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Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression

targeted medicinal chemistry optimization for two molecular scaffolds. Lead compounds from one scaffold co-crystallize with human cGAS and occupy the ATP- and GTP-binding active site. The specificity and ... previously reported mass-spectrometry-based assay32. We describe medicinal chemistry approaches for derivatizing the screening hits into potent and specific inhibitors for h-cGAS arriving at compounds active

Sequencing of human genomes with nanopore technology

and apply a novel reference panel-free analytical method to infer and then exploit phase information which improves single-nucleotide variant (SNV) calling performance from otherwise modest levels. In ... those from shortread methods, we demonstrate the substantial benefits of analytical innovation. Ongoing improvements to base-calling and SNV-calling methodology must continue for nanopore sequencing to

Critical fluctuations and slowing down of chaos

singular state. Numerical simulations and analytical models show how the ordering mechanisms of critical dynamics are measurable through the hierarchy of spatiotemporal Lyapunov vectors. A subset of unstable ... critical temperature55. Here, by treating the nonlinear dynamics directly with numerical simulations and analytical models, we have resolved the phase space directions responsible for the thermodynamic

Urban pollution greatly enhances formation of natural aerosols over the Amazon rainforest

One of the least understood aspects in atmospheric chemistry is how urban emissions influence the formation of natural organic aerosols, which affect Earth’s energy budget. The Amazon rainforest ... Oceanography, University of California San Diego , La Jolla, CA 92093-0230 , USA 14 Max Planck Institute for Chemistry , P.O. Box 3060, Mainz D-55020 , Germany 15 Institute of Physics, University of Sa?o Paulo

Mimicking the surface and prebiotic chemistry of early Earth using flow chemistry

prebiotic chemistry, which greatly enhance the efficiency and plausibility of the synthesis. ... plausible, prebiotic feedstock molecules under conditions which mimic this scenario. Further consideration of the scenario has uncovered additional pertinent and novel aspects of prebiotic chemistry, which

Regioselective radical α-borylation of α,β-unsaturated carbonyl compounds for direct synthesis of α-borylcarbonyl molecules

Organoboron compounds are highly valuable in synthetic chemistry. In particular, α-borylcarbonyl compounds have shown versatile synthetic applications, owing to fruitful chemistries of both the boryl ... advantages in diverse and economical synthesis of valuable ?-borylcarbonyl molecules. - O in chemical synthesis, medicinal chemistry, and material rganoboron compounds have been substantially applied

Palladium prompted on-demand cysteine chemistry for the synthesis of challenging and uniquely modified proteins

Organic chemistry allows for the modification and chemical preparation of protein analogues for various studies. The thiolate side chain of the Cys residue has been a key functionality in these ... Kamnesky 0 Guy Mann 0 Cynthia Wolberger 0 Schulich Faculty of Chemistry, Technion-Israel Institute of Technology , Haifa 3200008 , Israel 1 Department of Biophysics and Biophysical Chemistry , Johns Organic

Microscopic insight into non-radiative decay in perovskite semiconductors from temperature-dependent luminescence blinking

high variety of activation energies of the PL enhancement reported in literature is not related to intrinsic properties but rather to the defect chemistry. Stabilizing the fluctuating quenchers in their

Monolayer surface chemistry enables 2-colour single molecule localisation microscopy of adhesive ligands and adhesion proteins

image. Here we developed self-assembled monolayer chemistry for indium tin oxide (ITO) surfaces for single molecule localisation microscopy (SMLM). Cell adhesion and spreading were sensitive to average ... photolithography mimic and modulate the chemistry and topography of adhesive ligands found in the extracellular matrix in vivo on substrata for ex vivo studies1?3. For example, colloid lithography and block

Exploiting limited valence patchy particles to understand autocatalytic kinetics

Autocatalysis, i.e., the speeding up of a reaction through the very same molecule which is produced, is common in chemistry, biophysics, and material science. Rate-equation-based approaches are often ... controlled and realistic conditions, including crowded environments. Simulation reveals that a full understanding of the kinetics involves an unexpected effect that eludes the chemistry of the reaction, and

Spin-controlled atom–ion chemistry

Quantum control of chemical reactions is an important goal in chemistry and physics. Ultracold chemical reactions are often controlled by preparing the reactants in specific quantum states. Here we

Prebiotic nucleic acids need space to grow

What were the conditions on early Earth when nucleotides were formed, and what are the most plausible nucleoside candidates? Answering these questions will require mechanistic chemistry and planetary ... organic chemistry must be made for a reaction to be considered prebiotically plausible. Orgel proposed that for a reaction run in a laboratory to qualify as prebiotic it must: use starting materials that

Conical-intersection dynamics and ground-state chemistry probed by extreme-ultraviolet time-resolved photoelectron spectroscopy

CI and the ensuing dissociation on the ground-state surface. This extends TRPES to ultrafast photo-induced chemistry on the electronic ground state, naturally inaccessible to UV-TRPES. In this work ... ). Author information AffiliationsLaboratory of Physical Chemistry, ETH Zurich, Vladimir-Prelog-Weg 2, CH-8093, Zurich, SwitzerlandA. von Conta, A. Tehlar, A. Schletter & H. J. WörnerFukui Institute for

Phase-field modeling and machine learning of electric-thermal-mechanical breakdown of polymer-based dielectrics

different properties. Machine learning is conducted on the database from the high-throughput simulations to produce an analytical expression for the breakdown strength, which is verified by targeted ... corresponding breakdown strengths of the P(VDF-HFP)-based nanocomposites. Then, machine learning is performed on the high-throughput simulation results to produce an analytical expression for the breakdown

Nonlinear detection of secondary isotopic chemical shifts in NMR through spin noise

The detection of minor species in the presence of large amounts of similar main components remains a key challenge in analytical chemistry, for instance, to obtain isotopic fingerprints. As an ... an excess of a major challenge in analytical chemistry is the detection of spectroscopically similar substance. It occurs, for instance, when low-abundance isotopic species are exploited for obtaining

Climate-driven shifts in sediment chemistry enhance methane production in northern lakes

results now suggest that earth system models and carbon budgets should consider the effects of plant communities on sediment chemistry and ultimately CH4 emissions at a global scale. ... Vale Living with Lakes Centre, Laurentian University , 935 Ramsey Lake Rd., Sudbury, ON P3E 2C6 , Canada 2 ICBM-MPI Bridging Group for Marine Geochemistry, Institute for Chemistry and Biology of the

SREBP-dependent lipidomic reprogramming as a broad-spectrum antiviral target

coronavirus and influenza A virus. Using click chemistry, the overexpressed sterol regulatory element binding protein (SREBP) is shown to interact with AM580, which accounts for its broad-spectrum antiviral ... AM580 as a tool compound, we modify it by click chemistry and identify the host cell sterol regulatory element binding protein (SREBP) as the direct binding target of AM580. SREBPs are bHLH-zip

Expanding frontiers in materials chemistry and physics with multiple anions

of these results derive from variations in metal cation chemistry, as opposed to the anion, when examining structure-property relationships. A multiple or mixed-anion compound is a solid-state ... anions-forming elements and their ions Full size table Such anion-centered chemistry and physics is still in its infancy; there is much unexplored space, making it perhaps the most untapped field of