「chemistry」の検索結果

States of matter, phase transitions, kinetic molecular theory, atmospheric chemistry, green chemistry, and sustainable synthesis. Covers solid/liquid/gas/plasma properties, phase diagrams, vapor pressure, gas laws, ozone chemistry, greenhouse effect, the 12 principles of green chemistry, atom economy, solvent selection, and catalysis for sustainability. Use when reasoning about material properties, environmental chemistry, or designing greener chemical processes.

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Expert-level physical chemistry knowledge. Use when working with thermodynamics, chemical kinetics, quantum chemistry, statistical mechanics, spectroscopy, electrochemistry, or surface chemistry. Also use when the user mentions 'Gibbs energy', 'equilibrium constant', 'reaction kinetics', 'rate law', 'activation energy', 'Arrhenius', 'partition function', 'Schrodinger equation', 'molecular orbital', 'electrochemistry', 'Nernst equation', or 'surface adsorption'.

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Carbon chemistry, functional groups, IUPAC nomenclature, isomerism, reaction mechanisms (substitution, elimination, addition), polymers, and biochemistry basics. Covers hydrocarbon classes (alkanes, alkenes, alkynes, aromatics), common functional groups (alcohols, aldehydes, ketones, carboxylic acids, esters, amines, amides), stereochemistry, condensation and addition polymerization, and the four biomolecule classes (carbohydrates, lipids, proteins, nucleic acids). Use when analyzing organic structures, predicting reaction products, or connecting chemistry to biology.

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Expert-level inorganic chemistry knowledge. Use when working with coordination chemistry, transition metals, crystal field theory, organometallics, main group chemistry, solid state chemistry, acid-base theory, or inorganic reaction mechanisms. Also use when the user mentions 'coordination complex', 'ligand', 'crystal field', 'transition metal', 'oxidation state', 'organometallic', 'Lewis acid', 'VSEPR', 'symmetry', 'point group', 'solid state', or 'catalysis'.

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Inorganic chemistry, physical chemistry, and materials science — crystal structures, coordination chemistry, lattice parameters, thermodynamic properties, electronic structure. Use for unit cell volume calculations, coordination geometry, materials property estimation, and inorganic-mechanism reasoning. Complementary to tooluniverse-organic-chemistry.

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Cloud-based quantum chemistry platform with Python API. Preferred for computational chemistry workflows including pKa prediction, geometry optimization, conformer searching, molecular property calculations, protein-ligand docking (AutoDock Vina), and AI protein cofolding (Chai-1, Boltz-1/2). Use when tasks involve quantum chemistry calculations, molecular property prediction, DFT or semiempirical methods, neural network potentials (AIMNet2), protein-ligand binding predictions, or automated computational chemistry pipelines. Provides cloud compute resources with no local setup required.

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Chemical equilibrium, chemical kinetics, and electrochemistry — the quantitative core of physical chemistry. Covers equilibrium constants (Keq, Kc, Kp), Le Chatelier's principle, ICE tables, buffers and the Henderson-Hasselbalch equation, solubility product (Ksp) and the common-ion effect, rate laws, reaction order, integrated rate laws, half-life, the Arrhenius equation and activation energy, catalysis, redox reactions, galvanic and electrolytic cells, standard cell potentials, and the Nernst equation. Use when solving quantitative problems about how far a reaction goes (equilibrium), how fast it goes (kinetics), or how it converts chemical energy to electrical energy (electrochemistry).

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Balancing chemical equations, reaction classification, stoichiometric calculations, acid-base chemistry, oxidation-reduction (redox) reactions, and thermochemistry. Covers conservation of mass, mole ratios, limiting reagents, percent yield, Bronsted-Lowry and Lewis acid-base theory, pH calculations, oxidation states, half-reaction balancing, enthalpy, Hess's law, and calorimetry. Use when solving quantitative chemistry problems involving reactions, energy changes, or solution chemistry.

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Expert-level organic chemistry knowledge. Use when working with organic reactions, mechanisms, functional groups, stereochemistry, synthesis planning, spectroscopy, or named reactions. Also use when the user mentions 'organic reaction', 'mechanism', 'functional group', 'stereochemistry', 'synthesis', 'NMR', 'IR spectroscopy', 'SN1', 'SN2', 'elimination', 'addition', 'aromatic', 'carbonyl', or 'named reaction'.

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Expert-level green chemistry knowledge. Use when working with sustainable synthesis, atom economy, solvent selection, catalysis, renewable feedstocks, waste reduction, life cycle assessment, or the 12 principles of green chemistry. Also use when the user mentions 'atom economy', 'E-factor', 'green solvent', 'catalysis', 'renewable feedstock', 'waste minimization', 'sustainable chemistry', 'life cycle assessment', 'PMI', 'solvent selection guide', or 'benign by design'.

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Use when targeting Food Chemistry or deciding whether a food-chemistry manuscript fits this venue. Encodes the journal's fit, the analytical-rigor and chemical-mechanism bar, method-validation expectations, house style, official-submission re-check, and desk-reject heuristics.

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Nature-style chemistry manuscript reviewer skill for testing synthesis, catalysis, chemical biology, molecular/materials chemistry and analytical claims against identity, purity, controls, selectivity, mechanism, scope, reproducibility and quantitative comparison.

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Formulate a quantum mechanics or quantum chemistry problem with proper mathematical framework including Hilbert space, operators, boundary conditions, and approximation method selection. Use when setting up a quantum mechanics problem for analytic or numerical solution, formulating a quantum chemistry calculation, translating a physical scenario into the Schrodinger or Dirac formalism, or choosing between perturbation theory, variational methods, DFT, and exact diagonalization.

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Chemistry expert covering organic, inorganic, physical chemistry, lab safety, and experimental techniques

日本語の概要は準備中です。原文の説明を表示しています。

Practical computational and experimental chemistry workflows — cheminformatics, quantum chemistry, kinetics, and analytical methods.

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Expert-level computational chemistry knowledge. Use when working with molecular dynamics, density functional theory, force fields, quantum chemistry calculations, molecular docking, free energy calculations, or cheminformatics. Also use when the user mentions 'DFT', 'molecular dynamics', 'force field', 'AMBER', 'GROMACS', 'Gaussian', 'basis set', 'geometry optimization', 'molecular docking', 'free energy perturbation', 'QSAR', or 'cheminformatics'.

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Expert-level biochemistry from a biology perspective covering metabolic pathways, enzyme kinetics, bioenergetics, signal transduction, and the biochemical basis of cellular processes.

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Expert-level analytical chemistry knowledge. Use when working with chromatography, spectroscopy, electroanalytical methods, sample preparation, quantitative analysis, calibration, statistics, or instrumental analysis. Also use when the user mentions 'HPLC', 'GC', 'mass spectrometry', 'atomic absorption', 'ICP', 'titration', 'calibration curve', 'detection limit', 'NMR', 'chromatography', 'electrochemistry', 'sample preparation', or 'method validation'.

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Detects m6A modifications from Oxford Nanopore direct-RNA-sequencing (ONT DRS) signal data using m6Anet (Hendra 2022 *Nat Methods* 19:1590; multiple-instance-learning neural network over DRACH 5-mer signal). Covers the required upstream pipeline (Dorado / Guppy basecalling -> minimap2 transcriptome alignment with `-ax map-ont -uf -k14 --secondary=no` -> nanopolish eventalign with `--scale-events --signal-index` (m6Anet-required) plus `--summary` / `--threads` housekeeping -> m6anet dataprep -> m6anet inference), per-site vs per-read probability interpretation including the `mod_ratio` per-site stoichiometry column, the DRACH-only modeling constraint, minimum-coverage thresholds (20-50 reads per site for stable probability estimates), multi-condition comparison via xPore (Pratanwanich 2021 *Nat Biotechnol* 39:1394), Nanocompore (Leger 2021 *Nat Commun* 12:7198), ELIGOS (Jenjaroenpun 2021 *NAR* 49:e7), and Dorado native modification calling (RNA004 chemistry, 2024+), reference-transcriptome version pinning, the cDNA-vs-DRS chemistry distinction (cDNA-Nanopore CANNOT be used for modification detection), and orthogonal validation against MeRIP / GLORI. Use when calling m6A from ONT DRS without immunoprecipitation, choosing m6Anet vs xPore vs Nanocompore vs ELIGOS vs Dorado native, interpreting per-site `probability_modified` vs `mod_ratio` vs per-read modification probabilities, comparing methylation between conditions from ONT data, deciding between m6Anet for known DRACH sites and Dorado/Remora for genome-wide screening, pinning RNA002 vs RNA004 chemistry and basecaller model versions, or troubleshooting eventalign / dataprep failures.

日本語の概要は準備中です。原文の説明を表示しています。

Download, screen, and map non-North-America auxiliary EcoSIM climate variables from global or regional atmospheric-chemistry data sources. Use when a non-US/non-NLDAS site needs annual EcoSIM precipitation chemistry variables such as PHRG, CN4RIG, CNORIG, CSORG, CCARG, CMGRG, CNARG, CKARG, or CCLRG; when deciding whether to use CAMS, EBAS, EANET, or MERRA-2; or when deriving site-specific auxiliary variables after ERA5 climate forcing has been prepared.

日本語の概要は準備中です。原文の説明を表示しています。

Detects m6A modifications from Oxford Nanopore direct-RNA-sequencing (ONT DRS) signal data using m6Anet (Hendra 2022 *Nat Methods* 19:1590; multiple-instance-learning neural network over DRACH 5-mer signal). Covers the required upstream pipeline (Dorado / Guppy basecalling -> minimap2 transcriptome alignment with `-ax map-ont -uf -k14 --secondary=no` -> nanopolish eventalign with `--scale-events --signal-index` (m6Anet-required) plus `--summary` / `--threads` housekeeping -> m6anet dataprep -> m6anet inference), per-site vs per-read probability interpretation including the `mod_ratio` per-site stoichiometry column, the DRACH-only modeling constraint, minimum-coverage thresholds (20-50 reads per site for stable probability estimates), multi-condition comparison via xPore (Pratanwanich 2021 *Nat Biotechnol* 39:1394), Nanocompore (Leger 2021 *Nat Commun* 12:7198), ELIGOS (Jenjaroenpun 2021 *NAR* 49:e7), and Dorado native modification calling (RNA004 chemistry, 2024+), reference-transcriptome version pinning, the cDNA-vs-DRS chemistry distinction (cDNA-Nanopore CANNOT be used for modification detection), and orthogonal validation against MeRIP / GLORI. Use when calling m6A from ONT DRS without immunoprecipitation, choosing m6Anet vs xPore vs Nanocompore vs ELIGOS vs Dorado native, interpreting per-site `probability_modified` vs `mod_ratio` vs per-read modification probabilities, comparing methylation between conditions from ONT data, deciding between m6Anet for known DRACH sites and Dorado/Remora for genome-wide screening, pinning RNA002 vs RNA004 chemistry and basecaller model versions, or troubleshooting eventalign / dataprep failures.

日本語の概要は準備中です。原文の説明を表示しています。

Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use for pKa and macropKa prediction, conformer and tautomer ensembles, docking and analogue docking, protein-ligand cofolding, MSA generation, molecular dynamics, permeability, descriptor workflows, and related small-molecule or protein modeling tasks. Ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure.

日本語の概要は準備中です。原文の説明を表示しています。

Solves seawater carbonate chemistry with PyCO2SYS for chemical oceanography, ocean acidification, and marine carbon-cycle research. Use for paired total alkalinity, dissolved inorganic carbon, pH, or seawater pCO2/fCO2 measurements; carbonate speciation; aragonite and calcite saturation; Revelle factors; lab-to-in-situ temperature and pressure corrections; and measurement uncertainty propagation. Applies to carbonate-system calculations, not general aqueous speciation or air-sea gas-flux estimation.

日本語の概要は準備中です。原文の説明を表示しています。

Use when targeting Soil Biology & Biochemistry or deciding whether a soil-science manuscript fits this venue. Encodes the journal's fit, the soil-process-mechanism bar, evidence and data-reporting expectations, house style, official-submission re-check, and desk-reject heuristics.

日本語の概要は準備中です。原文の説明を表示しています。