The computational search for new stable inorganic compounds is faster than ever, thanks to high-throughput density functional theory (DFT). However, stable compound searches remain highly expensive because of the enormous search space and the cost of DFT calculations. To aid these searches, recommendation engines have been developed.
View Article and Find Full Text PDFAntiferromagnetic materials offer potential for spintronic applications due to their resilience to magnetic field perturbations and lack of stray fields. Achieving exchange bias in these materials is crucial for certain applications; however, discovering such materials remains challenging due to their compensated spin structure. The quest for antiferromagnetic materials with exchange bias became a reality through our experimental study and theoretical simulation on and .
View Article and Find Full Text PDFACS Appl Mater Interfaces
December 2024
Copper-based sulfides are attractive candidates for NIR I and II responsive photothermal therapy but often suffer from high hydrophobicity, suboptimal photothermal conversion, and poor biostability and biocompatibility. In the present work, a rapid, one-pot synthesis method was developed to obtain Au-doped CuS (ACSH NDs) dual plasmonic nanodots. ACSH NDs exhibit excellent peroxidase-like catalytic activity for pH-responsive OH radical generation along with efficient glutathione depletion under tumor microenvironment mimicking conditions.
View Article and Find Full Text PDFTo manage risks and mitigate the transmission of infectious diseases, individuals often adopt strategies aimed at reducing interpersonal contact by implementing precautionary measures within their daily routines. These behavioral adjustments reduce the disease transmission rates. In this study, we present a novel mathematical model delineating diseases induced by carriers, incorporating multifaceted factors, such as psychological fear, media impact, and sanitation interventions.
View Article and Find Full Text PDFObjective: To evaluate the relevance of established surgical risk calculators (SRCs) for predicting complications in patients undergoing percutaneous lung cryoablation (PLC).
Methods: The institution's database was queried for PLC procedures from March 2015 to May 2024, excluding those patients with concomitant local therapies or five or more lesions treated in a single setting. Demographics, frailty metrics as defined by the surgical literature, and procedural variables were collected.
Synthetic chemistry approaches for direct C-H bond alkylation offers a promising alternative to traditional functional-group-centered strategies which often involve multi-step procedures and may suffer from a variety of challenges including scalability. Here, we introduce resonant mixing as an efficient method for meta-C-H alkylation of arenes using a Ru-catalyst, avoiding the need for bulk solvents, external temperature, or light. The described methodology is highly rapid, enabling multigram-scale synthesis of meta-alkylation products within a short reaction time and achieving a very high turnover frequency.
View Article and Find Full Text PDFThis study presents a greener approach to the visible-light-induced micellar-catalyzed diastereoselective iodosulfonylation of cyclopropenes in a water medium. Remarkably, this process operates without a photocatalyst. Instead, it utilizes an electron-donor-acceptor complex formed between sulfonyl chloride and sodium iodide.
View Article and Find Full Text PDFMonarda citriodora Cerv. ex Lag. is a rich source of industrially important compounds like γ-terpinene, carvacrol, thymol and thymoquinone.
View Article and Find Full Text PDFAmines are essential due to their structural diversity and biological significance. Introducing the valuable bicyclopentane (BCP) moiety at the α-position of amines offers a promising strategy for developing novel bioactive compounds. This study outlines a divergent synthesis approach to generate α-amino-functionalized bicyclopentyl iodides and methylene cyclobutanols under mild and environmentally sustainable conditions.
View Article and Find Full Text PDFThe first search for soft unclustered energy patterns (SUEPs) is performed using an integrated luminosity of 138 fb^{-1} of proton-proton collision data at sqrt[s]=13 TeV, collected in 2016-2018 by the CMS detector at the LHC. Such SUEPs are predicted by hidden valley models with a new, confining force with a large 't Hooft coupling. In events with boosted topologies, selected by high-threshold hadronic triggers, the multiplicity and sphericity of clustered tracks are used to reject the background from standard model quantum chromodynamics.
View Article and Find Full Text PDFJ Mater Chem B
December 2024
Investigations of the biological system have revealed many principles that govern regular life processes. Recently, the analysis of tiny mechanical forces associated with many biological processes revealed their significance in understanding biological functions. Consequently, this piqued the interest of researchers, and a series of technologies have been developed to understand biomechanical cues at the molecular level.
View Article and Find Full Text PDFThe Society of Interventional Radiology Foundation (SIR Foundation) aims to promote scientific research in Interventional Radiology by providing funding to promising investigators. Over the last 26 years, the SIRF has awarded more than 280 research grants. In 2020, the SIRF created a SIRF/NIH task force to evaluate the scientific ramifications of these funds in terms of overall productivity and research impact.
View Article and Find Full Text PDFTech Vasc Interv Radiol
September 2024
This technical review provides a comprehensive overview of spinal tumor ablation and vertebral augmentation. These percutaneous minimally invasive procedures offer significant survival and palliative pain relief benefits for patients with pathological vertebral fractures. Vertebral augmentation, which includes vertebroplasty and kyphoplasty, involves injecting cement into fractured vertebral bodies to restore height.
View Article and Find Full Text PDFThe first search for the Z boson decay to ττμμ at the CERN LHC is presented, based on data collected by the CMS experiment at the LHC in proton-proton collisions at a center-of-mass energy of 13 TeV and corresponding to an integrated luminosity of 138 fb^{-1}. The data are compatible with the predicted background. For the first time, an upper limit at the 95% confidence level of 6.
View Article and Find Full Text PDFDespite significant improvement in the survival of pediatric patients with cancer, treatment outcomes for high-risk, relapsed, and refractory cancers remain unsatisfactory. Moreover, prolonged survival is frequently associated with long-term adverse effects due to intensive multimodal treatments. Accelerating the progress of pediatric oncology requires both therapeutic advances and strategies to mitigate the long-term cytotoxic side effects, potentially through targeting specific molecular drivers of pediatric malignancies.
View Article and Find Full Text PDFIntroduction And Importance: Inflammatory myofibroblastic tumor IMT is a rare neoplasm with diverse clinical presentations, needing histological confirmation for diagnosis. The tumor often mimics malignant conditions, making accurate diagnosis challenging.
Case Presentation: We report a case of a 29-year-old male presenting with long standing recurrent abdominal pain, with more recent increasing frequency and associated weight loss.
Mixed-anion compounds, which incorporate multiple types of anions into materials, display tailored crystal structures and physical/chemical properties, garnering immense interest in various applications such as batteries, catalysis, photovoltaics, and thermoelectrics. However, detailed studies regarding correlations among crystal structure, chemical bonding, and thermal/vibrational properties are rare for these compounds, which limits the exploration of mixed-anion compounds for associated thermal applications. In this work, we investigate the lattice dynamics and thermal transport properties of the metal chalcohalide, CuBiSCl.
View Article and Find Full Text PDFWe developed a visible-light-induced vinyl amination of activated alkenes using TMSN and CsF through EDA complex formation under an oxygen atmosphere. Without light, the EDA complex forms between activated alkene, CsF, and oxygen. Upon exposure to light, oxygen in the complex gets excited, initiating the HAT process.
View Article and Find Full Text PDFIn this study, we have developed an effective and general strategy for synthesizing various 4-[(trifluoromethyl)thio]-2,3-dihydrofuran derivatives with high regioselectivity from easily prepared cyclopropyl ketone under mild reaction conditions. By the combination of photoredox, copper, and Lewis acid catalysis into a triple catalytic system, this methodology facilitates the selective cleavage of the carbon-carbon bonds and the formation of new carbon-oxygen and carbon-sulfur bonds. In addition, to enhance the synthetic feasibility of this protocol, we demonstrate its broad applicability across a wide range of substrates and its scalability for large-scale synthesis.
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