Publications

Quantitative approaches for spatial metabolomics with isomer differentiation using surface sampling capillary electrophoresis mass spectrometry

Golubova, Anastasia; Lanekoff, Ingela

Part of Talanta, 2026

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• DOI for Quantitative approaches for spatial metabolomics with isomer differentiation using surface sampling capillary electrophoresis mass spectrometry
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Central and peripheral kynurenine pathway metabolites in COVID-19: Implications for neurological and immunological responses

Li, Xueqi; Edén, Arvid; Malwade, Susmita; Cunningham, Janet L. et al.

Part of Brain, behavior, and immunity, p. 163-176, 2025

Article in journal

• DOI for Central and peripheral kynurenine pathway metabolites in COVID-19: Implications for neurological and immunological responses

A membrane permeability database for nonpeptidic macrocycles

Feng, Qiushi; De Chavez, Danjo; Kihlberg, Jan; Poongavanam, Vasanthanathan

Part of Scientific Data, 2025

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• DOI for A membrane permeability database for nonpeptidic macrocycles
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Targeting Cytokine-Mediated Inflammation in Brain Disorders: Developing New Treatment Strategies

Mallick, Rahul; Basak, Sanjay; Chowdhury, Premanjali; Bhowmik, Prasenjit et al.

Part of Pharmaceuticals, 2025

Article, review/survey

• DOI for Targeting Cytokine-Mediated Inflammation in Brain Disorders: Developing New Treatment Strategies
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A multi-tissue longitudinal proteomics study to evaluate the suitability of post-mortem samples for pathophysiological research

Beusch, Christian; Braesch-Andersen, Ken; Felldin, Ulrika; Sabatier, Pierre et al.

Part of Communications Biology, 2025

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• DOI for A multi-tissue longitudinal proteomics study to evaluate the suitability of post-mortem samples for pathophysiological research
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Targeting MarA N-terminal domain dynamics to prevent DNA binding

Corbella, Marina; Moreira, Catia; Bello-Madruga, Roberto; Torrent Burgas, Marc et al.

Part of Protein Science, 2025

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• DOI for Targeting MarA N-terminal domain dynamics to prevent DNA binding
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Spatial metabolomics platform combining mass spectrometry imaging and in-depth chemical characterization with capillary electrophoresis

Mavroudakis, Leonidas; Golubova, Anastasia; Lanekoff, Ingela

Part of Talanta, 2025

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• DOI for Spatial metabolomics platform combining mass spectrometry imaging and in-depth chemical characterization with capillary electrophoresis
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Contrasting seasonal patterns in particle aggregation and dissolved organic matter transformation in a sub-Arctic fjord

Digernes, Maria G.; Bodur, Yasemin V.; Amargant-Arumi, Marti; Muller, Oliver et al.

Part of Biogeosciences, p. 601-623, 2025

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• DOI for Contrasting seasonal patterns in particle aggregation and dissolved organic matter transformation in a sub-Arctic fjord
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Binuclear ruthenium complex linker length tunes DNA threading intercalation kinetics

Almaqwashi, Ali A.; Mccauley, Micah J.; Andersson, Johanna; Rouzina, Ioulia et al.

Part of Biophysical Journal, p. 667-676, 2025

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• DOI for Binuclear ruthenium complex linker length tunes DNA threading intercalation kinetics

Probing the Hidden Photoisomerization of a Symmetric Phosphaalkene Switch

Deka, Rajesh; Steen, Jorn D.; Hilbers, Michiel F.; Roeterdink, Wim G. et al.

Part of The Lancet Gastroenterology & Hepatology, 2025

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• DOI for Probing the Hidden Photoisomerization of a Symmetric Phosphaalkene Switch
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Smartphone-assisted fluorescent film based on the Flu grafted on Eu-MOF for real-time monitoring of fresh-cut fruit freshness

Zhang, Zhepeng; Gao, Mingjie; Zhang, Liang; Li, Jiangbo et al.

Part of Biosensors & bioelectronics, 2025

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• DOI for Smartphone-assisted fluorescent film based on the Flu grafted on Eu-MOF for real-time monitoring of fresh-cut fruit freshness

Integrated computational and biosensor-based strategies for the discovery of allosteric SMYD3 ligands using diperodon as a starting point

FitzGerald, Edward; Rachman, Moira; Cederfelt, Daniela; Myers, Nadine et al.

Part of Bioorganic & Medicinal Chemistry, 2025

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• DOI for Integrated computational and biosensor-based strategies for the discovery of allosteric SMYD3 ligands using diperodon as a starting point
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Divalent intermediates in lanthanide-based photocatalysts: spectroscopic characterization and reactivity

Tomar, Monika; Thapper, Anders; Borbas, K. Eszter

Part of Inorganic Chemistry, p. 594-605, 2025

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• DOI for Divalent intermediates in lanthanide-based photocatalysts: spectroscopic characterization and reactivity
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The Human Milk Oligosaccharide Lacto-N-Fucopentaose III Conjugated to Dextran Inhibits HIV Replication in Primary Human Macrophages

Media, Tablow Shwan; Ramesh, Medhini; Lee, Olivia Isa; Ubaka, Lucy Njideka et al.

Part of Nutrients, 2025

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• DOI for The Human Milk Oligosaccharide Lacto-N-Fucopentaose III Conjugated to Dextran Inhibits HIV Replication in Primary Human Macrophages
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Pharmacokinetics and Alterations in Glucose and Insulin Levels After a Single Dose of Canagliflozin in Healthy Icelandic Horses

Michanek, Peter; Bröjer, Johan; Lilliehöök, Inger; Fjordbakk, Cathrine T et al.

Part of Journal of Veterinary Pharmacology and Therapeutics, p. 41-49, 2025

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• DOI for Pharmacokinetics and Alterations in Glucose and Insulin Levels After a Single Dose of Canagliflozin in Healthy Icelandic Horses
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Structure and function of the geldanamycin amide synthase from Streptomyces hygroscopicus

Ewert, Wiebke; Bartens, Christian; Ongouta, Jekaterina; Holmes, Monika et al.

Part of Nature Communications, 2025

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• DOI for Structure and function of the geldanamycin amide synthase from Streptomyces hygroscopicus
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Good Manufacturing Practice Validation and Radiation Dosimetry for the Clinical Application of a Novel α7-nAChR Radioligand: [¹¹C]KIn83

Jia, Zhisheng; Bolin, Martin; Moren, Anton Forsberg; Datta, Prodip et al.

Part of Molecules, 2025

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• DOI for Good Manufacturing Practice Validation and Radiation Dosimetry for the Clinical Application of a Novel α7-nAChR Radioligand: [¹¹C]KIn83
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Targeted analysis of seven selected tryptophan-melatonin metabolites: Simultaneous quantification of plasma analytes using fast and sensitive UHPLC-MS/MS

Kaleta, Michal; Kolitha, Bhagya S.; Novak, Ondrej; Rad, Farshid Mashayekhy et al.

Part of Journal of chromatography. B, 2025

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• DOI for Targeted analysis of seven selected tryptophan-melatonin metabolites: Simultaneous quantification of plasma analytes using fast and sensitive UHPLC-MS/MS
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Redefining the Limits of Functional Continuity in the Early Evolution of P-Loop NTPases

Demkiv, Andrey O.; Toledo-Patiño, Saacnicteh; Carmona, Encarni Medina; Berg, Andrej et al.

Part of Molecular biology and evolution, 2025

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• DOI for Redefining the Limits of Functional Continuity in the Early Evolution of P-Loop NTPases
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Expanding the "Terpenome": Applications of Unspecific Peroxygenases (UPOs) in Oxidations of Unnatural Terpenoids

Struwe, Henry; Grimm, Christopher; Draeger, Gerald; Beutel, Sascha et al.

Part of ChemCatChem, 2025

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• DOI for Expanding the "Terpenome": Applications of Unspecific Peroxygenases (UPOs) in Oxidations of Unnatural Terpenoids
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Exploring Dinuclear Titanium Complexes in Titanium(III) Catalysis

Unkrig-Bau, Michael A.; Leijendekker, Sara L.; Streuff, Jan

Part of ChemCatChem, 2025

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• DOI for Exploring Dinuclear Titanium Complexes in Titanium(III) Catalysis
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Probing the Influence of the Protein Scaffold on H-Cluster Reactivity via Gain-of-Function Studies─Improved H₂ Evolution and O₂ Tolerance through Rational Design of [FeFe] Hydrogenase

Cabotaje, Princess R.; Sekretareva, Alina; Senger, Moritz; Huang, Ping et al.

Part of Journal of the American Chemical Society, p. 4654-4666, 2025

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• DOI for Probing the Influence of the Protein Scaffold on H-Cluster Reactivity via Gain-of-Function Studies─Improved H₂ Evolution and O₂ Tolerance through Rational Design of [FeFe] Hydrogenase
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Regulatory effects of RNA-protein interactions revealed by reporter assays of bacteria grown on solid media

Pérez-Ropero, Guillermo; Dolcemascolo, Roswitha; Pérez-Ràfols, Anna; Andersson, Karl et al.

Part of Biosensors, 2025

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• DOI for Regulatory effects of RNA-protein interactions revealed by reporter assays of bacteria grown on solid media
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Native Mass Spectrometry Captures the Conformational Plasticity of Proteins with Low-Complexity Domains

Osterholz, Hannah; Stevens, Alexander; Abramsson, Mia L.; Lama, Dilraj et al.

Part of JACS Au, p. 281-290, 2025

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• DOI for Native Mass Spectrometry Captures the Conformational Plasticity of Proteins with Low-Complexity Domains
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Refolding of the Deinococcus Radiodurans phytochrome photosensory module and backbone resonance assignment by solution NMR

Vrhovac, Lidija; Levkovets, Maria; Orekhov, Vladislav; Westenhoff, Sebastian

Part of Protein Expression and Purification, 2025

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• DOI for Refolding of the Deinococcus Radiodurans phytochrome photosensory module and backbone resonance assignment by solution NMR
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Spatial mapping of the AA-PGE₂-EP axis in multiple sclerosis lesions

Hansen, Cathrin E.; Konings, Julia; Toth, Gabor; Chornyi, Serhii et al.

Part of Acta Neuropathologica, 2025

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• DOI for Spatial mapping of the AA-PGE₂-EP axis in multiple sclerosis lesions
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Variation in chemical composition of dissolved organic matter during the winter to spring transition in the northern Barents Sea

Digernes, Maria G.; Hawkes, Jeffrey A.; Müller, Oliver; Kohler, Stephen G. et al.

Part of Marine Chemistry, 2025

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• DOI for Variation in chemical composition of dissolved organic matter during the winter to spring transition in the northern Barents Sea
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Enhancing the redox potential of quinones in neutral aqueous electrolytes using proton-trap technology

Wang, Huan; Emanuelsson, Rikard; Zhang, Rui; Sjödin, Martin

Part of Nano Energy, 2025

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• DOI for Enhancing the redox potential of quinones in neutral aqueous electrolytes using proton-trap technology

Expanding the "Terpenome": Diterpene Synthases Accept GGPP-Ether Substrates

Ravkina, Viktoria; Dräger, Gerald; Droste, Jörn; Schwörer, Svenja et al.

Part of ACS Catalysis, p. 6796-6811, 2025

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• DOI for Expanding the "Terpenome": Diterpene Synthases Accept GGPP-Ether Substrates
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Flavonoids from the leaves of Monanthotaxis filipes modulate PCSK9 and LDLR

Mayeka, James G.; Atilaw, Yoseph; Shadrack, Daniel M.; Sarnyai, Farkas et al.

Part of Scientific African, 2025

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• DOI for Flavonoids from the leaves of Monanthotaxis filipes modulate PCSK9 and LDLR
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Engineering cardiolipin binding to an artificial membrane protein reveals determinants for lipid-mediated stabilization

Abramsson, Mia L.; Corey, Robin A.; Skerle, Jan L.; Persson, Louise et al.

Part of eLIFE, 2025

Article in journal

• DOI for Engineering cardiolipin binding to an artificial membrane protein reveals determinants for lipid-mediated stabilization

The "factory in a lab": telescoping the Matteson and Matteson-Hoppe-Aggarwal boronate chemistry under flow conditions

Fricke, Florian; Dräger, Gerald; Kirschning, Andreas

Part of Reaction Chemistry & Engineering, p. 1048-1053, 2025

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• DOI for The "factory in a lab": telescoping the Matteson and Matteson-Hoppe-Aggarwal boronate chemistry under flow conditions
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Insights into the intramembrane protease SPPL2b and its substrates: Functions and disease implications

Badman, Jack; Parracino, Antonietta; Kumar, Rajnish; Tambaro, Simone

Part of Science Signaling, 2025

Article, review/survey

• DOI for Insights into the intramembrane protease SPPL2b and its substrates: Functions and disease implications

Linker-Determined Folding and Hydrophobic Interactions Explain a Major Difference in PROTAC Cell Permeability

Poongavanam, Vasanthanathan; Peintner, Stefan; Abeje, Yordanos; Kölling, Florian et al.

Part of ACS Medicinal Chemistry Letters, p. 681-687, 2025

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• DOI for Linker-Determined Folding and Hydrophobic Interactions Explain a Major Difference in PROTAC Cell Permeability
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Elucidation of short linear motif‑based interactions of the MIT and rhodanese domains of the ubiquitin‑specific protease 8

Konstantinou, Aimiliani; Varga, Julia K.; Córdova-Pérez, Alicia; Simonetti, Leandro et al.

Part of Biology Direct, 2025

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• DOI for Elucidation of short linear motif‑based interactions of the MIT and rhodanese domains of the ubiquitin‑specific protease 8
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Click chemistry-based bioconjugation of iron oxide nanoparticles

Asad, Shno; Ahl, David; Suárez-López, Yael del Carmen; Erdélyi, Máté et al.

Part of Small, 2025

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• DOI for Click chemistry-based bioconjugation of iron oxide nanoparticles
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Indications for a universal hydrogen catalysis mechanism in [FeFe]-hydrogenases of different phylogenetic groups

Senger, Moritz; Schumann, Conrad; Cabotaje, Princess R.; Zamader, Afridi et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 9864-9875, 2025

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• DOI for Indications for a universal hydrogen catalysis mechanism in [FeFe]-hydrogenases of different phylogenetic groups
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Trypanosoma brucei L19 is essential for ribosomal function

Zarate, Juan Manuel; Simonetti, Leandro; Manzur, Maria Jimena; Barroso, Juan Arturo Gomez et al.

Part of Biochemical and Biophysical Research Communications - BBRC, 2025

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• DOI for Trypanosoma brucei L19 is essential for ribosomal function

Organic Peroxides in Transition-Metal-Free Cyclization and Coupling Reactions (C-C) via Oxidative Transformation

Rezaeifard, Amin; Doraghi, Fatemeh; Akbari, Fatemeh; Bari, Bahareh et al.

Part of ACS Omega, p. 15852-15907, 2025

Article, review/survey

• DOI for Organic Peroxides in Transition-Metal-Free Cyclization and Coupling Reactions (C-C) via Oxidative Transformation
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Defining short linear motif binding determinants by phage display-based deep mutational scanning

Benz, Caroline; Maasen, Lars; Simonetti, Leandro; Mihalič, Filip et al.

Part of Protein Science, 2025

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• DOI for Defining short linear motif binding determinants by phage display-based deep mutational scanning
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Protein Structure Classification Based on X-Ray-Laser-Induced Coulomb Explosion

André, Tomas; Eliah Dawod, Ibrahim; Cardoch, Sebastian; De Santis, Emiliano et al.

Part of Physical Review Letters, 2025

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• DOI for Protein Structure Classification Based on X-Ray-Laser-Induced Coulomb Explosion
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Three cases with chronic obsessive compulsive disorder report gains in wellbeing and function following rituximab treatment

Gallwitz, Maike; Lindqvist, Isa; Mulder, Jan; Rasmusson, Annica J. et al.

Part of Molecular Psychiatry, p. 1396-1406, 2025

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• DOI for Three cases with chronic obsessive compulsive disorder report gains in wellbeing and function following rituximab treatment
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Comprehensive quantification of C4 to C26 free fatty acids using a supercritical fluid chromatography-mass spectrometry method in pharmaceutical-grade egg yolk powders intended for total parenteral nutrition use

Retrato, Mark Dennis Chico; Nguyen, Anh Vu; Ubhayasekera, S. J. Kumari A.; Bergquist, Jonas

Part of Analytical and Bioanalytical Chemistry, p. 1461-1478, 2025

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• DOI for Comprehensive quantification of C4 to C26 free fatty acids using a supercritical fluid chromatography-mass spectrometry method in pharmaceutical-grade egg yolk powders intended for total parenteral nutrition use
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Network pharmacology and molecular dynamics simulation reveal antineoplastic potential of Antarctic sponge-derived suberitenones

Bhowmik, Prasenjit; Mallick, Rahul; Duttaroy, Asim K.

Part of Frontiers in Chemistry, 2025

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• DOI for Network pharmacology and molecular dynamics simulation reveal antineoplastic potential of Antarctic sponge-derived suberitenones
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Observation of early events in the photoactivation of Myxobacterial phytochrome using time-resolved serial femtosecond crystallography

Malla, Tek Narsingh; Aldama, Luis; Leon, Viridiana; Feliz, Denisse et al.

Part of Communications Chemistry, 2025

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• DOI for Observation of early events in the photoactivation of Myxobacterial phytochrome using time-resolved serial femtosecond crystallography
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Searching for Paralytic Toxin, Tetrodotoxin, in Swedish Bivalve Shellfish

Muratovic, Aida Zuberovic; Dharavath, Shyamraj; Bergquist, Jonas; Persson, Malin et al.

Part of Marine Drugs, 2025

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• DOI for Searching for Paralytic Toxin, Tetrodotoxin, in Swedish Bivalve Shellfish
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Solventless Catalytic C-H and C-X Functionalization without Ball Milling

Mendez-Galvez, Carolina; Barnå, Fredrik; Olsthoorn, Boris; Rosich, David Estebanez et al.

Part of Journal of Organic Chemistry, p. 8846-8856, 2025

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• DOI for Solventless Catalytic C-H and C-X Functionalization without Ball Milling
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Thiazole-fused thiazoliniums with ketone warheads as covalent inhibitors targeting Cys44 of SARS-CoV-2 3CL^pro

Cao, Qizhen; Zhang, Zhaoqin; Zhu, Guanghao; Dong, Sanfeng et al.

Part of Chemico-Biological Interactions, 2025

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• DOI for Thiazole-fused thiazoliniums with ketone warheads as covalent inhibitors targeting Cys44 of SARS-CoV-2 3CL^pro

Multimodal mass spectrometry - Raman imaging reveals solvent dependent structural and chemical tissue alterations

Tóth, Gábor; Kryska, Adrianna; Sroka-Bartnicka, Anna; Lanekoff, Ingela

Part of Analytica Chimica Acta, 2025

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• DOI for Multimodal mass spectrometry - Raman imaging reveals solvent dependent structural and chemical tissue alterations
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Structure-based discovery of positive allosteric modulators of the A₁ adenosine receptor

Nguyen, Anh T. N.; Panel, Nicolas; Vo, Duc Duy; Thai, Bui San et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2025

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• DOI for Structure-based discovery of positive allosteric modulators of the A₁ adenosine receptor
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Steroid dynamics in myalgic encephalomyelitis / chronic fatigue syndrome: a case-control study using ultra performance supercritical fluid chromatography tandem mass spectrometry

Thomas, Natalie; Ubhayasekera, S. J. Kumari A.; Armstrong, Christopher W.; Huang, Katherine et al.

Part of Journal of Translational Medicine, 2025

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• DOI for Steroid dynamics in myalgic encephalomyelitis / chronic fatigue syndrome: a case-control study using ultra performance supercritical fluid chromatography tandem mass spectrometry
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Characterizing the Sulfated and Glucuronidated (Poly)phenol Metabolome for Dietary Biomarker Discovery

Tsiara, Ioanna; Hervás Povo, Belén; Alotaibi, Wafa; Young Tie Yang, Paul et al.

Part of Journal of Agricultural and Food Chemistry, p. 6702-6710, 2025

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• DOI for Characterizing the Sulfated and Glucuronidated (Poly)phenol Metabolome for Dietary Biomarker Discovery
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NAT2 activity increases cytotoxicity of anthracycline antibiotics and HDAC inhibitors

Rameika, Natallia; Tsiara, Ioanna; Zhang, Xiaonan; Haberek, Wawrzyniec et al.

Part of Biochimica et Biophysica Acta - Molecular Basis of Disease, 2025

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• DOI for NAT2 activity increases cytotoxicity of anthracycline antibiotics and HDAC inhibitors
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Tolerogenic antigen-specific vaccine induces VISTA-enriched regulatory T cells and protects against arthritis in DRB1*04:01 mice

Romero-Castillo, Laura; Pandey, Rajan Kumar; Xu, Bingze; Beusch, Christian M. et al.

Part of Molecular Therapy, p. 3528-3545, 2025

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• DOI for Tolerogenic antigen-specific vaccine induces VISTA-enriched regulatory T cells and protects against arthritis in DRB1*04:01 mice
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The potential role of Staphylococcal enterotoxin C and TSST-1 in the infection of bovine mammary epithelial cells

Susilo, Yusak Budi; Artursson, Karin; Liu, Lihong; Södergren, Julia et al.

Part of Microbial Pathogenesis, 2025

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• DOI for The potential role of Staphylococcal enterotoxin C and TSST-1 in the infection of bovine mammary epithelial cells
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Global metabolomics profiling of glucuronides in human plasma, fecal, and cerebrospinal fluid samples

Tsiara, Ioanna; Correia, Mario S. P.; Yang, Fan; Zeng, Weiming et al.

Part of Analytical and Bioanalytical Chemistry, 2025

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• DOI for Global metabolomics profiling of glucuronides in human plasma, fecal, and cerebrospinal fluid samples
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Deciphering the RNA recognition by Musashi-1 to design protein and RNA variants for in vitro and in vivo applications

Perez-Rafols, Anna; Perez-Ropero, Guillermo; Cerofolini, Linda; Sperotto, Luca et al.

Part of Nucleic Acids Research, 2025

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• DOI for Deciphering the RNA recognition by Musashi-1 to design protein and RNA variants for in vitro and in vivo applications
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Non-Uniform Sampling for Quantitative NOESY

Darling, William T. P.; Hyberts, Sven G.; Erdélyi, Máté

Part of Magnetic Resonance in Chemistry, p. 495-507, 2025

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• DOI for Non-Uniform Sampling for Quantitative NOESY
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Reprogramming the Cyclization of the Sesquiterpene Synthase BcBOT2 Using 2,3-Z-Configured FPP Derivatives and by Means of "Methyl Mapping"

Budde, Jan Luca; Cay, Muhammed-Yasin; Draeger, Gerald; Droste, Joern et al.

Part of ACS Catalysis, p. 8125-8139, 2025

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• DOI for Reprogramming the Cyclization of the Sesquiterpene Synthase BcBOT2 Using 2,3-Z-Configured FPP Derivatives and by Means of "Methyl Mapping"
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Patient-reported treatment outcomes in ME/CFS and long COVID

Eckey, Martha; Li, Peng; Morrison, Braxton; Bergquist, Jonas et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2025

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• DOI for Patient-reported treatment outcomes in ME/CFS and long COVID
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Dipole orientation of hydrated gas phase proteins

Agelii, Harald; Jakobsson, Ellen L. S.; De Santis, Emiliano; Elfrink, Gideon et al.

Part of Physical Chemistry, Chemical Physics - PCCP, 2025

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• DOI for Dipole orientation of hydrated gas phase proteins
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High-throughput investigation of cyclin docking interactions reveals the complexity of motif binding determinants

Örd, Mihkel; Winters, Matthew J.; Subbanna, Mythili S.; de Martin Garrido, Natalia et al.

Part of Nature Communications, 2025

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• DOI for High-throughput investigation of cyclin docking interactions reveals the complexity of motif binding determinants
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Two pairs of CACNA1I (Ca_V3.3) variants with opposite effects on channel function cause neurodevelopmental disorders of varying severity

El Ghaleb, Yousra; Fernandez-Quintero, Monica L.; Campiglio, Marta; Tuluc, Petronel et al.

Part of PLOS Genetics, 2025

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Automated Selection of Nuclear Coordinates for Reduced Dimensionality Nonadiabatic Dynamics

Delmas, Vincent; Nardi, Alessandro Nicola; Merritt, Isabella C. D.; Ferte, Anthony et al.

Part of Journal of Chemical Theory and Computation, p. 6611-6621, 2025

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Chemoenzymatic Generation of Thio-analogues of ÎŽ-Cadinene, ÎŽ-Cadinol, and a Thio-diquinane Using 8-Thio-farnesylpyrophosphate

Jäger, Birk; Budde, Jan Luca; Birke, Norman; Hauke, Maximilian et al.

Part of Journal of Natural Products, p. 1653-1662, 2025

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Structural stability of chromophore-grafted Ubiquitin mutants in vacuum

De Santis, Emiliano; Mandl, Thomas; Kung, Jocky C. K.; Huynh, Khon et al.

Part of Physical Chemistry, Chemical Physics - PCCP, 2025

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Coarse-Graining and Classifying Massive High-Throughput XFEL Datasets of Crystallization in Supercooled Water

Chia, Ervin S. H.; Berberich, Tim B.; Sobolev, Egor; Koliyadu, Jayanath C. P. et al.

Part of Crystals, 2025

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Haptoglobin phenotypes and structural variants associate with post-exertional malaise and cognitive dysfunction in myalgic encephalomyelitis

Moezzi, Atefeh; Ushenkina, Anastasiya; Widgren, Anna; Bergquist, Jonas et al.

Part of Journal of Translational Medicine, 2025

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Pyrimidine-Containing Amino Acid Derivatives as New Anticancer Agents

Le, Tin Thanh; Le, Nguyen Phi Cat; Phung, Thi Nga; Le, Thi Thanh Huong et al.

Part of ChemistrySelect, 2025

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Standard Addition as a Method for Quantitative Mass Spectrometry Imaging

Davidová, Lucie; Lanekoff, Ingela

Part of Analytical Chemistry, p. 11572-11580, 2025

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Autoantibodies to joint-related peptides as predictive markers in early rheumatoid arthritis

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

Part of Rheumatology, p. 2227-2232, 2025

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Hydrogen Bond-Induced Binding between Organofluorine and Protein via Fluorine Atoms: A Database Survey and Quantum Chemistry Calculation Study

Han, Zijian; Li, Jintian; Liao, Qingyi; Luo, Ruitong et al.

Part of Journal of Medicinal Chemistry, p. 14882-14894, 2025

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Bioactive 2-arylbenzofuran and chalcone derivatives from Morus mesozygia Stapf

Matundura, Jackson Obegi; Mollel, Jackson T.; Miah, Masum; Said, Joanna et al.

Part of Fitoterapia, 2025

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Canagliflozin: Pharmacokinetics, tolerability and glucose/insulin effects of supratherapeutic doses in healthy horses

Michanek, Peter; Bröjer, Johan; Lilliehöök, Inger; Fjordbakk, Cathrine et al.

Part of The Veterinary Journal, 2025

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Virtual Fragment Screening for DNA Repair Inhibitors in Vast Chemical Space

Luttens, Andreas; Vo, Duc Duy; Scaletti, Emma; Wiita, Elisée et al.

Part of Nature Communications, 2025

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Complete computational design of high-efficiency Kemp elimination enzymes

Listov, Dina; Vos, Eva; Hoffka, Gyula; Hoch, Shlomo Yakir et al.

Part of Nature, p. 1421-1427, 2025

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Using multiscale molecular dynamics simulations to explore the fusion machinery underlying neurotransmitter release

An, Dong; Sharma, Satyan; Lindau, Manfred

Part of Quarterly reviews of biophysics, 2025

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Potential Region-Specific Neuroprotective Effects of Kynurenine Administration in Healthy Rodents Using High-Resolution Mass Spectrometry

Abujrais, Sandy; Simeit, Anne; Link, Mara; Kalberg, Fleur et al.

Part of ACS Chemical Neuroscience, p. 3682-3693, 2025

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A Base‐Mediated Rearrangement of the Benzylic 1,5‐Hexadipyridynyl Moiety

Remmerswaal, Wouter A.; Nguyen, Thai‐Tony; Han, Zijian; Krasovski Slobodian, Fedor et al.

Part of ChemPlusChem, 2025

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Liquid crystal nanoparticles for oral combination antibiotic therapies: A strategy towards protecting commensal gut bacteria during treatment

He, Xiguo; Karlsson, Philip; Xiong, Ruisheng; Moodie, Lindon W. K. et al.

Part of Journal of Colloid and Interface Science, p. 287-300, 2025

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Dynamically chiral phosphonic acid-type metallo-β-lactamase inhibitors

Gulyás, Kinga; Zhou, Liping; Salamonsen, Daniel; Prester, Andreas et al.

Part of Communications Chemistry, 2025

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Comprehensive transcriptome assessment in PBMCs of post-COVID patients at a median follow-up of 28 months after a mild COVID infection reveals upregulation of JAK/STAT signaling and a prolonged immune response

Fineschi, Serena; Klar, Joakim; Lopez Egido, Juan Ramon; Schuster, Jens et al.

Part of Frontiers in Immunology, 2025

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Cryo-EM exposes diverse polymorphism in IAPP mutants to guide the rational design of peptide-based therapeutics

Ooi, Saik Ann; Valli, Dylan; Kuska, Mikolaj I.; Mari, Helena et al.

Part of Journal of Molecular Biology, 2025

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Anion dependence of the redox potential of α-[Fe(mcp)L2] – a case study

Gaiser, Philipp; Emanuelsson, Rikard; Strömme, Maria; Sjödin, Martin

Part of Electrochimica Acta, 2025

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Coiled-coil scallops (Chlamys farreri) peptide hydrogel with metal ionic and temperature tunable assembly

Wu, Di; Wu, Chao; Ma, Wuchao; Wang, Zhenyu et al.

Part of Food Chemistry, 2024

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A metabolomics perspective on 2 years of high-intensity training in horses

Johansson, L.; Ringmark, S.; Bergquist, Jonas; Skiöldebrand, E. et al.

Part of Scientific Reports, 2024

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Transient spectroscopy from time-dependent electronic-structure theory without multipole expansions

Aurbakken, Einar; Sverdrup Ofstad, Benedicte; Kristiansen, Håkon Emil; Sigmundson Schøyen, Øyvind et al.

Part of Physical Review A: covering atomic, molecular, and optical physics and quantum information, 2024

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Targeting MYC induces lipid droplet accumulation by upregulation of HILPDA in clear cell renal cell carcinoma

Sainero-Alcolado, Lourdes; Garde-Lapido, Elisa; Snaebjörnsson, Marteinn Thor; Schoch, Sarah et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2024

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Decreasing Photoreactivity and Concurrent Change in Dissolved Organic Matter Composition With Increasing Inland Water Residence Time

Grasset, Charlotte; Einarsdóttir, Karólina; Catalán, Núria; Tranvik, Lars J. et al.

Part of Global Biogeochemical Cycles, 2024

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Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory

Calio, Paul B.; Hermes, Matthew R.; Bao, Jie J.; Fernández Galván, Ignacio et al.

Part of Journal of Physical Chemistry A, p. 1698-1706, 2024

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A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization Procedures

Sethio, Daniel; Azzopardi, Emily; Fdez. Galván, Ignacio; Lindh, Roland

Part of Journal of Physical Chemistry A, p. 2472-2486, 2024

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Toward ovarian cancer screening with protein biomarkers using dried, self-sampled cervico-vaginal fluid

Hedlund Lindberg, Julia; Widgren, Anna; Ivansson, Emma; Gustavsson, Inger M. et al.

Part of iScience, 2024

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Exploring the chemical space of orally bioavailable PROTACs

Apprato, Giulia; Poongavanam, Vasanthanathan; Jimenez, Diego Garcia; Atilaw, Yoseph et al.

Part of Drug Discovery Today, 2024

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Preparation of Simple Bicyclic Carboxylate-Rich Alicyclic Molecules for the Investigation of Dissolved Organic Matter

Craig, Alexander J.; Moodie, Lindon W. K.; Hawkes, Jeffrey A.

Part of Environmental Science and Technology, p. 7078-7086, 2024

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Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography

Cellini, Andrea; Shankar, Madan Kumar; Nimmrich, Amke; Hunt, Leigh Anna et al.

Part of Nature Chemistry, p. 624-632, 2024

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Identification of New Ketamine Metabolites and Their Detailed Distribution in the Mammalian Brain

Vallianatou, Theodosia; de Souza Anselmo, Carina; Tsiara, Ioanna; Bechet, Nicholas B. et al.

Part of ACS Chemical Neuroscience, p. 1335-1341, 2024

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Interfacial oxidized Pd species dominate catalytic hydrogenation of polar unsaturated bonds

You, Pengyao; Zhan, Shaoqi; Ruan, Pengpeng; Qin, Ruixuan et al.

Part of Nano Reseach, p. 235-244, 2024

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The protective role of commensal gut microbes and their metabolites against bacterial pathogens

Cheng, Liqin; Correia, Mario S. P.; Higdon, Shawn M.; Garcia, Fabricio Romero et al.

Part of Gut microbes, 2024

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Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane

Borne, Kurtis D.; Cooper, Joseph C.; Ashfold, Michael N. R.; Bachmann, Julien et al.

Part of Nature Chemistry, p. 499-505, 2024

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MolDStruct: modelling the dynamics and structure of matter exposed to ultrafast X-ray lasers with hybrid collisional-radiative/molecular dynamics

Dawod, Ibrahim; Cardoch, Sebastian; André, Tomas; De Santis, Emiliano et al.

Part of Journal of Chemical Physics, 2024

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