Article
Computer Science, Artificial Intelligence
Michael A. Skinnider, Fei Wang, Daniel Pasin, Russell Greiner, Leonard J. Foster, Petur W. Dalsgaard, David S. Wishart
Summary: This research introduces a deep learning method named DarkNPS that can automatically elucidate the structures of unidentified designer drugs using only mass spectrometric data, achieving an accuracy of 51% and a top-10 accuracy of 86%. The generative approach has the potential to enable de novo structure elucidation for other types of small molecules routinely analyzed by mass spectrometry.
NATURE MACHINE INTELLIGENCE
(2021)
News Item
Multidisciplinary Sciences
Neil Savage
Summary: The researchers collaborated with this year's chemistry laureates to develop the valuable nanocrystals.
Article
Mechanics
Andreas Giesekus, Ulrich Giesekus
Summary: On the occasion of the 100th anniversary of Hanswalter Giesekus, his personality and biography will be highlighted in the commemorative publication "100 Years of Giesekus". The two authors, who are two of his six children, portray their father as a versatile individual with a passion for rheology and a wide range of interests including physics, astronomy, theology, literature, history, music, and art.
Article
Medicine, Research & Experimental
Claudia Gioe-Gallo, Sandra Ortigueira, Jose Brea, Iu Raich, Jhonny Azuaje, M. Rita Paleo, Maria Majellaro, Maria Isabel Loza, Cristian O. Salas, Xerardo Garcia-Mera, Gemma Navarro, Eddy Sotelo
Summary: Synthetic cannabinoid receptor agonists (SCRAs) are the largest and most defiant group of abuse designer drugs, with potent effects and severe consequences. Due to their ever-changing structure, limited information is available to the scientific community and law enforcement. This study provides new insights into the synthesis, pharmacology, and toxicity of SCRAs, identifying potential illegal psychoactive substances and their neurotoxicity on neuronal cells.
BIOMEDICINE & PHARMACOTHERAPY
(2023)
Article
Health Care Sciences & Services
Richard G. Frank, Andrew Hicks, Ernst R. Berndt
Summary: Generic drug prices have been a focus of attention in recent years, with investigations into pricing patterns and reports of price spikes for specific drugs. With 90% of all retail prescriptions in the US being generics, these prices impact the affordability of prescription drugs. Analysis shows a decline in prices for generic prescription drugs between 2007 and 2016.
MEDICAL CARE RESEARCH AND REVIEW
(2021)
Article
Chemistry, Multidisciplinary
David E. Lewis
Summary: Vladimir Vasil 'evich Markovnikov was a Russian chemist known for proposing the Markovnikov's Rule in organic chemistry, a rule that was not a result of inspired guess but rather emerged naturally from careful logic in his graduate dissertations.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Kazuho Ban, Keisuke Imai, Shuki Oyama, Jin Tokunaga, Yui Ikeda, Hiromasa Uchiyama, Kazunori Kadota, Yuichi Tozuka, Shuji Akai, Yoshinari Sawama
Summary: In this study, a novel concept for preparing deuterated reagents was established and the deuterium kinetic isotope effects were demonstrated for the first time. This research has significant implications for drug discovery based on deuterium chemistry.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
History & Philosophy Of Science
Kayla R. Mehl
Summary: This paper argues that the medical model of obesity, based on insufficient evidence, continues to be relied upon, despite conflicting with the epistemic and social aims of obesity research. The paper concludes with a partial solution to address these epistemic and social shortcomings.
Article
Psychology, Experimental
Olivier Dodier, Mickael Morlet-Rivelli, Fanny Verkampt
Summary: France has a strong tradition of applying psychoanalysis in psychology, including in the legal field. This article discusses the consequences of limited use of knowledge about memory from cognitive sciences in court. The authors present published data demonstrating the limited knowledge of French expert witnesses on memory and provide an overview of two reports highlighting the failure of expert witnesses to utilize reliable scientific knowledge in their reports and courtroom testimonies. Recommendations for improving practices are proposed.
JOURNAL OF APPLIED RESEARCH IN MEMORY AND COGNITION
(2023)
Article
Allergy
Sevgi Sipahi Cimen, Esra Yucel, Deniz Ozceker, Ayse Suleyman, Zeynep Hizli Demirkale, Ugurcan Sayili, Nermin Guler, Cevdet Ozdemir, Zeynep Ulker Tamay
Summary: The study evaluated 60 children with suspected paracetamol hypersensitivity, confirming 8 patients with a hypersensitivity to paracetamol through oral challenge tests. Among those tested, 4 were classified as selective responders, and 3 were classified as cross-intolerant after an OCT with a COX-1 inhibitor. A safe alternative non-steroidal anti-inflammatory drug was identified for all 3 cross-intolerant patients after an OCT with a selective COX-2 inhibitor.
PEDIATRIC ALLERGY AND IMMUNOLOGY
(2021)
Article
Multidisciplinary Sciences
Thomas Donoghue, Bradley Voytek
Summary: Event-related potentials (ERPs) are a common method for studying the neural basis of cognition and disease. An automated text-mining approach was used for meta-analysis to examine relationships between ERP terms, cognitive domains, and clinical disorders. The project aims to create data-driven profiles for each ERP, analyze key associations of each component, compare similarities across components, and ultimately characterize patterns and associations between topics and components.
SCIENTIFIC REPORTS
(2022)
Correction
Chemistry, Multidisciplinary
Mohammad Soltani, Brandon L. Mash, Julian Henseler, Sharhzad Badri, Matthias Zeller, E. Alan Salter, Andrzej Wierzbicki, Alexandra C. Stenson, James H. Davis
Summary: The study presents a method for synthesizing unorthodox crystalline drug salts through the reaction of amine-containing drugs with CO2. This provides a new approach for drug preparation.
CHEMICAL COMMUNICATIONS
(2023)
Article
Multidisciplinary Sciences
Ann M. Mc Cartney, Jane Anderson, Libby Liggins, Maui L. Hudson, Matthew Z. Anderson, Ben TeAika, Janis Geary, Robert Cook-Deegan, Hardip R. Patel, Adam M. Phillippy
Summary: The field of genomics has greatly benefited from open data sharing, but as the volume of sequence information grows and more international genomics efforts emerge, the fairness of openness is being questioned. Redefining openness to address barriers to engagement and protect Indigenous peoples and global biodiversity is of immediate importance.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Multidisciplinary Sciences
Makini A. S. Boothe, Cynthia Sema Baltazar, Isabel Sathane, Henry F. Raymond, Erika Fazito, Marleen Temmerman, Stanley Luchters
Summary: The study found that in Mozambique, the majority of MSM and FSW are young, whereas the proportion of young PWID is lower. They are usually single, have higher education levels but low employment rates. Young KPs have lower HIV prevalence, but they have lower perception of HIV risk, testing rates, and engage in more early sexual activities and injection drug use.
Article
Geography
Ferran Estrada Bonell, Ismael Vaccaro
Summary: This paper discusses the necessity for shepherds to comply with strict policies in order to ensure their herds can peacefully graze, which includes areas such as sanitation, animal welfare, insurance, production processes, environmental impact, and subsidies. These policies have led to thorough supervision and control of animals and their caretakers, resulting in a compliant techno-hybrid system that tracks every single animal and shepherd.
JOURNAL OF RURAL STUDIES
(2022)
Article
Biochemical Research Methods
Simon D. Brandt, Laura Carlino, Pierce Kavanagh, Folker Westphal, Wolfgang Dreiseitel, Geraldine Dowling, Michael H. Baumann, Harald H. Sitte, Adam L. Halberstadt
DRUG TESTING AND ANALYSIS
(2020)
Review
Neurosciences
Ernesto Solis, Kevin N. Hascup, Erin R. Hascup
JOURNAL OF ALZHEIMERS DISEASE
(2020)
Article
Clinical Neurology
Jenny L. Wiley, Daniel G. Barrus, Charlotte E. Farquhar, Timothy W. Lefever, Thomas F. Gamage
Summary: The study investigated the effects of age, sex, and rodent species on the psychoactive impact of intraperitoneal THC and its metabolite 11-OH-THC. The results show that 11-OH-THC exhibited higher potency in some aspects compared to THC, suggesting that species is a crucial design consideration in preclinical studies of phytocannabinoids.
PROGRESS IN NEURO-PSYCHOPHARMACOLOGY & BIOLOGICAL PSYCHIATRY
(2021)
Article
Neurosciences
Simon D. Brandt, Hailey M. Walters, John S. Partilla, Bruce E. Blough, Pierce V. Kavanagh, Michael H. Baumann
PSYCHOPHARMACOLOGY
(2020)
Article
Substance Abuse
L. Jenny Wiley, I. Shanequa Taylor, A. Julie Marusich
Summary: The study examined the effects of THC administered through different routes on rats. Results showed varying effects of THC across different routes of administration, providing empirical evidence for choosing the route of administration for mechanistic investigation of THC's pharmacology. Animal models using translationally relevant routes of administration may lead to more accurate predictions of THC effects in humans.
DRUG AND ALCOHOL DEPENDENCE
(2021)
Article
Chemistry, Analytical
Alexander L. Kovach, Randi R. Carter, Jonathan W. Thornburg, Robert Wiethe, Timothy R. Fennell, Jenny L. Wiley
Summary: Studies have found that vitamin E acetate undergoes thermal degradation in electronic vaping devices and is considered a major contributor to e-cigarette or vaping product use-associated lung injuries. By analyzing the degradation products of vitamin E acetate, researchers have identified two major compounds and suggested their potential as biomarkers for exposure and toxicity assessment.
JOURNAL OF ANALYTICAL TOXICOLOGY
(2022)
Article
Pharmacology & Pharmacy
David B. Finlay, Thuy Nguyen, Thomas F. Gamage, Shuli Chen, Daniel G. Barrus, Purvi R. Patel, Brian F. Thomas, Jenny L. Wiley, Yanan Zhang, Michelle Glass
Summary: This study compared the synthetic cannabinoid receptor agonist EG-018 and its analogues with existing putative neutral antagonists of CB1 receptor. The results showed highly variable signaling outcomes for EG-018 analogues, with some compounds demonstrating potential as neutral antagonists. These findings provide important insights for the development of CB1 neutral antagonists.
PHARMACOLOGY RESEARCH & PERSPECTIVES
(2022)
Article
Chemistry, Multidisciplinary
Grant C. Glatfelter, Duyen N. K. Pham, Donna Walther, James A. Golen, Andrew R. Chadeayne, Michael H. Baumann, David R. Manke
Summary: This study reported the synthesis, structural characterization, and pharmacological activity of several quaternary tryptammonium analogues. The results showed that these analogues do not target 5-HT2A sites but may have affinity for the serotonin transporter (SERT), providing potential templates for exploring selective actions at SERT.
Article
Substance Abuse
S. O. Vanegas, A. M. Reck, C. E. Rodriguez, J. A. Marusich, O. Yassin, G. Sotzing, J. L. Wiley, S. G. Kinsey
Summary: This study evaluates the effects of acute and repeated exposure to delta(8)-THC and finds that it produces similar effects to delta(9)-THC, including risk of drug dependence and abuse liability.
DRUG AND ALCOHOL DEPENDENCE
(2022)
Article
Behavioral Sciences
Julie A. Marusich, Thomas F. Gamage, Yanan Zhang, Luli R. Akinfiresoye, Jenny L. Wiley
Summary: Synthetic cannabinoid receptor agonists (SCRAs) are a novel class of psychoactive substances that bind to and activate CB1 receptors in the brain.
PHARMACOLOGY BIOCHEMISTRY AND BEHAVIOR
(2022)
Article
Behavioral Sciences
David B. Finlay, Warwick Mackie, Hunter D. J. Webb, Lucy R. Thomsen, Mhairi Nimick, Rhonda J. Rosengren, Julie A. Marusich, Michelle Glass, Jenny L. Wiley
Summary: AMB-FUBINACA is a synthetic cannabinoid receptor agonist associated with abuse and health harm. The study aimed to investigate the interactions between AMB-FUBINACA and pFPP in rats and mice. The results suggest that pFPP may attenuate some physiological effects of AMB-FUBINACA in rats, but there is little evidence of direct receptor interactions. Overall, combining pFPP and AMB-FUBINACA is unlikely to result in increased harm/toxicity.
PHARMACOLOGY BIOCHEMISTRY AND BEHAVIOR
(2023)
Article
Chemistry, Medicinal
Grant C. Glatfelter, Marilyn Naeem, Duyen N. K. Pham, James A. Golen, Andrew R. Chadeayne, David R. Manke, Michael H. Baumann
Summary: Analogues of psilocybin are being sold and developed as potential medications for psychedelic-assisted therapies. These analogues produce psychedelic-like effects primarily by agonist activity at serotonin 2A receptors. The present study examines the targeted receptors and the effects of a specific psilocybin analogue, 4-propionoxy-N,N-dimethyltryptamine, in mice.
ACS PHARMACOLOGY & TRANSLATIONAL SCIENCE
(2023)
Article
Cardiac & Cardiovascular Systems
Lucas T. Laudermilk, Julie A. Marusich, Jenny L. Wiley
Summary: This study investigates the effects of sex and route of administration on THC-induced changes in cardiopulmonary phenotypes in mice. The results demonstrate that THC alters respiratory minute volume and heart rate across different administration routes, with varying effects in duration and direction.
CARDIOVASCULAR TOXICOLOGY
(2023)
Article
Behavioral Sciences
Antony D. Abraham, Jenny L. Wiley, Julie A. Marusich
Summary: This study found that THC has an impact on nicotine intake in rat models, decreasing self-administration of nicotine and altering the dose-effect curve. Unlike nicotine, THC does not affect the response to sucrose.
PHARMACOLOGY BIOCHEMISTRY AND BEHAVIOR
(2023)
Article
Substance Abuse
Julie A. Marusich, Jenny L. Wiley
Summary: This study examined the effect of different routes of administration on the potency and time course of THC's discriminative stimulus properties. The results showed that THC administered through various routes produced similar stimulus effects. These findings have implications for predicting THC's effects in humans.
DRUG AND ALCOHOL DEPENDENCE REPORTS
(2023)