34-chemical-sciences

Documents about 34-chemical-sciences

• Beyond the Pre‐Equilibrium Approximation: Consequences of Elementary Step (Ir)reversibility on the Mechanistic Interpretation of Tafel Slope#996215eScholarship
• Solvation-Guided Design of Fluorescent Probes for Discrimination of Amyloids#492062eScholarship
• Primary defect production from molecular dynamics simulations of high-energy displacement cascades in NbMoTaW alloys#609447eScholarship
• Multistep catalytic abiotic CO2 conversion to sugars through C1 intermediates#612225eScholarship
• Nanoscale Compositional and Strain Gradients Enable High‐Speed and Amplitude‐Resolved Pyroelectric Sensing#624341eScholarship
• Low-temperature spin dynamics in lithium aluminum ferrite thin films: From cubic anisotropy to TLS-limited coherence#675820eScholarship
• Zebrafish behavioural profiling identifies GABA and serotonin receptor ligands related to sedation and paradoxical excitation#814605eScholarship
• Infrared nano-spectroscopy of ferroelastic domain walls in hybrid improper ferroelectric Ca3Ti2O7#491769eScholarship
• Probing the Heterogeneous Ozonolysis of Squalene Nanoparticles by Photoemission#612011eScholarship
• Precise Control of Molecular Self‐Diffusion in Isoreticular and Multivariate Metal‐Organic Frameworks#620058eScholarship
• Plasmonic polaron in self-intercalated 1T-TiS2#620132eScholarship
• The effect of thermal annealing on dopant site choice in conjugated polymers#629383eScholarship
• Identification of Biologically Active Pyrimido[5,4-b]indoles That Prolong NF-κB Activation without Intrinsic Activity#780580eScholarship
• X‑ray and EPR Characterization of the Auxiliary Fe–S Clusters in the Radical SAM Enzyme PqqE#617112eScholarship
• Accelerating electron diffraction analysis using graph neural networks and attention mechanisms#624294eScholarship
• In vivo bioluminescence imaging reveals copper deficiency in a murine model of nonalcoholic fatty liver disease#780484eScholarship
• The neonatal blood spot metabolome in retinoblastoma#996369eScholarship
• PbS Nanoparticles Capped with Tetrathiafulvalene­tetracarboxylate: Utilizing Energy Level Alignment for Efficient Carrier Transport#612199eScholarship
• Template-based syntheses for shape controlled nanostructures#624368eScholarship
• Measurement of Small Molecular Dopant F4TCNQ and C60F36 Diffusion in Organic Bilayer Architectures#629386eScholarship
• Biological and Biologically Inspired Functional Nanostructures: Insights into Structural, Optical, Thermal, and Sensing Applications#675834eScholarship
• Assessing Exhaustiveness of Stochastic Sampling for Integrative Modeling of Macromolecular Structures#996286eScholarship
• Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic-symmetry-dependent line shapes and laser-induced modifications#491792eScholarship
• Sex-associated differences in baseline urinary metabolites of healthy adults#491954eScholarship
• Parameterization for In-Silico Modeling of Ion Channel Interactions with Drugs#612083eScholarship
• Integrating Exposure Knowledge and Serum Suspect Screening as a New Approach to Biomonitoring: An Application in Firefighters and Office Workers#620036eScholarship
• A Comprehensive Non-targeted Analysis Study of the Prenatal Exposome#683826eScholarship
• Unconventional natural gas development and adverse birth outcomes in Pennsylvania: The potential mediating role of antenatal anxiety and depression#620107eScholarship
• Localized Heterogeneous Nucleation for Vapor‐Assisted Sequential Deposition of Metal Halide Perovskites#612170eScholarship
• Probing multi-dimensional composition spaces in search of strong metallic alloys#612198eScholarship
• A coincidence velocity map imaging spectrometer for ions and high-energy electrons to study inner-shell photoionization of gas-phase molecules#491948eScholarship
• Testing inhomogeneous solvation theory in structure-based ligand discovery#614724eScholarship
• A Fixed-Charge Model for Alcohol Polarization in the Condensed Phase, and Its Role in Small Molecule Hydration#983597eScholarship
• Small-molecule binding and sensing with a designed protein family#996221eScholarship
• Leveraging unlabeled SEM datasets with self-supervised learning for enhanced particle segmentation#983601eScholarship
• Atomic layer deposition for spacer defined double patterning of sub-10 nm titanium dioxide features#492115eScholarship
• Robust dynamic operation of high temperature electrolysis solid oxide cells#612244eScholarship
• Leveling Up Upconverting Nanoparticles with Machine Learning#922151eScholarship
• Researcher and institutional review board perspectives on the benefits and challenges of reporting back biomonitoring and environmental exposure results#612004eScholarship
• Meta-analysis and open-source database for in vivo brain Magnetic Resonance spectroscopy in health and disease#491788eScholarship
• Structure-based ligand discovery for the Large-neutral Amino Acid Transporter 1, LAT-1#996287eScholarship
• Excited-state vibronic coherences and intramolecular charge transfer dynamics of the photoinactive cyanobacteriochrome NpF2164g5#612238eScholarship
• A Ru265 analogue coordinated to cytotoxic pyrrolidine dithiocarbamate ligands for dual-function anticancer activity#675838eScholarship
• Self-Healing and Anti-CO2 Hydrogels for Flexible Solid-State Zinc-Air Batteries#780604eScholarship
• Effect of O -acetylation on ketene and carbonyl yields from conventional and emerging cannabinoids#814669eScholarship
• Molecular modeling and ligand docking for Solute Carrier (SLC) transporters#996253eScholarship
• Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package#996338eScholarship
• Three-dimensional localization of nanoscale battery reactions using soft X-ray tomography#614654eScholarship
• S = 3 Ground State for a Tetranuclear MnIV 4O4 Complex Mimicking the S3 State of the Oxygen-Evolving Complex#620018eScholarship
• Fabrication of High-Quality Thin Solid-State Electrolyte Films Assisted by Machine Learning#784298eScholarship