Article
Chemistry, Multidisciplinary
Gontran Sangouard, Alessandro Zorzi, Yuteng Wu, Edouard Ehret, Mischa Schuettel, Sangram Kale, Cristina Diaz-Perlas, Jonathan Vesin, Julien Bortoli Chapalay, Gerardo Turcatti, Christian Heinis
Summary: The study introduces a novel strategy for synthesizing and screening combinatorial macrocyclic libraries on a picomolar scale using acoustic droplet ejection, reducing reaction volumes, reagent consumption, and synthesis time. This approach allows for the development of macrocycle ligands in a more efficient and scaled-down manner.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Thomas Whitmarsh-Everiss, Asger Hegelund Olsen, Luca Laraia
Summary: This study identified potent and selective inhibitors of cholesterol transport proteins through the synthesis of a diverse sterol-inspired compound collection, demonstrating a general strategy for future applications. The strategy may be applicable to other therapeutically relevant sterol-binding proteins.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Management
Sina Glaeser
Summary: Efficient solid waste management is a crucial issue for urban communities. This article introduces a new waste collection problem and proposes an adaptive large neighborhood search-based solution approach, which outperforms existing solution algorithms.
EUROPEAN JOURNAL OF OPERATIONAL RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Roman Bashkurov, Yosi Kratish, Natalia Fridman, Dmitry Bravo-Zhivotovskii, Yitzhak Apeloig
Summary: Thermolysis of tris(silyl) tin hydride 2 at 70 degrees C for 3 hours leads to the formation of various silyl-stannylene compounds, including the novel octastannacubane 9; the mechanism of this reaction mainly involves elimination reactions and dimerization reactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Integrative & Complementary Medicine
Qin Chun-Jun, Hou Hong-Li, Ding Mei-Ru, Qi Yi-Kuan, Tian Guang-Zong, Zou Xiao-Peng, Fu Jun-Jie, Hu Jing, Yin Jian
Summary: Most bacterial cell surface glycans are structurally unique and can be synthesized chemically for biomedical applications and research on their structure-activity relationships. In this study, a rare sugar called L-galactosaminuronic acid was designed and synthesized as a building block for the synthesis of complex bacterial glycans.
CHINESE JOURNAL OF NATURAL MEDICINES
(2022)
Article
Chemistry, Multidisciplinary
Li Gao, Shabnam Shaabani, Atilio Reyes Romero, Ruixue Xu, Maryam Ahmadianmoghaddam, Alexander Doemling
Summary: We demonstrate the feasibility of synthesizing a large library based on 16 different chemistries in parallel on a nanoscale using highly automated methods. Unlike combinatorial chemistry, we generate 16 scaffolds simultaneously, with each compound produced through a random combination of diverse building blocks in a sparse matrix fashion. The advantages of this automated nanoscale synthesis approach include library diversity, absence of storage logistics, superior economics, faster synthesis through automation, increased safety, and sustainable chemistry.
Article
Chemistry, Organic
Jodie L. Hann, Catherine L. Lyall, Gabriele Kociok-Kohn, Simon E. Lewis
Summary: This study presents a method for the synthesis of N-alkoxycarbonyl pyrroles by the condensation of readily available O-substituted carbamates with 2,5-dimethoxytetrahydrofuran. It is demonstrated that N-alkoxycarbonyl protection can impart distinct reactivity to pyrrole in comparison with N-sulfonyl protection.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Dmytro S. Radchenko, Vasyl S. Naumchyk, Igor Dziuba, Andrii A. Kyrylchuk, Kateryna E. Gubina, Yurii S. Moroz, Oleksandr O. Grygorenko
Summary: The three-component one-pot approach described in this study successfully synthesized unsymmetrical 1,3,5-trisubstituted-1,2,4-triazoles, with a high success rate of 81%. The methodology shows great potential for generating a large number of REAL compounds, some of which meet lead-likeness criteria and can be valuable in medicinal chemistry.
MOLECULAR DIVERSITY
(2022)
Article
Multidisciplinary Sciences
Yuting Hou, Minghao Liang, Fangzhu Qing, Xuesong Li
Summary: Research on material synthesis is traditionally done through batch by batch testing, but a new method using parallel experiments and time-space conversion can greatly improve efficiency and accuracy, potentially leading to a new wave of material synthesis research and accelerating the development of material science.
Article
Chemistry, Multidisciplinary
Joshua B. Cox, Alex A. Kellum, Yiwen Zhang, Bo Li, Amos B. Smith
Summary: A total synthesis of (-)-bastimolide A was achieved in twenty steps using ARC coupling tactics to rapidly construct the molecule's backbone, followed by a late-stage B-alkyl Suzuki-Miyaura union and Evans-modified Mukaiyama macrolactonization to generate the Z-alpha,beta-unsaturated macrocyclic lactone.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Eva Rivera-Chao, Martin Fananas-Mastral
Summary: An efficient and modular approach has been developed for the synthesis of multifunctional tetrasubstituted 1,3-dienes with high levels of regio- and stereoselectivity. This method is based on a tetracomponent reaction involving a borylated dendralene, an organolithium reagent, and two different electrophiles. Mechanistic studies have revealed the pathway of this transformation.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Transportation Science & Technology
Eui-Jin Kim, Prateek Bansal
Summary: An agent-based model simulates the actions and interactions of synthetic agents to understand system-level behavior. Population synthesis, which mimics the attributes of the actual population, is a key input to ABM. This study proposes a novel method to minimize the generation of infeasible attribute combinations while recovering ignored attribute combinations. By using two loss functions to regularize deep generative models, the feasibility and diversity of the synthetic population are improved significantly compared to traditional models.
TRANSPORTATION RESEARCH PART C-EMERGING TECHNOLOGIES
(2023)
Article
Chemistry, Multidisciplinary
Juliane Sorensen, Emilie Ljungberg Hansen, Dennis Larsen, Mathias Albert Elmquist, Andreas Buchleithner, Luca Florean, Sophie R. R. Beeren
Summary: The wide-scale use of γ-CD is currently limited due to costly production processes. In this study, we demonstrate a method to increase the yield of γ-CD in the enzymatic synthesis by adding a specific template and recovering it for reuse. The addition of a tetra-ortho-isopropoxy-substituted azobenzene template irradiated at 625 nm resulted in a 5-fold increase in γ-CD production.
Article
Chemistry, Physical
Xavier Abel-Snape, Gina Wycich, Mark Lautens
Summary: A palladium-catalyzed three-component domino reaction for accessing indene derivatives is described. The reaction involves the sequential formation of three bonds, with the first two resulting from inter- and intramolecular carbopalladation, and the final bond arising from an attack by a terminating nucleophilic reagent. The starting tether on the iodoarene can be modified to yield either indenes or benzofulvenes. Additionally, the use of an oxabicycle as an acetylene surrogate is demonstrated, and the enantioselective synthesis of indenes is preliminarily explored.
Article
Polymer Science
Jose L. Mendoza-Castellanos, Juan C. Pantoja-Espinoza, Luis C. Rodriguez-Pacheco, Francisco Paraguay-Delgado
Summary: The size of polymethyl methacrylate (PMMA) spheres can be controlled by varying the concentration of SDS surfactant, which can be used as a template for producing oxide coatings with tunable porosities. FTIR, TGA, SEM, and TEM techniques were used to analyze the PMMA samples and SnO2 coatings. The mathematical relationship between PMMA sphere diameter and SDS concentration was determined. The study found that the porosity of SnO2 coatings was dependent on the PMMA sphere diameter used as a template.
Article
Microbiology
Courtney R. Plumlee, Fergal J. Duffy, Benjamin H. Gern, Jared L. Delahaye, Sara B. Cohen, Caleb R. Stoltzfus, Tige R. Rustad, Scott G. Hansen, Michael K. Axthelm, Louis J. Picker, John D. Aitchison, David R. Sherman, Vitaly V. Ganusov, Michael Y. Gerner, Daniel E. Zak, Kevin B. Urdahl
Summary: The study successfully developed a tuberculosis model in mice that more closely resembles human disease by infecting them with an ultra-low dose of bacteria, resulting in highly heterogeneous bacterial burdens and granulomas similar to those in humans. By identifying blood RNA signatures, it was possible to predict infection outcomes in mice and infer the risk of progression to active tuberculosis in humans.
CELL HOST & MICROBE
(2021)
Article
Immunology
Fergal J. Duffy, Gregory S. Olson, Elizabeth S. Gold, Ana Jahn, Alan Aderem, John Aitchison, Alissa C. Rothchild, Alan H. Diercks, Johannes Nemeth
Summary: The blood RNA signatures derived from a mouse contained tuberculosis model can predict disease and tuberculosis containment in multiple human cohorts, suggesting potential for identification of biomarkers for human tuberculosis. Genes associated with immune defense are up-regulated in mice with CMTI but not in humans with active tuberculosis, indicating their role in bacterial containment. A signature comprising these genes can predict protection from tuberculosis disease and successful treatment at early time points, where current signatures are not predictive.
JOURNAL OF INFECTIOUS DISEASES
(2021)
Article
Infectious Diseases
Fergal J. Duffy, Ying Du, Jason Carnes, Judith E. Epstein, Stephen L. Hoffman, Salim Abdulla, Said Jongo, Maxmillian Mpina, Claudia Daubenberger, John D. Aitchison, Ken Stuart
Summary: This study found that vaccination with radiation-attenuated Plasmodium falciparum sporozoites can induce protective immunity through early interferon response and later proliferative cell cycle response. Responses associated with protection showed significant differences from those in non-protected individuals.
Article
Medicine, Research & Experimental
Praveen K. Sahu, Fergal J. Duffy, Selasi Dankwa, Maria Vishnyakova, Megharay Majhi, Lukas Pirpamer, Vladimir Vigdorovich, Jabamani Bage, Sameer Maharana, Wilson Mandala, Stephen J. Rogerson, Karl B. Seydel, Terrie E. Taylor, Kami Kim, D. Noah Sather, Akshaya Mohanty, Rashmi R. Mohanty, Anita Mohanty, Rajyabardhan Pattnaik, John D. Aitchison, Angelika Hoffman, Sanjib Mohanty, Joseph D. Smith, Maria Bernabeu, Samuel C. Wassmer
Summary: Higher parasite biomass and a subset of Group A-EPCR binding variants are common features in children and adult CM cases, despite age differences in brain swelling.
Article
Medicine, General & Internal
Aliya Ali, Marita Staunton, Adam Quinn, Gordon Treacy, Patrick Kennelly, Arnold Hill, Seamus Sreenan, Marian Brennan
Summary: The study found that volunteering during the COVID-19 pandemic helped medical students develop key skills such as communication, teamwork, compassion, and altruism, significantly enhancing their resilience and guiding their career choices. Additionally, the importance of evidence-based health in a pandemic was highlighted as a key learning outcome.
Article
Microbiology
Ying Du, Nina Hertoghs, Fergal J. Duffy, Jason Carnes, Suzanne M. McDermott, Maxwell L. Neal, Katharine V. Schwedhelm, M. Juliana McElrath, Stephen C. De Rosa, John D. Aitchison, Kenneth D. Stuart
Summary: A systems biology analysis of individuals immunized with radiation-attenuated sporozoites revealed differences in early innate immune responses that are associated with protection against malaria, providing insights for further malaria vaccine development.
Article
Immunology
Maxwell L. Neal, Fergal J. Duffy, Ying Du, John D. Aitchison, Kenneth D. Stuart
Summary: By analyzing transcriptomic data, this study identifies that a moderately elevated inflammatory state prior to immunization is associated with protection against malaria, providing insights into common baseline characteristics for an effective malaria vaccine.
Article
Microbiology
Filippo Prencipe, Aishah Alsibaee, Zainab Khaddem, Padraig Norton, Aisling M. Towell, Afnan F. M. Ali, Gerard Reid, Orla M. Fleury, Timothy J. Foster, Joan A. Geoghegan, Isabel Rozas, Marian P. Brennan
Summary: Colonization of S. aureus can lead to systemic infections, which are difficult to treat due to antibiotic resistance. We have identified a small molecule inhibitor of the S. aureus clumping factors that has potential as a colonization inhibitor.
MICROBIOLOGY SPECTRUM
(2022)
Article
Clinical Neurology
S. T. Lim, S. J. X. Murphy, S. M. Murphy, T. Coughlan, D. O'Neill, S. Tierney, B. Egan, D. R. Collins, A. J. McCarthy, S. -y. Lim, D. R. Smith, D. Cox, D. J. H. McCabe
Summary: This study evaluated the ability of dipyridamole to inhibit platelet function/reactivity and activation in patients with ischemic cerebrovascular disease. The results showed that dipyridamole can inhibit platelet function/reactivity under high and low shear stress conditions and is associated with failure of platelet aggregation and an increase in monocyte-platelet complexes.
JOURNAL OF THE NEUROLOGICAL SCIENCES
(2022)
Article
Multidisciplinary Sciences
Stuart Meier, James A. Seddon, Elizna Maasdorp, Leanie Kleynhans, Nelita du Plessis, Andre G. Loxton, Stephanus T. Malherbe, Daniel E. Zak, Ethan Thompson, Fergal J. Duffy, Stefan H. E. Kaufmann, Tom H. M. Ottenhoff, Thomas J. Scriba, Sara Suliman, Jayne S. Sutherland, Jill Winter, Helena Kuivaniemi, Gerhard Walzl, Gerard Tromp
Summary: This study analyzed RNA sequencing data from TB progressors and TB patients, and identified differential gene expression related to TB progression. The study also revealed that neutrophils and platelets play a critical role in the development of TB.
Article
Immunology
Fergal J. Duffy, Nina Hertoghs, Ying Du, Maxwell L. Neal, Damian Oyong, Suzanne McDermott, Nana Minkah, Jason Carnes, Katharine V. Schwedhelm, M. Juliana McElrath, Stephen C. De Rosa, Evan Newell, John D. Aitchison, Ken Stuart
Summary: This study provides detailed immunological profiling of a radiation-attenuated sporozoite (RAS) vaccine trial for malaria. The results reveal multiple immune processes induced by vaccination and associated with protection, including inflammatory and proliferative responses, as well as changes in specific cell subsets. Interferon responses differ between protected and non-protected individuals and are correlated with abundance of different monocyte populations.
FRONTIERS IN IMMUNOLOGY
(2022)
Review
Cardiac & Cardiovascular Systems
Jonathan Shpigelman, Anastasia Proshkina, Michael J. Daly, Dermot Cox
Summary: Dual antiplatelet therapy is essential for managing patients with acute coronary syndromes, but there is considerable variability in clinical response. De-escalation strategies can reduce bleeding risk, but the optimal approach is uncertain.
CURRENT CARDIOLOGY REPORTS
(2023)
Article
Education & Educational Research
Therese M. Lynn, Katrina A. D'urzo, Oluwarotimi Vaughan-Ogunlusi, Kathryn Wiesendanger, Sarah Colbert-Kaip, Austin Capcara, Sarah Chen, Seamus Sreenan, Marian P. Brennan
Summary: This study implemented and evaluated the impact of a student-led anti-racism programme on medical students' perceptions of racial bias in medicine, awareness of, and confidence to advocate against racism in medicine. The findings show that the programme significantly improved students' awareness and confidence to advocate against racism in medicine, leading to a change in their perception of race-based medical practice. This simple and reproducible programme contributes to addressing racial bias in medicine and enhancing anti-racism teaching among future physicians.
MEDICAL EDUCATION ONLINE
(2023)
Meeting Abstract
Public, Environmental & Occupational Health
Nina Hertoghs, Ying Du, Fergal Duffy, Katharine V. Schwedhelm, Suzanne M. McDermott, M. Juliana McElrath, Stephen C. De Rosa, Kenneth D. Stuart
AMERICAN JOURNAL OF TROPICAL MEDICINE AND HYGIENE
(2021)
Article
Immunology
Trust Odia, Stephanus T. Malherbe, Stuart Meier, Elizna Maasdorp, Leanie Kleynhans, Nelita du Plessis, Andre G. Loxton, Daniel E. Zak, Ethan Thompson, Fergal J. Duffy, Helena Kuivaniemi, Katharina Ronacher, Jill Winter, Gerhard Walzl, Gerard Tromp
Summary: Through analyzing gene expression in peripheral blood and lung PET data, the study identified 639 genes associated with resolution of lung inflammation in successfully cured PTB patients. These genes are involved in various biological processes, including some well-known in TB transcriptomics, and could provide potential therapeutic targets for TB treatment.
FRONTIERS IN IMMUNOLOGY
(2021)