Publikationer inom organisk kemi

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

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

Ingår i ChemPlusChem, 2023.

DOI för 1-Phospha-Butadienes and 1H-Phospholes via Alkynylation of Acetylenic Phosphaalkenes Ladda ner fulltext (pdf) av 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.

Ingår i ChemPhotoChem, 2023.

DOI för 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.

Ingår i Journal of Experimental Medicine, 2023.

DOI för 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.

Ingår i Arthritis & Rheumatology, s. 1110-1119, 2023.

DOI för Autoantibodies to Disease-Related Proteins in Joints as Novel Biomarkers for the Diagnosis of Rheumatoid Arthritis Ladda ner fulltext (pdf) av 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.

Ingår i Journal of Natural Products, s. 1010-1018, 2023.

DOI för Benzo[b]naphtho[2,1-d]furans and 2-Phenylnaphthalenes from Streblus usambarensis Ladda ner fulltext (pdf) av Benzo[b]naphtho[2,1-d]furans and 2-Phenylnaphthalenes from Streblus usambarensis

Wieske, Hermina

Bringing Structure to Drug Discovery

2023.

Ladda ner fulltext (pdf) av Wieske, Hermina

Characterization and Catalytic Prospects of Metalloporphyrin-Functionalized Conducting Polymers

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

Ingår i Electrochimica Acta, 2023.

DOI för 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.

Ingår i Electrochimica Acta, 2023.

DOI för 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.

Ingår i 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.

Ingår i Pharmaceutics, 2023.

DOI för Conformational Sampling Deciphers the Chameleonic Properties of a VHL-Based Degrader Ladda ner fulltext (pdf) av 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.

Ingår i Journal of Natural Products, s. 380-389, 2023.

DOI för Crotofolane Diterpenoids and Other Constituents Isolated from Croton kilwae Ladda ner fulltext (pdf) av 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.

Ingår i Pharmaceuticals, 2023.

DOI för Design, Synthesis, and Antiviral Activities of New Benzotriazole-Based Derivatives Ladda ner fulltext (pdf) av 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.

Ingår i Food reviews international (Print), s. 1440-1461, 2023.

DOI för 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.

Ingår i Journal of Materials Chemistry A, s. 15329-15335, 2023.

DOI för Do non-coordinating polymers function as host materials for solid polymer electrolytes?: The case of PVdF-HFP Ladda ner fulltext (pdf) av 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.

Ingår i Catalysis Science & Technology, 2023.

DOI för Engineered Aldolases Catalyzing Stereoselective Aldol Reactions Between Aryl-Substituted Ketones and Aldehydes Ladda ner fulltext (pdf) av 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

Ingår i Nature Reviews Chemistry, s. 511-524, 2023.

DOI för 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.

Ingår i Chemistry - A European Journal, 2023.

DOI för Going Viral: An Investigation into the Chameleonic Behaviour of Antiviral Compounds Ladda ner fulltext (pdf) av 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

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

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

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

Ingår i Journal of Medicinal Chemistry, s. 5377-5396, 2023.

DOI för Macrocycles in Drug Discovery?Learning from the Past for the Future Ladda ner fulltext (pdf) av 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.

Ingår i European Journal of Organic Chemistry, 2023.

DOI för Macrocyclic Pyrrolizidine Alkaloids and Silphiperfolanol Angelate Esters from Solanecio mannii Ladda ner fulltext (pdf) av 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.

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

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

Norberg, Thomas; Kallin, Elisabet

Ingår i Carbohydrate Research, 2023.

DOI för N-methyl-O-benzylhydroxylamine derivatives of sialylated oligosaccharides, their synthesis and separation with reversed-phase HPLC Ladda ner fulltext (pdf) av 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.

Ingår i International Journal of Biological Macromolecules, 2023.

DOI för Numerical simulation of peristalsis to study co-localization and intestinal distribution of a macromolecular drug and permeation enhancer Ladda ner fulltext (pdf) av 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.

Ingår i Chemistry - A European Journal, 2023.

DOI för 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.

Ingår i ACS Omega, s. 5901-5916, 2023.

DOI för Predictive Modeling of PROTAC Cell Permeability with Machine Learning Ladda ner fulltext (pdf) av 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.

Ingår i Journal of Materials Chemistry A, s. 13923-13931, 2023.

DOI för Redox-site accessibility of composites containing a 2D redox-active covalent organic framework: from optimization to application Ladda ner fulltext (pdf) av 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

Ingår i Synlett, s. 314-326, 2023.

DOI för 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.

Ladda ner fulltext (pdf) av Doloczki, Susanne

Simulation Reveals the Chameleonic Behavior of Macrocycles

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

Ingår i Journal of Chemical Information and Modeling, s. 138-146, 2023.

DOI för Simulation Reveals the Chameleonic Behavior of Macrocycles Ladda ner fulltext (pdf) av 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

Ingår i Journal of Chemical Theory and Computation, s. 3418-3427, 2023.

DOI för Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization Ladda ner fulltext (pdf) av 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.

Ingår i Green Chemistry, s. 9138-9145, 2023.

DOI för Solvent-free and ball mill-free catalytic C–H methylation Ladda ner fulltext (pdf) av 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.

Ingår i European Journal of Medicinal Chemistry, 2023.

DOI för Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists Ladda ner fulltext (pdf) av 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.

Ingår i Dalton Transactions, s. 10348-10362, 2023.

DOI för Tetraphenylporphyrin electrocatalysts for the hydrogen evolution reaction: applicability of molecular volcano plots to experimental operating conditions Ladda ner fulltext (pdf) av 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.

Ingår i Journal of Chemical Theory and Computation, s. 6933-6991, 2023.

DOI för 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.

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

DOI för 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

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

Analytic gradients for compressed multistate pair-density functional theory

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

Ingår i Molecular Physics, 2022.

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

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

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.

Ingår i Brain, Behavior, and Immunity - Health, 2022.

DOI för Evaluation of delayed LNFPIII treatment initiation protocol on improving long-term behavioral and neuroinflammatory pathology in a mouse model of Gulf War Illness Ladda ner fulltext (pdf) av 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.

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