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508 results on '"Jung, Nicole"'

1. What is missing in autonomous discovery: Open challenges for the community

Author

Maffettone, Phillip M., Friederich, Pascal, Baird, Sterling G., Blaiszik, Ben, Brown, Keith A., Campbell, Stuart I., Cohen, Orion A., Collins, Tantum, Davis, Rebecca L., Foster, Ian T., Haghmoradi, Navid, Hereld, Mark, Jung, Nicole, Kwon, Ha-Kyung, Pizzuto, Gabriella, Rintamaki, Jacob, Steinmann, Casper, Torresi, Luca, and Sun, Shijing

Subjects
Condensed Matter - Materials Science
Abstract

Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery. The promise of this field has given rise to a rich community of passionate scientists, engineers, and social scientists, as evidenced by the development of the Acceleration Consortium and recent Accelerate Conference. Despite its strengths, this rapidly developing field presents numerous opportunities for growth, challenges to overcome, and potential risks of which to remain aware. This community perspective builds on a discourse instantiated during the first Accelerate Conference, and looks to the future of self-driving labs with a tempered optimism. Incorporating input from academia, government, and industry, we briefly describe the current status of self-driving labs, then turn our attention to barriers, opportunities, and a vision for what is possible. Our field is delivering solutions in technology and infrastructure, artificial intelligence and knowledge generation, and education and workforce development. In the spirit of community, we intend for this work to foster discussion and drive best practices as our field grows.

Published
2023

2. VIOLÊNCIA CONTRA A MULHER: UM PANORAMA DOS ÚLTIMOS ANOS

Author

FROSI AMARAL, MARINA, primary, SCHONS JUNG, NICOLE, additional, BEISER DE MEDEIROS E ALBUQUERQUE, ROBERTA, additional, GOLDANI DA SILVA LAGUNA, INAIARA, additional, MACHADO BRISSAC, LUIZA, additional, SANDI, ISADORA, additional, DUCATTI MENEZES, MÁRCIA, additional, FONINI TREVISAN, MONIQUE, additional, and FELICIANO POTRICH, GABRIELLA, additional

Published
2024
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3. Metal Complexes as Antifungals? From a Crowd-Sourced Compound Library to the First In Vivo Experiments.

Author

Frei, Angelo, Elliott, Alysha, Kan, Alex, Dinh, Hue, Bräse, Stefan, Bruce, Alice, Bruce, Mitchell, Chen, Feng, Humaidy, Dhirgam, Jung, Nicole, King, A, Lye, Peter, Maliszewska, Hanna, Mansour, Ahmed, Matiadis, Dimitris, Muñoz, María, Pai, Tsung-Yu, Pokhrel, Shyam, Sadler, Peter, Sagnou, Marina, Taylor, Michelle, Wilson, Justin, Woods, Dean, Zuegg, Johannes, Meyer, Wieland, Cain, Amy, Cooper, Matthew, and Blaskovich, Mark

Abstract

There are currently fewer than 10 antifungal drugs in clinical development, but new fungal strains that are resistant to most current antifungals are spreading rapidly across the world. To prevent a second resistance crisis, new classes of antifungal drugs are urgently needed. Metal complexes have proven to be promising candidates for novel antibiotics, but so far, few compounds have been explored for their potential application as antifungal agents. In this work, we report the evaluation of 1039 metal-containing compounds that were screened by the Community for Open Antimicrobial Drug Discovery (CO-ADD). We show that 20.9% of all metal compounds tested have antimicrobial activity against two representative Candida and Cryptococcus strains compared with only 1.1% of the >300,000 purely organic molecules tested through CO-ADD. We identified 90 metal compounds (8.7%) that show antifungal activity while not displaying any cytotoxicity against mammalian cell lines or hemolytic properties at similar concentrations. The structures of 21 metal complexes that display high antifungal activity (MIC ≤1.25 μM) are discussed and evaluated further against a broad panel of yeasts. Most of these have not been previously tested for antifungal activity. Eleven of these metal complexes were tested for toxicity in the Galleria mellonella moth larva model, revealing that only one compound showed signs of toxicity at the highest injected concentration. Lastly, we demonstrated that the organo-Pt(II) cyclooctadiene complex Pt1 significantly reduces fungal load in an in vivo G. mellonella infection model. These findings showcase that the structural and chemical diversity of metal-based compounds can be an invaluable tool in the development of new drugs against infectious diseases.

Published
2022

5. Metal complexes as a promising source for new antibiotics.

Author

Frei, Angelo, Zuegg, Johannes, Elliott, Alysha, Baker, Murray, Braese, Stefan, Brown, Christopher, Chen, Feng, G Dowson, Christopher, Dujardin, Gilles, Jung, Nicole, King, A, Mansour, Ahmed, Massi, Massimiliano, Moat, John, Mohamed, Heba, Renfrew, Anna, Rutledge, Peter, Sadler, Peter, Todd, Matthew, Willans, Charlotte, Cooper, Matthew, Blaskovich, Mark, and Wilson, Justin

Abstract

There is a dire need for new antimicrobial compounds to combat the growing threat of widespread antibiotic resistance. With a currently very scarce drug pipeline, consisting mostly of derivatives of known antibiotics, new classes of antibiotics are urgently required. Metal complexes are currently in clinical development for the treatment of cancer, malaria and neurodegenerative diseases. However, only little attention has been paid to their application as potential antimicrobial compounds. We report the evaluation of 906 metal-containing compounds that have been screened by the Community for Open Antimicrobial Drug Discovery (CO-ADD) for antimicrobial activity. Metal-bearing compounds display a significantly higher hit-rate (9.9%) when compared to the purely organic molecules (0.87%) in the CO-ADD database. Out of 906 compounds, 88 show activity against at least one of the tested strains, including fungi, while not displaying any cytotoxicity against mammalian cell lines or haemolytic properties. Herein, we highlight the structures of the 30 compounds with activity against Gram-positive and/or Gram-negative bacteria containing Mn, Co, Zn, Ru, Ag, Eu, Ir and Pt, with activities down to the nanomolar range against methicillin resistant S. aureus (MRSA). 23 of these complexes have not been reported for their antimicrobial properties before. This work reveals the vast diversity that metal-containing compounds can bring to antimicrobial research. It is important to raise awareness of these types of compounds for the design of truly novel antibiotics with potential for combatting antimicrobial resistance.

Published
2020

6. Supplementary Figure 7 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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7. Supplementary Figure 12 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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8. Data from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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9. Supplementary Figure 3 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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10. Supplementary Figure 2 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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11. Supplementary Table 5 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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12. Supplementary Figure 9 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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13. Supplementary Table 6 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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14. Supplementary Table 1 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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15. Supplementary Table 3 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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16. Supplementary Figure 8 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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17. Supplementary Materials and Methods from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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18. Supplementary Figure 5 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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19. Supplementary Figure 6 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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20. Supplementary Table 7 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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21. Supplementary Table 4 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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22. Supplementary Table 2 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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23. Supplementary Figure 4 from Thio-2 Inhibits Key Signaling Pathways Required for the Development and Progression of Castration-resistant Prostate Cancer

Author

Neeb, Antje, primary, Figueiredo, Ines, primary, Bogdan, Denisa, primary, Cato, Laura, primary, Stober, Jutta, primary, Jiménez-Vacas, Juan M., primary, Gourain, Victor, primary, Lee, Irene I., primary, Seeger, Rebecca, primary, Muhle-Goll, Claudia, primary, Gurel, Bora, primary, Welti, Jonathan, primary, Nava Rodrigues, Daniel, primary, Rekowski, Jan, primary, Qiu, Xintao, primary, Jiang, Yija, primary, Di Micco, Patrizio, primary, Mateos, Borja, primary, Bielskutė, Stasė, primary, Riisnaes, Ruth, primary, Ferreira, Ana, primary, Miranda, Susana, primary, Crespo, Mateus, primary, Buroni, Lorenzo, primary, Ning, Jian, primary, Carreira, Suzanne, primary, Bräse, Stefan, primary, Jung, Nicole, primary, Gräßle, Simone, primary, Swain, Amanda, primary, Salvatella, Xavier, primary, Plymate, Stephen R., primary, Al-Lazikani, Bissan, primary, Long, Henry W., primary, Yuan, Wei, primary, Brown, Myles, primary, Cato, Andrew C.B., primary, de Bono, Johann S., primary, and Sharp, Adam, primary

Published
2024
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25. A chemical probe for BAG1 targets androgen receptor-positive prostate cancer through oxidative stress signaling pathway

Author

Kuznik, Nane C., Solozobova, Valeria, Lee, Irene I., Jung, Nicole, Yang, Linxiao, Nienhaus, Karin, Ntim, Emmanuel A., Rottenberg, Jaice T., Muhle-Goll, Claudia, Kumar, Amrish Rajendra, Peravali, Ravindra, Gräßle, Simone, Gourain, Victor, Deville, Célia, Cato, Laura, Neeb, Antje, Dilger, Marco, Cramer von Clausbruch, Christina A., Weiss, Carsten, Kieffer, Bruno, Nienhaus, G. Ulrich, Brown, Myles, Bräse, Stefan, and Cato, Andrew C.B.

Published
2022
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28. Thio-2 inhibits key signaling pathways required for the development and progression of castration resistant prostate cancer.

Author

Neeb, Antje, primary, Figueiredo, Ines, additional, Bogdan, Denisa, additional, Cato, Laura, additional, Stober, Jutta, additional, Jiménez-Vacas, Juan M., additional, Gourain, Victor, additional, Lee, Irene I., additional, Seeger, Rebecca, additional, Muhle-Goll, Claudia, additional, Gurel, Bora, additional, Welti, Jonathan, additional, Nava Rodrigues, Daniel, additional, Rekowski, Jan, additional, Qiu, Xintao, additional, Jiang, Yija, additional, Di Micco, Patrizio, additional, Mateos, Borja, additional, Bielskutė, Stasė, additional, Riisnaes, Ruth, additional, Ferreira, Ana, additional, Miranda, Susana, additional, Crespo, Mateus, additional, Buroni, Lorenzo, additional, Ning, Jian, additional, Carreira, Suzanne, additional, Bräse, Stefan, additional, Jung, Nicole, additional, Gräßle, Simone, additional, Swain, Amanda, additional, Salvatella, Xavier, additional, Plymate, Stephen R., additional, Al-Lazikani, Bissan, additional, Long, Henry W., additional, Yuan, Wei, additional, Brown, Myles, additional, Cato, Andrew C.B., additional, de Bono, Johann S., additional, and Sharp, Adam, additional

Published
2024
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30. The Impact of Digitalized Data Management on Materials Systems Workflows.

Author

Tristram, Frank, Jung, Nicole, Hodapp, Patrick, Schröder, Rasmus R., Wöll, Christof, and Bräse, Stefan

Subjects
*DATA management, *MATERIALS management, *WORKFLOW, *CHEMICAL synthesis, *MATERIALS analysis, *ELECTRON microscopy
Abstract

The basic modules for materials research are systems for the design, synthesis, preparation, analysis, and application of materials and materials systems. To be efficient and produce findable, accessible, interoperable, and reusable (FAIR) data, state‐of‐the‐art materials research needs to consider the integration of research data management (RDM) workflows and, in the end, the implementation of process automation concepts for all parts of the main modules. Here, the state‐of‐the‐art methods of RDM in academia are described and a perspective on the future of digitalized molecular material systems workflows is given. The different elements of an integrated research data management strategy are described, and examples of automated processes are depicted. As such, the use of electronic lab notebooks for comprehensive documentation, the use of data‐integration and data‐conversion strategies, and the establishment of two platforms that enable the automated synthesis of chemical components for materials and the analysis of materials by electron microscopy, are highlighted. Two examples of beneficial effects of successful RDM strategies are presented, showing a sophisticated tool for data prediction based on machine learning and options for creating community‐driven databases by extracting and re‐using data from different scientific projects. [ABSTRACT FROM AUTHOR]

Published
2024
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31. Functional Material Systems Enabled by Automated Data Extraction and Machine Learning.

Author

Kalhor, Payam, Jung, Nicole, Bräse, Stefan, Wöll, Christof, Tsotsalas, Manuel, and Friederich, Pascal

Subjects
*LANGUAGE models, *MACHINE learning, *SCIENTIFIC literature, *SPACE frame structures, *DATA extraction, *DATA management, *CLEAN energy
Abstract

The development of new functional materials is crucial for addressing global challenges such as clean energy or the discovery of new drugs and antibiotics. Functional material systems are typically composed of functional molecular building blocks, organized across multiple length scales in a hierarchical order. The large design space allows for precise tuning of properties to specific applications, but also makes it time‐consuming and expensive to screen for optimal structures using traditional experimental methods. Machine learning (ML) models can potentially revolutionize the field of materials science by predicting chemical syntheses and materials properties with high accuracy. However, ML models require data to be trained and validated. Methods to automatically extract data from scientific literature make it possible to build large and diverse datasets for ML models. In this article, opportunities and challenges of data extraction and machine learning methods are discussed to accelerate the discovery of high‐performing functional material systems, while ensuring that the predicted materials are stable, synthesizable, scalable, and sustainable. The potential impact of large language models (LLMs) on the data extraction process are discussed. Additionally, the importance of research data management tools is discussed to overcome the intrinsic limitations of data extraction approaches. [ABSTRACT FROM AUTHOR]

Published
2024
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45. Vorwort

Author

Bode-Jung, Nicole, primary and Thomas, Nicole, additional

Published
2021
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50. Anti-Neuroinflammatory Effects of a Macrocyclic Peptide-Peptoid Hybrid in Lipopolysaccharide-Stimulated BV2 Microglial Cells.

Author

Sun, Lu, Wilke Saliba, Soraya, Apweiler, Matthias, Akmermer, Kamil, Herlan, Claudine, Grathwol, Christoph, de Oliveira, Antônio Carlos Pinheiro, Normann, Claus, Jung, Nicole, Bräse, Stefan, and Fiebich, Bernd L.

Subjects
PROTEIN kinase C, MITOGEN-activated protein kinases, MICROGLIA, THERAPEUTICS, NEUROLOGICAL disorders
Abstract

Inflammation processes of the central nervous system (CNS) play a vital role in the pathogenesis of several neurological and psychiatric disorders like depression. These processes are characterized by the activation of glia cells, such as microglia. Clinical studies showed a decrease in symptoms associated with the mentioned diseases after the treatment with anti-inflammatory drugs. Therefore, the investigation of novel anti-inflammatory drugs could hold substantial potential in the treatment of disorders with a neuroinflammatory background. In this in vitro study, we report the anti-inflammatory effects of a novel hexacyclic peptide-peptoid hybrid in lipopolysaccharide (LPS)-stimulated BV2 microglial cells. The macrocyclic compound X15856 significantly suppressed Interleukin 6 (IL-6), tumor necrosis factor-α (TNF-α), c-c motif chemokine ligand 2 (CCL2), CCL3, C-X-C motif chemokine ligand 2 (CXCL2), and CXCL10 expression and release in LPS-treated BV2 microglial cells. The anti-inflammatory effects of the compound are partially explained by the modulation of the phosphorylation of p38 mitogen-activated protein kinases (MAPK), p42/44 MAPK (ERK 1/2), protein kinase C (PKC), and the nuclear factor (NF)-κB, respectively. Due to its remarkable anti-inflammatory properties, this compound emerges as an encouraging option for additional research and potential utilization in disorders influenced by inflammation, such as depression. [ABSTRACT FROM AUTHOR]

Published
2024
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