Publications within Organic Chemistry
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1-Phospha-Butadienes and 1H-Phospholes via Alkynylation of Acetylenic Phosphaalkenes
Part of ChemPlusChem, 2023.
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Autoantibodies to Disease-Related Proteins in Joints as Novel Biomarkers for the Diagnosis of Rheumatoid Arthritis
Part of Arthritis & Rheumatology, p. 1110-1119, 2023.
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Benzo[b]naphtho[2,1-d]furans and 2-Phenylnaphthalenes from Streblus usambarensis
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
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Conducting Redox Polymers as Active Materials in Secondary Batteries
Part of 74th Annual Meeting of the International Society of Electrochemistry, 2023.
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Conformational Sampling Deciphers the Chameleonic Properties of a VHL-Based Degrader
Part of Pharmaceutics, 2023.
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Crotofolane Diterpenoids and Other Constituents Isolated from Croton kilwae
Part of Journal of Natural Products, p. 380-389, 2023.
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Design, Synthesis, and Antiviral Activities of New Benzotriazole-Based Derivatives
Part of Pharmaceuticals, 2023.
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Detection of Heavy Metals in Food and Agricultural Products by Surface-enhanced Raman Spectroscopy
Part of Food reviews international (Print), p. 1440-1461, 2023.
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Do non-coordinating polymers function as host materials for solid polymer electrolytes?: The case of PVdF-HFP
Part of Journal of Materials Chemistry A, p. 15329-15335, 2023.
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Engineered Aldolases Catalyzing Stereoselective Aldol Reactions Between Aryl-Substituted Ketones and Aldehydes
Part of Catalysis Science & Technology, 2023.
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Ensemble determination by NMR data deconvolution
Part of Nature Reviews Chemistry, p. 511-524, 2023.
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Going Viral: An Investigation into the Chameleonic Behaviour of Antiviral Compounds
Part of Chemistry - A European Journal, 2023.
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Macrocycles in Drug Discovery?Learning from the Past for the Future
Part of Journal of Medicinal Chemistry, p. 5377-5396, 2023.
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Macrocyclic Pyrrolizidine Alkaloids and Silphiperfolanol Angelate Esters from Solanecio mannii
Part of European Journal of Organic Chemistry, 2023.
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N,2,6-Trisubstituted 1H-benzimidazole derivatives as a new scaffold of antimicrobial and anticancer agents: design, synthesis, in vitro evaluation, and in silico studies
Part of RSC Advances, p. 399-420, 2023.
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N-methyl-O-benzylhydroxylamine derivatives of sialylated oligosaccharides, their synthesis and separation with reversed-phase HPLC
Part of Carbohydrate Research, 2023.
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Numerical simulation of peristalsis to study co-localization and intestinal distribution of a macromolecular drug and permeation enhancer
Part of International Journal of Biological Macromolecules, 2023.
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Photoinduced ring‐opening and phototoxicity of an indolin‐3‐one derivative
Part of Chemistry - A European Journal, 2023.
DOI for Photoinduced ring‐opening and phototoxicity of an indolin‐3‐one derivative
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Redox-site accessibility of composites containing a 2D redox-active covalent organic framework: from optimization to application
Part of Journal of Materials Chemistry A, p. 13923-13931, 2023.
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Doloczki, Susanne
Shining Light on Benzothiadiazoles and Indolines: Photophysical Properties and Cancer Cell Imaging
2023.
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Simulation Reveals the Chameleonic Behavior of Macrocycles
Part of Journal of Chemical Information and Modeling, p. 138-146, 2023.
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Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization
Part of Journal of Chemical Theory and Computation, p. 3418-3427, 2023.
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Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists
Part of European Journal of Medicinal Chemistry, 2023.
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Tetraphenylporphyrin electrocatalysts for the hydrogen evolution reaction: applicability of molecular volcano plots to experimental operating conditions
Part of Dalton Transactions, p. 10348-10362, 2023.
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
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
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Therapy targeting antigen-specific T cells by a peptide-based tolerizing vaccine against autoimmune arthritis
Part of Proceedings of the National Academy of Sciences of the United States of America, 2023.
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A Guide to Low-Valent Titanocene Complexes as Tunable Single-Electron Transfer Catalysts for Applications in Organic Chemistry
Part of ChemCatChem, 2022.
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A new β-hydroxydihydrochalcone from Tephrosia uniflora, and the revision of three β-hydroxydihydrochalcones to flavanones
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
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Catalytic Asymmetric β‐Oxygen Elimination
Part of Angewandte Chemie International Edition, 2022.
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Palica, Katarzyna
Development of phosphorus-containing metallo-β-lactamase inhibitors: Synthesis and binding studies by solution NMR and molecular docking
2022.
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Umereweneza, Daniel
Discovery of Secondary Metabolites from Rwandese Medicinal Plants: Isolation, Characterization and Biological Activity
2022.
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Dual Functional High Donor Electrolytes for Lithium-Sulfur Batteries under Lithium Nitrate Free and Lean Electrolyte Conditions
Part of ACS Energy Letters, p. 2459-2468, 2022.
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Evaluation of delayed LNFPIII treatment initiation protocol on improving long-term behavioral and neuroinflammatory pathology in a mouse model of Gulf War Illness
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
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Halogen Bond Activation in Gold Catalysis
Part of ACS Catalysis, p. 7210-7220, 2022.
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Halogen-bonded halogen(I) ion complexes
Part of Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2022.
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Ergun Dönmez, Merve
Hydroarylation of Fullerene C60 Using Arylboronic Acids via Rhodium Catalysis: Improving the Outcomes and Simplifying the Conditions
2022.
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Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction
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
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Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor
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
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Linker-Dependent Folding Rationalizes PROTAC Cell Permeability br
Part of Journal of Medicinal Chemistry, p. 13029-13040, 2022.
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Posada Urrutia, Mauricio
Live long and phosphor: synthesis of new 2,1,3-benzothiadiazole based scaffolds and novel organo-Au(I) luminophores
2022.
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Modified ent-Abietane Diterpenoids from the Leaves of Suregada zanzibariensis
Part of Journal of Natural Products, p. 2135-2141, 2022.
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NMR Backbone Assignment of VIM-2 and Identification of the Active Enantiomer of a Potential Inhibitor
Part of ACS Medicinal Chemistry Letters, p. 257-261, 2022.
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Photophysical characterization and fluorescence cell imaging applications of 4-N-substituted benzothiadiazoles
Part of RSC Advances, p. 14544-14550, 2022.
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PROTAC cell permeability and oral bioavailability: a journey into uncharted territory
Part of Future Medicinal Chemistry, p. 123-126, 2022.
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Regularized CASPT2: an Intruder-State-Free Approach
Part of Journal of Chemical Theory and Computation, p. 4814-4825, 2022.
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Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanes
Part of Physical Chemistry, Chemical Physics - PCCP, p. 1638-1653, 2022.
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Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage
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
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Synthesis of a Series of Novel 2-Amino-5-substituted 1,3,4-oxadiazole and 1,3,4-thiadiazole Derivatives as Potential Anticancer, Antifungal and Antibacterial Agents
Part of Medicinal chemistry, p. 558-573, 2022.
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Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses
Part of Journal of the American Chemical Society, p. 2905-2920, 2022.
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Antibacterial and cytotoxic prenylated dihydrochalcones from Eriosema montanum
Part of Fitoterapia (Milano), 2021.
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Are bis(pyridine)iodine(i) complexes applicable for asymmetric halogenation?
Part of Organic and biomolecular chemistry, p. 8307-8323, 2021.
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Assessing the Intrinsic Strengths of Ion-Solvent and Solvent-Solvent Interactions for Hydrated Mg2+ Clusters
Part of INORGANICS, 2021.
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Biflavanones, Chalconoids, and Flavonoid Analogues from the Stem Bark of Ochna holstii
Part of Journal of Natural Products, p. 364-372, 2021.
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Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies
Part of ACS Medicinal Chemistry Letters, p. 983-990, 2021.
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Delayed treatment with the immunotherapeutic LNFPIII ameliorates multiple neurological deficits in a pesticide-nerve agent prophylactic mouse model of Gulf War Illness
Part of Neurotoxicology and Teratology, 2021.
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Begnini, Fabio
Discovery of Novel Macrocyclic Ligands for Difficult Targets: Applications to Natural Product Derived Keap1 Inhibitors
2021.
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Employing complementary spectroscopies to study the conformations of an epimeric pair of side-chain stapled peptides in aqueous solution
Part of RSC Advances, p. 4200-4208, 2021.
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Fragment-based design of selective GPCR ligands guided by free energy simulations
Part of Chemical Communications, p. 12305-12308, 2021.
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Halogen Bonding: An Odd Chemistry?
Part of The chemical record, p. 1252-1257, 2021.
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Halogen Bonding: From Fundamentals to Applications
Part of ChemPlusChem, p. 1229-1230, 2021.
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Halogen Bonds of Iodonium Ions: A World Dissimilar to Silver Coordination
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
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Implementation of iMiDEV™, a new fully automated microfluidic platform for radiopharmaceutical production
Part of Lab on a Chip, p. 2272-2282, 2021.
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Indolylbenzothiadiazoles as highly tunable fluorophores for imaging lipid droplet accumulation in astrocytes and glioblastoma cells
Part of RSC Advances, p. 23960-23967, 2021.
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Kinetic Analysis Uncovers Hidden Autocatalysis and Inhibition Pathways in Titanium(III)-Catalyzed Ketone-Nitrile Couplings
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
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Mechanochemical Solvent-Free Catalytic C-H Methylation
Part of Angewandte Chemie International Edition, p. 6660-6666, 2021.
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Mining Natural Products for Macrocycles to Drug Difficult Targets
Part of Journal of Medicinal Chemistry, p. 1054-1072, 2021.
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Modulating photoswitch performance with halogen, coordinative and hydrogen bonding: a comparison of relative bond strengths
Part of Chemical Communications, p. 6261-6263, 2021.
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News ways of understanding the complex biology of diabetes using PET
Part of Nuclear Medicine and Biology, p. 65-71, 2021.
DOI for News ways of understanding the complex biology of diabetes using PET
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NMReDATA: Tools and applications
Part of Magnetic Resonance in Chemistry, p. 792-803, 2021.
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Non-uniform sampling for NOESY?: A case study on spiramycin
Part of Magnetic Resonance in Chemistry, p. 723-737, 2021.
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