

Wieske, Hermina

Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states

Scott, Thais R.; Oakley, Meagan S.; Hermes, Matthew R.; Sand, Andrew M. et al.

Ingår i Journal of Chemical Physics, 2021.

DOI för Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states

Antibacterial and cytotoxic biflavonoids from the root bark of Ochna kirkii

Kalenga, Thobias M.; Ndoile, Monica M.; Atilaw, Yoseph; Munissi, Joan J. E. et al.

Ingår i Fitoterapia, 2021.

DOI för Antibacterial and cytotoxic biflavonoids from the root bark of Ochna kirkii Ladda ner fulltext (pdf) av Antibacterial and cytotoxic biflavonoids from the root bark of Ochna kirkii

Antibacterial and cytotoxic prenylated dihydrochalcones from Eriosema montanum

Umereweneza, Daniel; Atilaw, Yoseph; Rudenko, Anastasia; Gütlin, Yukino et al.

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

Anticancer Activity of New 1,2,3-Triazole-Amino Acid Conjugates

Le, Thanh Thanh; Le, Phung Thi Kim; Dam, Hai Thi Thanh; Vo, Duc Duy et al.

Ingår i Molbank, 2021.

DOI för Anticancer Activity of New 1,2,3-Triazole-Amino Acid Conjugates Ladda ner fulltext (pdf) av Anticancer Activity of New 1,2,3-Triazole-Amino Acid Conjugates

Antiplasmodial and antileishmanial flavonoids from Mundulea sericea

Chepkirui, Carolyne; Ochieng, Purity J; Sarkar, Biswajyoti; Hussain, Aabid et al.

Ingår i Fitoterapia (Milano), 2021.

DOI för Antiplasmodial and antileishmanial flavonoids from Mundulea sericea Ladda ner fulltext (pdf) av Antiplasmodial and antileishmanial flavonoids from Mundulea sericea

Antiviral iridoid glycosides from Clerodendrum myricoides

Umereweneza, Daniel; Molel, Jackson T.; Said, Joanna; Atilaw, Yoseph et al.

Ingår i Fitoterapia, 2021.

DOI för Antiviral iridoid glycosides from Clerodendrum myricoides Ladda ner fulltext (pdf) av Antiviral iridoid glycosides from Clerodendrum myricoides

Are bis(pyridine)iodine(i) complexes applicable for asymmetric halogenation?

von der Heiden, Daniel; Németh, Flóra Boróka; Andreasson, Måns; Sethio, Daniel et al.

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?

Assessing the Intrinsic Strengths of Ion-Solvent and Solvent-Solvent Interactions for Hydrated Mg2+ Clusters

Delgado, Alexis Antoinette Ann; Sethio, Daniel; Kraka, Elfi

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

Biflavanones, Chalconoids, and Flavonoid Analogues from the Stem Bark of Ochna holstii

Kalenga, Thobias M.; Ndoile, Monica M.; Atilaw, Yoseph; Gilissen, Pieter J. et al.

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

Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies

Begnini, Fabio; Poongavanam, Vasanthanathan; Atilaw, Yoseph; Erdélyi, Máté et al.

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

Delayed treatment with the immunotherapeutic LNFPIII ameliorates multiple neurological deficits in a pesticide-nerve agent prophylactic mouse model of Gulf War Illness

Carpenter, Jessica M.; Brown, Kyle A.; Diaz, Alexa N.; Dockman, Rachel L. et al.

Ingår i Neurotoxicology and Teratology, 2021.

DOI för Delayed treatment with the immunotherapeutic LNFPIII ameliorates multiple neurological deficits in a pesticide-nerve agent prophylactic mouse model of Gulf War Illness

Doloczki, Susanne

Development of fluorescent probes based on the benzothiadiazole scaffold

2021.

Begnini, Fabio

Discovery of Novel Macrocyclic Ligands for Difficult Targets: Applications to Natural Product Derived Keap1 Inhibitors

2021.

Ladda ner fulltext (pdf) av Begnini, Fabio

Employing complementary spectroscopies to study the conformations of an epimeric pair of side-chain stapled peptides in aqueous solution

Bogaerts, Jonathan; Atilaw, Yoseph; Peintner, Stefan; Aerts, Roy et al.

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

Fragment-based design of selective GPCR ligands guided by free energy simulations

Matricon, Pierre; Vo, Duc Duy; Gao, Zhan-Guo; Kihlberg, Jan et al.

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

Halogen Bonding: An Odd Chemistry?

Turunen, Lotta; Hansen, Jørn H; Erdélyi, Máté

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?

Halogen Bonding: From Fundamentals to Applications

Erdélyi, Máté; Esterhuysen, Catharine; Zhu, Weiliang

Ingår i ChemPlusChem, s. 1229-1230, 2021.

DOI för Halogen Bonding: From Fundamentals to Applications

Halogen Bonds of Iodonium Ions: A World Dissimilar to Silver Coordination

Turunen, Lotta; Boróka Németh, Flóra; Decato, Daniel A.; Pápai, Imre et al.

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

Implementation of iMiDEV™, a new fully automated microfluidic platform for radiopharmaceutical production

Ovdiichuk, Olga; Mallapura, Hemantha; Pineda, Florian; Hourtané, Virginie et al.

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

In silico studies of ASEM analogues targeting alpha 7-nAChR and experimental verification

Zhou, Yang; Kuang, Guanglin; Li, Junhao; Halldin, Christer et al.

Ingår i RSC Advances, s. 3942-3951, 2021.

DOI för In silico studies of ASEM analogues targeting alpha 7-nAChR and experimental verification

Indolylbenzothiadiazoles as highly tunable fluorophores for imaging lipid droplet accumulation in astrocytes and glioblastoma cells

Colas, Kilian; Holmberg Olausson, Karl; Chiang, Linus; Doloczki, Susanne et al.

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

Kinetic Analysis Uncovers Hidden Autocatalysis and Inhibition Pathways in Titanium(III)-Catalyzed Ketone-Nitrile Couplings

Younas, Sara L.; Streuff, Jan

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

Mechanochemical Solvent-Free Catalytic C-H Methylation

Ni, Shengjun; Hribersek, Matic; Baddigam, Swarna K.; Ingner, Fredric J. L. et al.

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

Mining Natural Products for Macrocycles to Drug Difficult Targets

Begnini, Fabio; Poongavanam, Vasanthanathan; Over, Bjorn; Castaldo, Marie et al.

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

Modulating photoswitch performance with halogen, coordinative and hydrogen bonding: a comparison of relative bond strengths

Lindblad, Sofia; Sethio, Daniel; Berryman, Orion B.; Erdélyi, Máté

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

News ways of understanding the complex biology of diabetes using PET

Eriksson, Olof; Långström, Bengt; Antoni, Gunnar

Ingår i Nuclear Medicine and Biology, s. 65-71, 2021.

DOI för News ways of understanding the complex biology of diabetes using PET

NMReDATA: Tools and applications

Kuhn, Stefan; Wieske, Lianne H. E.; Trevorrow, Paul; Schober, Daniel et al.

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

Non-uniform sampling for NOESY?: A case study on spiramycin

Wieske, Hermina; Erdélyi, Máté

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

On the role of symmetry in XDW-CASPT2

Battaglia, Stefano; Lindh, Roland

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

Oxygenated Cyclohexene Derivatives from the Stem and Root Barks of Uvaria pandensis

Maeda, Gasper; Gilissen, Pieter J.; Rudenko, Anastasia; van der Wal, Jelle et al.

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

Photophysical Characteristics of Polarity-Sensitive and Lipid Droplet-Specific Phenylbenzothiadiazoles

Colas, Kilian; Doloczki, Susanne; Kesidou, Aikaterina; Sainero-Alcolado, Lourdes et al.

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

P,N-Chelated Gold(III) Complexes: Structure and Reactivity

Reiersolmoen, Ann Christin; Battaglia, Stefano; Orthaber, Andreas; Lindh, Roland et al.

Ingår i Inorganic Chemistry, s. 2847-2855, 2021.

DOI för P,N-Chelated Gold(III) Complexes: Structure and Reactivity Ladda ner fulltext (pdf) av P,N-Chelated Gold(III) Complexes: Structure and Reactivity

P,N-Chelated Gold(III) Complexes: Structure and Reactivity

Reiersølmoen, Ann Christin; Battaglia, Stefano; Orthaber, Andreas; Lindh, Roland et al.

Ingår i Journal of the American Chemical Society, 2021.

Prevalent Bioimaging Scaffolds: Synthesis, Photophysical Properties and Applications

Colas, Kilian; Doloczki, Susanne; Posada Urrutia, Mauricio; Dyrager, Christine

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

Probing Halogen Bonds by Scalar Couplings

Jimmink, Bono; Sethio, Daniel; Turunen, Lotta; von der Heiden, Daniel et al.

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

Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced Kriging

Fernández Galván, Ignacio; Raggi, Gerardo; Lindh, Roland

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

Solution Conformations Shed Light on PROTAC Cell Permeability

Atilaw, Yoseph; Poongavanam, Vasanthanathan; Svensson Nilsson, Caroline; Nguyen, Duy et al.

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

Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2

Ge, Yunhui; Zhang, Si; Erdélyi, Máté; Voelz, Vincent A

Ingår i Journal of Chemical Information and Modeling, s. 2353-2367, 2021.

DOI för Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2

Spectroscopy of halogen bonding in solution

Wilcox, Scott; Herrebout, W; Erdélyi, Máté

Ingår i Halogen Bonding in Solution, s. 153-194, 2021.

Steering New Drug Discovery Campaigns: Permeability, Solubility, and Physicochemical Properties in the bRo5 Chemical Space

Caron, Giulia; Kihlberg, Jan; Goetz, Gilles; Ratkova, Ekaterina et al.

Ingår i ACS Medicinal Chemistry Letters, s. 13-23, 2021.

DOI för Steering New Drug Discovery Campaigns: Permeability, Solubility, and Physicochemical Properties in the bRo5 Chemical Space

Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family

Guo, Xiaohu; Söderholm, Annika; Kanchugal Puttaswamy, Sandesh; Isaksen, Geir V et al.

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

Structure-Guided Design of G-Protein-Coupled Receptor Polypharmacology

Kampen, Stefanie; Vo, Duc Duy; Zhang, Xiaoqun; Panel, Nicolas et al.

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

Substituted hydrocarbon: a CCSD(T) and local vibrational mode investigation

Ann Delgado, Alexis Antoinette; Sethio, Daniel; Matthews, Devin; Oliveira, Vytor et al.

Ingår i Molecular Physics, 2021.

DOI för Substituted hydrocarbon: a CCSD(T) and local vibrational mode investigation

Sulfur Oxidation Increases the Rate of HIRE-Type [1.4]Thiazepinone Ring Expansion and Influences the Conformation of a Medium-Sized Heterocyclic Scaffold

Reutskaya, Elena; Sapegin, Alexander; Peintner, Stefan; Erdélyi, Máté et al.

Ingår i Journal of Organic Chemistry, s. 5778-5791, 2021.

DOI för Sulfur Oxidation Increases the Rate of HIRE-Type [1.4]Thiazepinone Ring Expansion and Influences the Conformation of a Medium-Sized Heterocyclic Scaffold

The development of ¹¹C-carbonylation chemistry: A systematic view

Eriksson, Jonas; Antoni, Gunnar; Långström, Bengt; Itsenko, Oleksiy

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

The Influence of Secondary Interactions on the [N−I−N]⁺ Halogen Bond

Lindblad, Sofia; Boróka Németh, Flóra; Földes, Tamás; von der Heiden, Daniel et al.

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

The three-center halogen bond

Turunen, Lotta; Erdélyi, Máté

Ingår i Halogen Bonding in Solution, s. 121-151, 2021.

Theranostic Approach in Breast Cancer A Treasured Tailor for Future Oncology

Jokar, Narges; Velikyan, Irina; Ahmadzadehfar, Hojjat; Rekabpour, Seyed Javad et al.

Ingår i Clinical Nuclear Medicine, s. E410-E420, 2021.

DOI för Theranostic Approach in Breast Cancer A Treasured Tailor for Future Oncology

Toward a Generalized Hückel Rule: The Electronic Structure of Carbon Nanocones

Apriliyanto, Yusuf Bramastya; Battaglia, Stefano; Evangelisti, Stefano; Faginas-Lago, Noelia et al.

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

A Meroisoprenoid, Heptenolides, and C-Benzylated Flavonoids from Sphaerocoryne gracilis ssp. gracilis

Maeda, Gasper; Munissi, Joan J. E.; Lindblad, Sofia; Duffy, Sandra et al.

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

An Alternative Approach to the Hydrated Imidazoline Ring Expansion (HIRE) of Diarene-Fused [1.4]Oxazepines

Grintsevich, Sergey; Sapegin, Alexander; Reutskaya, Elena; Peintner, Stefan et al.

Ingår i European Journal of Organic Chemistry, s. 5664-5676, 2020.

DOI för An Alternative Approach to the Hydrated Imidazoline Ring Expansion (HIRE) of Diarene-Fused [1.4]Oxazepines

Antibacterial activity of 2-amino-3-cyanopyridine derivatives

Mamedov, Ibrahim G.; Naghiyev, Farid; Maharramov, Abel; Uwangue, Owens et al.

Ingår i Mendeleev communications (Print), s. 498-499, 2020.

DOI för Antibacterial activity of 2-amino-3-cyanopyridine derivatives

Antiplasmodial, Antimicrobial and Cytotoxic Activities of Extracts from Selected Medicinal Plants Growing in Tanzania

Begum, Sartaz; Munissi, Joan J.E.; Buriyo, Amelia S.; Makangara, John J. et al.

Ingår i Journal of Biologically Active Products from Nature, s. 165-176, 2020.

DOI för Antiplasmodial, Antimicrobial and Cytotoxic Activities of Extracts from Selected Medicinal Plants Growing in Tanzania

Assessing the Beneficial Effects of the Immunomodulatory Glycan LNFPIII on Gut Microbiota and Health in a Mouse Model of Gulf War Illness

Mote, Ryan S.; Carpenter, Jessica M.; Dockman, Rachel L.; Steinberger, Andrew J. et al.

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

Asymmetric [N–I–N]+ halonium complexes in solution?

von der Heiden, Daniel; Rissanen, Kari; Erdélyi, Máté

Ingår i Chemical Communications, s. 14431-14434, 2020.

DOI för Asymmetric [N–I–N]+ halonium complexes in solution?

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Jeong, WooSeok; Stoneburner, Samuel J.; King, Daniel; Li, Ruye et al.

Ingår i Journal of Chemical Theory and Computation, s. 2389-2399, 2020.

DOI för Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Binding and intracellular transport of 25-hydroxycholesterol by Niemann-Pick C2 protein

Petersen, Daniel; Reinholdt, Peter; Szomek, Maria; Hansen, Selina Kruuse et al.

Ingår i Biochimica et Biophysica Acta - Biomembranes, 2020.

DOI för Binding and intracellular transport of 25-hydroxycholesterol by Niemann-Pick C2 protein

Binding of 2-(Triazolylthio)acetamides to Metallo-beta-lactamase CcrA Determined with NMR

Andersson, Hanna; Jarvoll, Patrik; Yang, Shao-Kang; Yang, Ke-Wu et al.

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

Cartilage-binding antibodies initiate joint inflammation and promote chronic erosive arthritis

Li, Yanpeng; Tong, Dongmei; Liang, Peibin; Lönnblom, Erik et al.

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

Catalytic Activity of trans-Bis(pyridine)gold Complexes

Reiersoelmoen, Ann Christin; Csókás, Dániel; Oeien-Oedegaard, Sigurd; Vanderkooy, Alan et al.

Ingår i Journal of the American Chemical Society, s. 6439-6446, 2020.

DOI för Catalytic Activity of trans-Bis(pyridine)gold Complexes

Peintner, Stefan

Characterising Halogen Bonding in a Cooperative Model System

2020.

Competition between ring-puckering and ring-opening excited state reactions exemplified on 5H-furan-2-one and derivatives

Schalk, Oliver; Galiana, Joachim; Geng, Ting; Larsson, Tobias et al.

Ingår i Journal of Chemical Physics, 2020.

DOI för Competition between ring-puckering and ring-opening excited state reactions exemplified on 5H-furan-2-one and derivatives

Development of Metallo-β-lactamase Inhibitorsto Control Antibiotic Resistance

Palica, Katarzyna; Andersson, Hanna; Erdélyi, Máté

2020.

Docking Finds GPCR Ligands in Dark Chemical Matter

Ballante, Flavio; Rudling, Axel; Zeifman, Alexey; Luttens, Andreas et al.

Ingår i Journal of Medicinal Chemistry, s. 613-620, 2020.

DOI för Docking Finds GPCR Ligands in Dark Chemical Matter