Publications within Organic Chemistry

1-Phospha-Butadienes and 1H-Phospholes via Alkynylation of Acetylenic Phosphaalkenes

Shameem, Muhammad Anwar; Gupta, Arvind Kumar; Erdélyi, Máté; Orthaber, Andreas

Part of ChemPlusChem, 2023.

DOI for 1-Phospha-Butadienes and 1H-Phospholes via Alkynylation of Acetylenic Phosphaalkenes Download full text (pdf) of 1-Phospha-Butadienes and 1H-Phospholes via Alkynylation of Acetylenic Phosphaalkenes

An Indolin-3-imine Photobase and pH Sensitive Fluorophore

Doloczki, Susanne; Kern, Christoph; Holmberg, Karl O.; Zhao, Miao et al.

Part of ChemPhotoChem, 2023.

DOI for An Indolin-3-imine Photobase and pH Sensitive Fluorophore

Antigen-presenting autoreactive B cells activate regulatory T cells and suppress autoimmune arthritis in mice

Aoun, Mike; Coelho, Ana; Kraemer, Alexander; Saxena, Amit et al.

Part of Journal of Experimental Medicine, 2023.

DOI for Antigen-presenting autoreactive B cells activate regulatory T cells and suppress autoimmune arthritis in mice

Autoantibodies to Disease-Related Proteins in Joints as Novel Biomarkers for the Diagnosis of Rheumatoid Arthritis

Lönnblom, Erik; Leu Agelii, Monica; Sareila, Outi; Cheng, Lei et al.

Part of Arthritis & Rheumatology, p. 1110-1119, 2023.

DOI for Autoantibodies to Disease-Related Proteins in Joints as Novel Biomarkers for the Diagnosis of Rheumatoid Arthritis Download full text (pdf) of Autoantibodies to Disease-Related Proteins in Joints as Novel Biomarkers for the Diagnosis of Rheumatoid Arthritis

Benzo[b]naphtho[2,1-d]furans and 2-Phenylnaphthalenes from Streblus usambarensis

Chepkirui, Carolyne; Ali Adem, Fozia; Rudenko, Anastasia; Gütlin, Yukino et al.

Part of Journal of Natural Products, p. 1010-1018, 2023.

DOI for Benzo[b]naphtho[2,1-d]furans and 2-Phenylnaphthalenes from Streblus usambarensis Download full text (pdf) of Benzo[b]naphtho[2,1-d]furans and 2-Phenylnaphthalenes from Streblus usambarensis

Wieske, Hermina

Bringing Structure to Drug Discovery

2023.

Download full text (pdf) of Wieske, Hermina

Characterization and Catalytic Prospects of Metalloporphyrin-Functionalized Conducting Polymers

Zaar, Felicia; Emanuelsson, Rikard; Gaiser, Philipp; Strömme, Maria et al.

Part of Electrochimica Acta, 2023.

DOI for Characterization and Catalytic Prospects of Metalloporphyrin-Functionalized Conducting Polymers

Characterization and catalytic prospects of metalloporphyrin-functionalized conducting polymers

Zaar, Felicia; Emanuelsson, Rikard; Gaiser, Philipp; Strömme, Maria et al.

Part of Electrochimica Acta, 2023.

DOI for Characterization and catalytic prospects of metalloporphyrin-functionalized conducting polymers

Conducting Redox Polymers as Active Materials in Secondary Batteries

Sjödin, Martin; Emanuelsson, Rikard; Strietzel, Christian; Wang, Huan et al.

Part of 74th Annual Meeting of the International Society of Electrochemistry, 2023.

Conformational Sampling Deciphers the Chameleonic Properties of a VHL-Based Degrader

Ermondi, Giuseppe; Jimenez, Diego Garcia; Sebastiano, Matteo Rossi; Kihlberg, Jan et al.

Part of Pharmaceutics, 2023.

DOI for Conformational Sampling Deciphers the Chameleonic Properties of a VHL-Based Degrader Download full text (pdf) of Conformational Sampling Deciphers the Chameleonic Properties of a VHL-Based Degrader

Crotofolane Diterpenoids and Other Constituents Isolated from Croton kilwae

Mahambo, Emanuel T.; Uwamariya, Colores; Miah, Masum; Clementino, Leandro da Costa et al.

Part of Journal of Natural Products, p. 380-389, 2023.

DOI for Crotofolane Diterpenoids and Other Constituents Isolated from Croton kilwae Download full text (pdf) of Crotofolane Diterpenoids and Other Constituents Isolated from Croton kilwae

Design, Synthesis, and Antiviral Activities of New Benzotriazole-Based Derivatives

Ibba, Roberta; Corona, Paola; Nonne, Francesca; Caria, Paola et al.

Part of Pharmaceuticals, 2023.

DOI for Design, Synthesis, and Antiviral Activities of New Benzotriazole-Based Derivatives Download full text (pdf) of Design, Synthesis, and Antiviral Activities of New Benzotriazole-Based Derivatives

Detection of Heavy Metals in Food and Agricultural Products by Surface-enhanced Raman Spectroscopy

Guo, Zhiming; Chen, Ping; Yosri, Nermeen; Chen, Quansheng et al.

Part of Food reviews international (Print), p. 1440-1461, 2023.

DOI for Detection of Heavy Metals in Food and Agricultural Products by Surface-enhanced Raman Spectroscopy

Do non-coordinating polymers function as host materials for solid polymer electrolytes?: The case of PVdF-HFP

Hernández, Guiomar; Lee, Tian Khoon; Erdélyi, Máté; Brandell, Daniel et al.

Part of Journal of Materials Chemistry A, p. 15329-15335, 2023.

DOI for Do non-coordinating polymers function as host materials for solid polymer electrolytes?: The case of PVdF-HFP Download full text (pdf) of Do non-coordinating polymers function as host materials for solid polymer electrolytes?: The case of PVdF-HFP

Engineered Aldolases Catalyzing Stereoselective Aldol Reactions Between Aryl-Substituted Ketones and Aldehydes

Cornelius Chukwu, Eugenia; Bartl, Michael; Persson, Louise J.; Xiong, Ruisheng et al.

Part of Catalysis Science & Technology, 2023.

DOI for Engineered Aldolases Catalyzing Stereoselective Aldol Reactions Between Aryl-Substituted Ketones and Aldehydes Download full text (pdf) of Engineered Aldolases Catalyzing Stereoselective Aldol Reactions Between Aryl-Substituted Ketones and Aldehydes

Ensemble determination by NMR data deconvolution

Wieske, Lianne H. E.; Peintner, Stefan; Erdélyi, Máté

Part of Nature Reviews Chemistry, p. 511-524, 2023.

DOI for Ensemble determination by NMR data deconvolution

Going Viral: An Investigation into the Chameleonic Behaviour of Antiviral Compounds

Wieske, Lianne H. E.; Atilaw, Yoseph; Poongavanam, Vasanthanathan; Erdélyi, Máté et al.

Part of Chemistry - A European Journal, 2023.

DOI for Going Viral: An Investigation into the Chameleonic Behaviour of Antiviral Compounds Download full text (pdf) of Going Viral: An Investigation into the Chameleonic Behaviour of Antiviral Compounds

Graphene oxide microstructure control of electrosprayed thin films

Karlsson, Anton; Grennberg, Helena; Johansson, Stefan

Part of RSC Advances, p. 781-789, 2023.

DOI for Graphene oxide microstructure control of electrosprayed thin films Download full text (pdf) of Graphene oxide microstructure control of electrosprayed thin films

Macrocycles in Drug Discovery?Learning from the Past for the Future

Jiménez, Diego García; Poongavanam, Vasanthanathan; Kihlberg, Jan

Part of Journal of Medicinal Chemistry, p. 5377-5396, 2023.

DOI for Macrocycles in Drug Discovery?Learning from the Past for the Future Download full text (pdf) of Macrocycles in Drug Discovery?Learning from the Past for the Future

Macrocyclic Pyrrolizidine Alkaloids and Silphiperfolanol Angelate Esters from Solanecio mannii

Umereweneza, Daniel; Atilaw, Yoseph; Peintner, Stefan; Rudenko, Anastasia et al.

Part of European Journal of Organic Chemistry, 2023.

DOI for Macrocyclic Pyrrolizidine Alkaloids and Silphiperfolanol Angelate Esters from Solanecio mannii Download full text (pdf) of Macrocyclic Pyrrolizidine Alkaloids and Silphiperfolanol Angelate Esters from Solanecio mannii

Molecular volcano plots: thermodynamically sound but kinetically insufficient

Zaar, Felicia; Araujo, Moyses; Emanuelsson, Rikard; Olsson, Sandra K. et al.

2023.

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.

Part of RSC Advances, p. 399-420, 2023.

DOI for 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 Download full text (pdf) of 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

N-methyl-O-benzylhydroxylamine derivatives of sialylated oligosaccharides, their synthesis and separation with reversed-phase HPLC

Norberg, Thomas; Kallin, Elisabet

Part of Carbohydrate Research, 2023.

DOI for N-methyl-O-benzylhydroxylamine derivatives of sialylated oligosaccharides, their synthesis and separation with reversed-phase HPLC Download full text (pdf) of N-methyl-O-benzylhydroxylamine derivatives of sialylated oligosaccharides, their synthesis and separation with reversed-phase HPLC

Numerical simulation of peristalsis to study co-localization and intestinal distribution of a macromolecular drug and permeation enhancer

Naranjani, Benyamin; Sinko, Patrick D.; Bergström, Christel; Gogoll, A et al.

Part of International Journal of Biological Macromolecules, 2023.

DOI for Numerical simulation of peristalsis to study co-localization and intestinal distribution of a macromolecular drug and permeation enhancer Download full text (pdf) of Numerical simulation of peristalsis to study co-localization and intestinal distribution of a macromolecular drug and permeation enhancer

Photoinduced ring‐opening and phototoxicity of an indolin‐3‐one derivative

Doloczki, Susanne; Kern, Christoph; Holmberg, Karl; Swartling, Fredrik et al.

Part of Chemistry - A European Journal, 2023.

DOI for Photoinduced ring‐opening and phototoxicity of an indolin‐3‐one derivative

Predictive Modeling of PROTAC Cell Permeability with Machine Learning

Poongavanam, Vasanthanathan; Kölling, Florian; Giese, Anja; Göller, Andreas H. et al.

Part of ACS Omega, p. 5901-5916, 2023.

DOI for Predictive Modeling of PROTAC Cell Permeability with Machine Learning Download full text (pdf) of Predictive Modeling of PROTAC Cell Permeability with Machine Learning

Redox-site accessibility of composites containing a 2D redox-active covalent organic framework: from optimization to application

Günther, Tyran; Oka, Kouki; Olsson, Sandra K.; Åhlén, Michelle et al.

Part of Journal of Materials Chemistry A, p. 13923-13931, 2023.

DOI for Redox-site accessibility of composites containing a 2D redox-active covalent organic framework: from optimization to application Download full text (pdf) of Redox-site accessibility of composites containing a 2D redox-active covalent organic framework: from optimization to application

Reductive Umpolung and Defunctionalization Reactions through Higher-Order Titanium(III) Catalysis

Streuff, Jan

Part of Synlett, p. 314-326, 2023.

DOI for Reductive Umpolung and Defunctionalization Reactions through Higher-Order Titanium(III) Catalysis

Doloczki, Susanne

Shining Light on Benzothiadiazoles and Indolines: Photophysical Properties and Cancer Cell Imaging

2023.

Download full text (pdf) of Doloczki, Susanne

Simulation Reveals the Chameleonic Behavior of Macrocycles

Sethio, Daniel; Poongavanam, Vasanthanathan; Xiong, Ruisheng; Tyagi, Mohit et al.

Part of Journal of Chemical Information and Modeling, p. 138-146, 2023.

DOI for Simulation Reveals the Chameleonic Behavior of Macrocycles Download full text (pdf) of Simulation Reveals the Chameleonic Behavior of Macrocycles

Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization

Fernández Galván, Ignacio; Lindh, Roland

Part of Journal of Chemical Theory and Computation, p. 3418-3427, 2023.

DOI for Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization Download full text (pdf) of Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization

Solvent-free and ball mill-free catalytic C–H methylation

Hribersek, Matic; Méndez-Gálvez, Carolina; Huber, Martin; Gates, Paul J. et al.

Part of Green Chemistry, p. 9138-9145, 2023.

DOI for Solvent-free and ball mill-free catalytic C–H methylation Download full text (pdf) of Solvent-free and ball mill-free catalytic C–H methylation

Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists

Matricon, Pierre; Nguyen, Anh T. N.; Vo, Duc Duy; Baltos, Jo-Anne et al.

Part of European Journal of Medicinal Chemistry, 2023.

DOI for Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists Download full text (pdf) of Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists

Tetraphenylporphyrin electrocatalysts for the hydrogen evolution reaction: applicability of molecular volcano plots to experimental operating conditions

Zaar, Felicia; Araujo, Moyses; Emanuelsson, Rikard; Strömme, Maria et al.

Part of Dalton Transactions, p. 10348-10362, 2023.

DOI for Tetraphenylporphyrin electrocatalysts for the hydrogen evolution reaction: applicability of molecular volcano plots to experimental operating conditions Download full text (pdf) of Tetraphenylporphyrin electrocatalysts for the hydrogen evolution reaction: applicability of molecular volcano plots to experimental operating conditions

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

Li Manni, Giovanni; Fernández Galván, Ignacio; Alavi, Ali; Aleotti, Flavia et al.

Part of Journal of Chemical Theory and Computation, p. 6933-6991, 2023.

DOI for The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

Therapy targeting antigen-specific T cells by a peptide-based tolerizing vaccine against autoimmune arthritis

Urbonaviciute, Vilma; Romero-Castillo, Laura; Xu, Bingze; Luo, Huqiao et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2023.

DOI for Therapy targeting antigen-specific T cells by a peptide-based tolerizing vaccine against autoimmune arthritis

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

Part of ChemCatChem, 2022.

DOI for A Guide to Low-Valent Titanocene Complexes as Tunable Single-Electron Transfer Catalysts for Applications in Organic Chemistry Download full text (pdf) of 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.

Part of Fitoterapia, 2022.

DOI for A new β-hydroxydihydrochalcone from Tephrosia uniflora, and the revision of three β-hydroxydihydrochalcones to flavanones Download full text (pdf) of A new β-hydroxydihydrochalcone from Tephrosia uniflora, and the revision of three β-hydroxydihydrochalcones to flavanones

Analytic gradients for compressed multistate pair-density functional theory

Bao, Jie J.; Hermes, Matthew R.; Scott, Thais R.; Sand, Andrew M. et al.

Part of Molecular Physics, 2022.

DOI for Analytic gradients for compressed multistate pair-density functional theory

Catalytic Asymmetric β‐Oxygen Elimination

Matt, Christof; Orthaber, Andreas; Streuff, Jan

Part of Angewandte Chemie International Edition, 2022.

DOI for Catalytic Asymmetric β‐Oxygen Elimination Download full text (pdf) of Catalytic Asymmetric β‐Oxygen Elimination

Wilcox, Scott

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

2022.

Download full text (pdf) of Wilcox, Scott

Development of halogen-bonded organic frameworks

Drugge, Johan

2022.

Download full text (pdf) of 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.

Download full text (pdf) of Palica, Katarzyna

Umereweneza, Daniel

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

2022.

Download full text (pdf) of 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.

Part of Chemical Communications, p. 4977-4980, 2022.

DOI for 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.

Part of ACS Energy Letters, p. 2459-2468, 2022.

DOI for 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

Part of Drug Discovery Today, p. 967-984, 2022.

DOI for Enhancing preclinical drug discovery with artificial intelligence Download full text (pdf) of Enhancing preclinical drug discovery with artificial intelligence

Evaluation of delayed LNFPIII treatment initiation protocol on improving long-term behavioral and neuroinflammatory pathology in a mouse model of Gulf War Illness

Carpenter, Jessica M.; Brown, Kyle A.; Veltmaat, Lukas; Ludwig, Helaina D. et al.

Part of Brain, Behavior, and Immunity - Health, 2022.

DOI for Evaluation of delayed LNFPIII treatment initiation protocol on improving long-term behavioral and neuroinflammatory pathology in a mouse model of Gulf War Illness Download full text (pdf) of Evaluation of delayed LNFPIII treatment initiation protocol on improving long-term behavioral and neuroinflammatory pathology in a mouse model of Gulf War Illness

Halogen Bond Activation in Gold Catalysis

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

Part of ACS Catalysis, p. 7210-7220, 2022.

DOI for Halogen Bond Activation in Gold Catalysis Download full text (pdf) of Halogen Bond Activation in Gold Catalysis

Halogen-bonded halogen(I) ion complexes

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

Part of Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2022.

DOI for 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.

Part of Journal of Medicinal Chemistry, p. 3473-3517, 2022.

DOI for Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction Download full text (pdf) of 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.

Part of Annals of the Rheumatic Diseases, p. 480-489, 2022.

DOI for 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 Download full text (pdf) of 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.

Part of Journal of Medicinal Chemistry, p. 13029-13040, 2022.

DOI for Linker-Dependent Folding Rationalizes PROTAC Cell Permeability br Download full text (pdf) of 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.

Part of ACS Omega, p. 4550-4562, 2022.

DOI for Metallo-β-Lactamase Inhibitor Phosphonamidate Monoesters Download full text (pdf) of 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.

Part of Journal of Natural Products, p. 2135-2141, 2022.

DOI for Modified ent-Abietane Diterpenoids from the Leaves of Suregada zanzibariensis Download full text (pdf) of Modified ent-Abietane Diterpenoids from the Leaves of Suregada zanzibariensis

Ingner, Fredric

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

2022.

Download full text (pdf) of 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.

Part of ACS Medicinal Chemistry Letters, p. 257-261, 2022.

DOI for NMR Backbone Assignment of VIM-2 and Identification of the Active Enantiomer of a Potential Inhibitor Download full text (pdf) of 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.

Part of RSC Advances, p. 14544-14550, 2022.

DOI for Photophysical characterization and fluorescence cell imaging applications of 4-N-substituted benzothiadiazoles Download full text (pdf) of 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.

Part of Fitoterapia, 2022.

DOI for 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

Part of Future Medicinal Chemistry, p. 123-126, 2022.

DOI for 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

Part of Chemistry - A European Journal, 2022.

DOI for Pushing the Limits of Characterising a Weak Halogen Bond in Solution Download full text (pdf) of 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

Part of Journal of Chemical Theory and Computation, p. 4814-4825, 2022.

DOI for Regularized CASPT2: an Intruder-State-Free Approach Download full text (pdf) of 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

Part of Physical Chemistry, Chemical Physics - PCCP, p. 1638-1653, 2022.

DOI for Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanes Download full text (pdf) of 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.

Part of Chemical Science, p. 834-841, 2022.

DOI for Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage Download full text (pdf) of 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.

Part of Medicinal chemistry, p. 558-573, 2022.

DOI for 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.

Download full text (pdf) of 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.

Download full text (pdf) of 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.

Part of Journal of the American Chemical Society, p. 2905-2920, 2022.

DOI for Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses Download full text (pdf) of 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.

Part of Journal of Chemical Physics, 2021.

DOI for 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.

Part of Fitoterapia, 2021.

DOI for Antibacterial and cytotoxic biflavonoids from the root bark of Ochna kirkii Download full text (pdf) of 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.

Part of Fitoterapia (Milano), 2021.

DOI for Antibacterial and cytotoxic prenylated dihydrochalcones from Eriosema montanum Download full text (pdf) of 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.

Part of Molbank, 2021.

DOI for Anticancer Activity of New 1,2,3-Triazole-Amino Acid Conjugates Download full text (pdf) of 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.

Part of Fitoterapia (Milano), 2021.

DOI for Antiplasmodial and antileishmanial flavonoids from Mundulea sericea Download full text (pdf) of Antiplasmodial and antileishmanial flavonoids from Mundulea sericea

Antiviral iridoid glycosides from Clerodendrum myricoides

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

Part of Fitoterapia, 2021.

DOI for Antiviral iridoid glycosides from Clerodendrum myricoides Download full text (pdf) of 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.

Part of Organic and biomolecular chemistry, p. 8307-8323, 2021.

DOI for Are bis(pyridine)iodine(i) complexes applicable for asymmetric halogenation? Download full text (pdf) of 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

Part of INORGANICS, 2021.

DOI for Assessing the Intrinsic Strengths of Ion-Solvent and Solvent-Solvent Interactions for Hydrated Mg2+ Clusters Download full text (pdf) of 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.

Part of Journal of Natural Products, p. 364-372, 2021.

DOI for Biflavanones, Chalconoids, and Flavonoid Analogues from the Stem Bark of Ochna holstii Download full text (pdf) of 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.

Part of ACS Medicinal Chemistry Letters, p. 983-990, 2021.

DOI for Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies Download full text (pdf) of 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.

Part of Neurotoxicology and Teratology, 2021.

DOI for 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.

Download full text (pdf) of 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.

Part of RSC Advances, p. 4200-4208, 2021.

DOI for Employing complementary spectroscopies to study the conformations of an epimeric pair of side-chain stapled peptides in aqueous solution Download full text (pdf) of 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.

Part of Chemical Communications, p. 12305-12308, 2021.

DOI for Fragment-based design of selective GPCR ligands guided by free energy simulations Download full text (pdf) of Fragment-based design of selective GPCR ligands guided by free energy simulations

Halogen Bonding: An Odd Chemistry?

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

Part of The chemical record, p. 1252-1257, 2021.

DOI for Halogen Bonding: An Odd Chemistry? Download full text (pdf) of Halogen Bonding: An Odd Chemistry?

Halogen Bonding: From Fundamentals to Applications

Erdélyi, Máté; Esterhuysen, Catharine; Zhu, Weiliang

Part of ChemPlusChem, p. 1229-1230, 2021.

DOI for 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.

Part of Bulletin of the Chemical Society of Japan, p. 191-196, 2021.

DOI for 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.

Part of Lab on a Chip, p. 2272-2282, 2021.

DOI for Implementation of iMiDEV™, a new fully automated microfluidic platform for radiopharmaceutical production Download full text (pdf) of 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.

Part of RSC Advances, p. 3942-3951, 2021.

DOI for 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.

Part of RSC Advances, p. 23960-23967, 2021.

DOI for Indolylbenzothiadiazoles as highly tunable fluorophores for imaging lipid droplet accumulation in astrocytes and glioblastoma cells Download full text (pdf) of 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

Part of ACS Catalysis, p. 11451-11458, 2021.

DOI for Kinetic Analysis Uncovers Hidden Autocatalysis and Inhibition Pathways in Titanium(III)-Catalyzed Ketone-Nitrile Couplings Download full text (pdf) of 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.

Part of Angewandte Chemie International Edition, p. 6660-6666, 2021.

DOI for Mechanochemical Solvent-Free Catalytic C-H Methylation Download full text (pdf) of 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.

Part of Journal of Medicinal Chemistry, p. 1054-1072, 2021.

DOI for Mining Natural Products for Macrocycles to Drug Difficult Targets Download full text (pdf) of 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

Part of Chemical Communications, p. 6261-6263, 2021.

DOI for Modulating photoswitch performance with halogen, coordinative and hydrogen bonding: a comparison of relative bond strengths Download full text (pdf) of 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

Part of Nuclear Medicine and Biology, p. 65-71, 2021.

DOI for 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.

Part of Magnetic Resonance in Chemistry, p. 792-803, 2021.

DOI for NMReDATA: Tools and applications Download full text (pdf) of NMReDATA: Tools and applications

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

Wieske, Hermina; Erdélyi, Máté

Part of Magnetic Resonance in Chemistry, p. 723-737, 2021.

DOI for Non-uniform sampling for NOESY?: A case study on spiramycin Download full text (pdf) of Non-uniform sampling for NOESY?: A case study on spiramycin