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    Disciplines / Research questions

    Chemistry

    92 research topics · 287 questions

    Single-molecule detection in life systems2 questions

    1. Predictive design rules and model-selection criteria for resolving multiple kinetic populations of DNA-binding proteins in live-cell time-lapse single-molecule imaging

    2. Single-molecule detection of freely diffusing cytoplasmic proteins at physiological concentration in living cells using overmilled zero-mode-waveguide nanowells

    NMR analysis of biomacromolecule structures1 questions

    1. Extending fully automated NMR spectra analysis beyond monomeric solution-state proteins: additional restraint types, end-to-end training, and generalization of ARTINA to complexes, RNA, solid-state, and in-cell NMR

    Fundamental issues in the biosynthesis of polymeric materials2 questions

    1. Physiological roles and regulation of the phaC paralog polyhydroxyalkanoate synthases in Haloferax mediterranei

    2. Mechanistic limits of living-bacteria-initiated RAFT polymerization: metabolic control of radical generation, monomer toxicity, blocking efficiency, and cell-recycling variability

    Chiral catalysis1 questions

    1. Predictive structure-property rules and reaction-scope limits for the adjustable axially chiral biphenyl (BIPOL) ligand and catalyst family

    Origin of chirality4 questions

    1. The initiating mechanism of life's homochirality: whether metal-assisted parity-violating autocatalysis dominated, and whether its geochemical prerequisites held on the early Earth

    2. Energy thresholds for directed chiral symmetry breaking in autocatalytic self-replication and the viability of parity-violating seeds of homochirality

    3. Origin of the initial enantiomeric excess behind biological homochirality: which pool — amino acids, sugars, or neither — was enantioenriched first on the early Earth?

    4. Unidentified chiral photoproducts and their stereoselective crystal-growth inhibition mechanism in circularly-polarized-light-directed complete deracemization of N-(2-methylbenzylidene)phenylglycine amide

    Prediction and regulation of spontaneous chiral resolution7 questions

    1. Quantitative physical parameterization and time-resolved experimental validation of the spontaneous mirror symmetry breaking model for Viedma deracemization

    2. Predictive theory and microscopic mechanism of spontaneous single-crystal-to-single-crystal chiral symmetry breaking in single-component molecular crystals

    3. Kinetic prediction of polymorph selection and spontaneous resolution in the crystallization of chiral molecules

    4. Deterministic handedness control of unseeded crystallization-induced deracemization (Viedma ripening and temperature cycling)

    5. Establishing the generality of cocrystallization-induced spontaneous deracemization (CoISD): predictive co-former selection, transferable process models, and one-pot operation

    6. Predicting the Balance Between Enantiospecific Growth Inhibition and Enantiospecific Solid-Solution Formation in Additive-Directed Deracemization of Conglomerates

    7. Disappearing conglomerates: predicting and controlling the switch from conglomerate to racemic-compound crystallization in chiral systems

    Microbial transformation and degradation mechanisms of PPCPs in aquatic environments2 questions

    1. Concentration limits, product fate, and the mechanism of incomplete sulfamethoxazole mineralization by Microbacterium sp. BR1 at environmentally low concentrations

    2. Unidentified non-ammonia-monooxygenase, ATU-sensitive enzymes and their host taxa behind micropollutant biotransformation in nitrifying activated sludge

    Activation of carbon-hydrogen bonds1 questions

    1. When do substituent effects and kinetic isotope effects report on the C–H cleavage step? Mapping kinetic versus thermodynamic control and reversibility in carboxylate-assisted C–H activation

    Activation of carbon-carbon bonds2 questions

    1. Mechanism and Catalytic Turnover in Mild Rhodium(III) Porphyrin Hydroxide Cleavage of the C(CO)–C(α) Bond of Ketones

    2. Catalytic activation of carbon–carbon bonds in unstrained ketones: general scope beyond 3-arylcyclopentanones and detailed mechanistic understanding

    Liquid mixing in microfluidic chips3 questions

    1. Diffusion–advection validity boundary and chemistry generality of submillisecond kinetics measured by fusion of stationary picoliter droplet pairs

    2. Quantitative first-principles description of microsecond inertial mixing in free-flight colliding aqueous microdroplets: impact-parameter dependence, size scaling, and charged droplets

    3. Mechanism and polymorph-specific nucleation kinetics of mixing-controlled polymorph selection in ROY antisolvent crystallization

    Capture, storage, and conversion of greenhouse gases2 questions

    1. Empirical full-scale validation and uncertainty-quantified life-cycle assessment of post-combustion MEA carbon capture and storage retrofitted to municipal solid waste incineration plants

    2. Origin and predictive description of critical rate tuning in muonium and hydrogen-atom addition to alkenes in supercritical carbon dioxide

    Design and synthesis of inorganic ordered porous materials7 questions

    1. Ordered mesoporous non-silica materials with highly crystalline frameworks: a general direct synthesis preserving mesostructural order

    2. A facile, widely reproducible synthesis of materials with simultaneously highly ordered macropores and mesopores, and a mechanistic model of the dual-ordering route with a validation plan

    3. Generalizing the precursor-calcination synthesis of ordered two-dimensional porous transition-metal oxide nanosheets and the transferability of their Li-O2 cathode performance advantages

    4. Porous two- or three-dimensional all-inorganic frameworks built from lacunary molybdovanadate clusters by sequential synthesis

    5. Hydrolysis-rate control in dual-templated synthesis of 3D ordered hierarchical metal oxides: quantitative parameter map and mechanism

    6. Mechanistic control and compositional scope of assembly-based nanoparticle coalescence into ordered mesoporous metals

    7. Generalizing Solvent-Free Self-Assembly Synthesis of Ordered Mesoporous Polymers to Precursors Immobile at the Curing Temperature and to Low-Reactivity Monomers

    Quantification of intercellular signal transduction3 questions

    1. Generalizing the secrete-and-sense phase-diagram framework to spatially structured and natural cell populations

    2. Whether cells speak the same language: generalizing quantitative multivariate models of cell-cell communication to sender cell types beyond dendritic cells

    3. Information transfer through glycan-lectin communication channels: primary-cell validation, the dectin-2 noise mechanism, and modulating channel capacity

    Discovery and early analysis detection of small-molecule tumor markers4 questions

    1. Validating dichloromethane-doping-assisted low-pressure photoionization mass spectrometry as a real-time breath test for lung cancer screening

    2. Validation, clinical utility, and mechanistic basis of NMR blood metabolomics as a cancer-detection test for patients with nonspecific symptoms

    3. Clinical validation and mechanistic grounding of simplified NMR-based serum and urine metabolite panels for early detection of esophageal squamous cell carcinoma

    4. A validated panel of breath volatile organic compound biomarkers for lung cancer, with standardized breathomics methodology and prospective multicenter early-detection validation

    Novel dye-sensitized solar cells1 questions

    1. Interfacial Mechanisms and Co-Mediator Transport in Xanthan-Gelled Truly Aqueous Dye-Sensitized Solar Cells

    Organic molecule magnets2 questions

    1. Microscopic origin of the internal fields and temperature-dependent ordered structure in the chiral organic ferromagnet DNPNN

    2. Rational design and switching kinetics of discrete organic diradicals with intramolecularly driven magnetic bistability

    Intelligent and targeted medical polymers2 questions

    1. Translational robustness of cathepsin B-responsive, gadolinium-labeled branched glycopolymer-paclitaxel nanotheranostics: cathepsin B-expression dependence across tumor types and gadolinium safety under repeated dosing and renal impairment

    2. Mechanistic origin of the T1 relaxivity enhancement and long-term gadolinium fate of the enzyme-sensitive biodegradable pHPMA-Gd-PTX-Cy5.5 theranostic nanomedicine

    Intelligent coordination polymer molecular materials5 questions

    1. Quantitative structure-mechanism relationship and compositional transferability of multi-mode photoactuation in the one-dimensional Pb(II) coordination polymer [PbBr2(3F-spy)2]

    2. Guest-induced on–off switching of elastic frustration in the interpenetrated Hofmann spin-crossover framework {FeII(3,8-phen)[Au(CN)2]2}⋅x PhNO2\{\mathrm{Fe}^{\mathrm{II}}(3,8\text{-phen})[\mathrm{Au}(\mathrm{CN})_2]_2\}\cdot x\,\mathrm{PhNO}_2: intermediate-state structure and switching-barrier energetics of the guest-wedge mechanism

    3. Atomic-level structure of the irreversible high-temperature thermochromic product 1Z of the Cd(II)-viologen coordination polymer [Cd(cbbpy)Cl2]·3.5H2O, and the reversibility limits of its dehydration–rehydration state cascade

    4. Quantitative mechanism of the selective soft-X-ray-induced electron-transfer chromism in the manganese viologen kagome-dual coordination polymer [Mn3Cl4(tpptb)2]·Cl2·(H2O)2

    5. Generalizing the reversible-covalent-linkage strategy in coordination-polymer-templated solid-state [2+2] cycloaddition beyond amide bonds

    Selective control of radicals and carbenes3 questions

    1. Quantitative mechanistic partitioning in the photoredox-initiated radical chain addition of silyl ketene acetals to α,β-unsaturated carbonyls: chain versus Lewis-acid pathways, chain-propagated versus photocatalyst-cycled turnover, and the electron-transfer barriers underlying chemo-/regioselectivity

    2. Open core of iron- and manganese-pytacn-catalyzed arene C(sp²)–H functionalization by carbene insertion: uncharacterized active species and metallocarbene, unexplained regioselectivity and electron-poor-arene deactivation, and unproven scope beyond ethyl diazoacetate

    3. Quantitative origin and prediction of regioselectivity in intramolecular C−H insertion of alkylidene carbenes: partitioning oxygen-stereoelectronic, inductive, and steric control

    In situ dynamic detection of radicals and regulation of cell function research4 questions

    1. Unresolved limitations of the MitoNeoD superoxide probe class: oxidant specificity, non-mitochondrial compartments, dimeric side products, and non-destructive in vivo quantification

    2. Bridging real-time electrode measurements of mitochondrial superoxide in isolated organelles to in-situ cellular superoxide dynamics

    3. Spatially faithful detection of mitochondrial highly reactive oxygen species (hROS): membrane-potential-independent probe retention and the unresolved sources and functional roles of mitochondrial hROS in living cells

    4. Enzymatic and subcellular source(s) of the superoxide burst upon reperfusion in hepatocytes: identifying and validating the origin of the O2•− signal first visualized by reversible fluorescence imaging

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