University of Chicago
Chemistry

Recent papers

Transcriptome-wide profiling and quantification of N 6 -methyladenosine by enzyme-assisted adenosine deamination
Nature Biotechnology 2023.
Spatial Chemoproteomics for Mapping the Active Proteome
Israel Journal of Chemistry 2023.
Polymer infiltration synthesis of inorganic nanoporous coatings: Does polymer template affect their properties?
Surface and Coatings Technology 2023, 452.
Surface passivation of intensely luminescent all-inorganic nanocrystals and their direct optical patterning
Nature Communications 2023, 14 (1).
Research Group-Led Undergraduate Research Program: Analyzing and Improving a Versatile Springboard for First-Year Undergraduates
Journal of Chemical Education 2022, 99 (2), 799–809.
Trade-offs between Translational and Orientational Order in 2D Superlattices of Polygonal Nanocrystals with Differing Edge Count
Nano Letters 2022, 22 (1), 389–395.
Linker Redox Mediated Control of Morphology and Properties in Semiconducting Iron-Semiquinoid Coordination Polymers**
Angewandte Chemie - International Edition 2022, 61 (45).
Heteroatom substitution for the development of near-IR lumiphores
Trends in Chemistry 2022.
Donor-Acceptor Conjugated Copolymers Containing Transition-Metal Complex: Intrachain Magnetic Exchange Interactions and Magneto-Optical Activity
Chemistry of Materials 2022, 34 (12), 5740–5747.
Interplay of Electronic and Geometric Structure Tunes Organic Biradical Character in Bimetallic Tetrathiafulvalene Tetrathiolate Complexes
Journal of Physical Chemistry A 2022, 126 (21), 3329–3337.
Cobalt-Catalyzed Hydrogenation Reactions Enabled by Ligand-Based Storage of Dihydrogen
ACS Catalysis 2022, 12 (16), 9933–9943.
Generation and Aerobic Oxidative Catalysis of a Cu(II) Superoxo Complex Supported by a Redox-Active Ligand
Journal of the American Chemical Society 2022.
Bright, Modular, and Switchable Near-Infrared II Emission from Compact Tetrathiafulvalene-Based Diradicaloid Complexes
Journal of the American Chemical Society 2022, 144 (36), 16447–16455.
Presynthetic Redox Gated Metal-to-Insulator Transition and Photothermoelectric Properties in Nickel Tetrathiafulvalene-Tetrathiolate Coordination Polymers
Journal of the American Chemical Society 2022, 144 (41), 19026–19037.
Intrinsic glassy-metallic transport in an amorphous coordination polymer
Nature 2022, 611 (7936), 479–484.
Electrostatic vs. inductive effects in phosphine ligand donor properties and reactivity
Chemical Science 2022, 13 (15), 4377–4387.
A cobalt adduct of an N-hydroxy-piperidinium cation
Journal of Coordination Chemistry 2022, 75 (11-14), 1853–1864.
Methods for the directed evolution of biomolecular interactions
Trends in Biochemical Sciences 2022, 47 (5), 403–416.
Development of Mild Chemical Catalysis Conditions for m 1 A-to-m 6 A Rearrangement on RNA
ACS Chemical Biology 2022, 17 (6), 1334–1342.
A High-Throughput Fluorescent Turn-On Assay for Inhibitors of DHHC Family Proteins
ACS Chemical Biology 2022.
Charting the Chemical Space of Acrylamide-Based Inhibitors of zDHHC20
ACS Medicinal Chemistry Letters 2022, 13 (10), 1648–1654.
Dysregulated mitochondrial and cytosolic tRNA m1A methylation in Alzheimer's disease
Human Molecular Genetics 2022, 31 (10), 1673–1680.
Cannabidiol inhibits SARS-CoV-2 replication through induction of the host ER stress and innate immune responses
Science Advances 2022, 8 (8).
Cln5 represents a new type of cysteine-based S-depalmitoylase linked to neurodegeneration
Science Advances 2022, 8 (15).
CASowary: CRISPR-Cas13 guide RNA predictor for transcript depletion
BMC Genomics 2022, 23 (1).
Trypanosoma brucei Acyl-Protein Thioesterase-like (TbAPT-L) Is a Lipase with Esterase Activity for Short and Medium-Chain Fatty Acids but Has No Depalmitoylation Activity
Pathogens 2022, 11 (11).
Computing transition path theory quantities with trajectory stratification
Journal of Chemical Physics 2022, 157 (3).
Augmented transition path theory for sequences of events
Journal of Chemical Physics 2022, 157 (9).
KidA, a multi-PAS domain protein, tunes the period of the cyanobacterial circadian oscillator
Proceedings of the National Academy of Sciences of 2022, 119 (37).
Thermodynamic Control of Activity Patterns in Cytoskeletal Networks
Physical Review Letters 2022, 129 (12).
Rapid Access to Multisubstituted Acrylamides from Cyclic Ketones via Palladium/Norbornene Cooperative Catalysis
Angewandte Chemie - International Edition 2022.
Rhodium-Catalyzed (4+1) Cycloaddition between Benzocyclobutenones and Styrene-Type Alkenes
Angewandte Chemie - International Edition 2022.
Deconstructive Synthesis of Bridged and Fused Rings via Transition-Metal-Catalyzed "cut-and-Sew" Reactions of Benzocyclobutenones and Cyclobutanones
Accounts of Chemical Research 2022, 55 (16), 2341–2354.
Intramolecular One-Carbon Homologation of Unstrained Ketones via C-C Activation-Enabled 1,1-Insertion of Alkenes
Organic Letters 2022, 24 (12), 2436–2440.
Photoinduced Desaturation of Amides by Palladium Catalysis
Organic Letters 2022, 24 (35), 6460–6465.
Catalytic Activation of Unstrained C(Aryl)-C(Alkyl) Bonds in 2,2′-Methylenediphenols
Journal of the American Chemical Society 2022, 144 (7), 3242–3249.
Programmable Ether Synthesis Enabled by Oxa-Matteson Reaction
Journal of the American Chemical Society 2022.
Catalytic Enantioselective Synthesis of γ-Lactams with β-Quaternary Centers via Merging of C-C Activation and Sulfonyl Radical Migration
Journal of the American Chemical Society 2022.
Site-Specific and Degree-Controlled Alkyl Deuteration via Cu-Catalyzed Redox-Neutral Deacylation
Journal of the American Chemical Society 2022, 144 (22), 9570–9575.
Programmable Fabrication of Monodisperse Graphene Nanoribbons via Deterministic Iterative Synthesis
Journal of the American Chemical Society 2022, 144 (35), 16012–16019.
Rhodium-Catalyzed Diastereo- and Enantioselective Divergent Annulations between Cyclobutanones and 1,5-Enynes: Repaid Construction of Complex C(sp 3 )-Rich Scaffolds
Journal of the American Chemical Society 2022.
Iridium-Catalyzed Intramolecular β-C-H Alkenylation of Ketones with Alkynes via a Hydride-Transfer Approach
Journal of the American Chemical Society 2022, 144 (50), 23230–23238.
Leveraging Dynamical Symmetries in Two-Dimensional Electronic Spectra to Extract Population Transfer Pathways
Journal of Physical Chemistry A 2022, 126 (22), 3594–3603.
Light-Driven Hydrodefluorination of Electron-Rich Aryl Fluorides by an Anionic Rhodium-Gallium Photoredox Catalyst
Angewandte Chemie - International Edition 2022, 61 (42).
Multireference Methods are Realistic and Useful Tools for Modeling Catalysis
Israel Journal of Chemistry 2022, 62 (1-2).
Discovery of spontaneous de-interpenetration through charged point-point repulsions
Chem 2022, 8 (1), 225–242.
Investigating the effect of metal nuclearity on activity for ethylene hydrogenation by metal-organic-framework-supported oxy-Ni(II) catalysts
Journal of Catalysis 2022, 407, 162–173.
Metal-organic framework supported single-site nickel catalysts for butene dimerization
Journal of Catalysis 2022, 413, 176–183.
Role of Metal Selection in the Radiation Stability of Isostructural M-UiO-66 Metal-Organic Frameworks
Chemistry of Materials 2022.
Unsaturated Sulfur Crown Ethers Can Extract Mercury(II) and Show Promise for Future Copernicium(II) Studies: A Combined Experimental and Computational Study
Inorganic Chemistry 2022, 61 (2), 807–817.
Leveraging Nitrogen Linkages in the Formation of a Porous Thorium-Organic Nanotube Suitable for Iodine Capture
Inorganic Chemistry 2022, 61 (25), 9480–9492.
Nonadiabatic Molecular Dynamics by Multiconfiguration Pair-Density Functional Theory
Journal of Chemical Theory and Computation 2022, 18 (2), 614–622.
Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory
Journal of Chemical Theory and Computation 2022, 18 (4), 2199–2207.
Exact-Two-Component Multiconfiguration Pair-Density Functional Theory
Journal of Chemical Theory and Computation 2022.
Localized Quantum Chemistry on Quantum Computers
Journal of Chemical Theory and Computation 2022.
Localized Active Space-State Interaction: A Multireference Method for Chemical Insight
Journal of Chemical Theory and Computation 2022, 18 (11), 6557–6566.
Large-Scale Benchmarking of Multireference Vertical-Excitation Calculations via Automated Active-Space Selection
Journal of Chemical Theory and Computation 2022, 18 (10), 6065–6076.
Six Months as Editor-in-Chief of JCTC: A Reflection
Journal of Chemical Theory and Computation 2022, 18 (8), 4599–4600.
Multiconfiguration Pair-Density Functional Theory Calculations of Iron(II) Porphyrin: Effects of Hybrid Pair-Density Functionals and Expanded RAS and DMRG Active Spaces on Spin-State Orderings
Journal of Physical Chemistry A 2022.
Multireference Study of Optically Addressable Vanadium-Based Molecular Qubit Candidates
Journal of Physical Chemistry A 2022, 126 (36), 6329–6335.
Periodic Density Matrix Embedding for CO Adsorption on the MgO(001) Surface
Journal of Physical Chemistry Letters 2022, 13 (32), 7483–7489.
Mechanism of Methanol Dehydration Catalyzed by Al 8 O 12 Nodes Assisted by Linker Amine Groups of the Metal-Organic Framework CAU-1
ACS Catalysis 2022, 12 (20), 12845–12859.
The Role of Excited States of LNi II/III (Aryl)(Halide) Complexes in Ni-Halide Bond Homolysis in the Arylation of C sp3 -H Bonds
ACS Catalysis 2022, 12 (21), 13215–13224.
Photocatalytic Biocidal Coatings Featuring Zr 6 Ti 4 -Based Metal-Organic Frameworks
Journal of the American Chemical Society 2022, 144 (27), 12192–12201.
Sulfated Zirconium Metal-Organic Frameworks as Well-Defined Supports for Enhancing Organometallic Catalysis
Journal of the American Chemical Society 2022, 144 (37), 16883–16897.
Node Distortion as a Tunable Mechanism for Negative Thermal Expansion in Metal-Organic Frameworks
Journal of the American Chemical Society 2022.
Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits
Journal of the American Chemical Society 2022, 2 (9), 2029–2037.
Electron transitions in a Ce(iii)-catecholate metal-organic framework
Chemical Communications 2022, 58 (4), 525–528.
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
Physical Chemistry Chemical Physics 2022.
Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory
Chemical Science 2022.
One-electron bonds in copper-aluminum and copper-gallium complexes
Chemical Science 2022, 13 (22), 6525–6531.
Analytic gradients for compressed multistate pair-density functional theory
Molecular Physics 2022.
Twisted A-D-A Type Acceptors with Thermally-Activated Delayed Crystallization Behavior for Efficient Nonfullerene Organic Solar Cells
Advanced Energy Materials 2022.
Determining the Oxygen Stoichiometry of Cobaltite Thin Films
Chemistry of Materials 2022, 34 (5), 2076–2084.
Green's Function Formulation of Quantum Defect Embedding Theory
Journal of Chemical Theory and Computation 2022.
Computational Protocol to Evaluate Electron-Phonon Interactions Within Density Matrix Perturbation Theory
Journal of Chemical Theory and Computation 2022, 18 (10), 6031–6042.
Understanding the Effect of Lead Iodide Excess on the Performance of Methylammonium Lead Iodide Perovskite Solar Cells
ACS Energy Letters 2022.
Influence of Excess Charge on Water Adsorption on the BiVO 4 (010) Surface
Journal of the American Chemical Society 2022, 144 (37), 17173–17185.
Vibrationally resolved optical excitations of the nitrogen-vacancy center in diamond
npj Computational Materials 2022, 8 (1).
Quantum embedding theories to simulate condensed systems on quantum computers
Nature Computational Science 2022, 2 (7), 424–432.
Quantum simulations of thermally activated delayed fluorescence in an all-organic emitter
Physical Chemistry Chemical Physics 2022, 24 (17), 10101–10113.
Photoelectron spectra of water and simple aqueous solutions at extreme conditions
Faraday Discussions 2022, 236, 352–363.
Quantum materials for energy-efficient neuromorphic computing: Opportunities and challenges
APL Materials 2022, 10 (7).
Generalized scaling of spin qubit coherence in over 12,000 host materials
Proceedings of the National Academy of Sciences of 2022, 119 (15).
Influence of nuclear quantum effects on the electronic properties of amorphous carbon
Proceedings of the National Academy of Sciences of 2022, 119 (31).
Enhancing Spin Coherence in Optically Addressable Molecular Qubits through Host-Matrix Control
Physical Review X 2022, 12 (3).
Simulating the Electronic Structure of Spin Defects on Quantum Computers
PRX Quantum 2022, 3 (1).
Five-second coherence of a single spin with single-shot readout in silicon carbide
Science Advances 2022, 8 (5).
Thermodynamic Limits to HgTe Quantum Dot Infrared Detector Performance
Journal of Electronic Materials 2022, 51 (3), 1428–1435.
Extracting Bulk-like Semiconductor Parameters from the Characterization of Colloidal Quantum Dot Film Photoconductors
Journal of Physical Chemistry C 2022, 126 (40), 17196–17203.
Mid-infrared HgTe Colloidal Quantum Dot LEDs
ACS Nano 2022.
Magnetoresistance of high mobility HgTe quantum dot films with controlled charging
Journal of Materials Chemistry C 2022, 10 (37), 13771–13777.
Ex vivo gliadin stimulation of intestinal cells
Methods in cell biology 2022.
METTL3 Regulates Liver Homeostasis, Hepatocyte Ploidy, and Circadian Rhythm–Controlled Gene Expression in Mice
American Journal of Pathology 2022, 192 (1), 56–71.
N 6 -adenomethylation of GsdmC is essential for Lgr5 + stem cell survival to maintain normal colonic epithelial morphogenesis
Developmental Cell 2022, 57 (16).
The METTL5-TRMT112 N6-methyladenosine methyltransferase complex regulates mRNA translation via 18S rRNA methylation
Journal of Biological Chemistry 2022, 298 (3).
Decoding pseudouridine: an emerging target for therapeutic development
Trends in Pharmacological Sciences 2022, 43 (6), 522–535.
Detection of m 6 A RNA modifications at single-nucleotide resolution using m 6 A-selective allyl chemical labeling and sequencing
STAR Protocols 2022, 3 (4).
ACS Chemical Biology─2022 Editorial Statement
ACS Chemical Biology 2022, 17 (1), 1–0.
M 7 G-quant-seq: Quantitative Detection of RNA Internal N 7 -Methylguanosine
ACS Chemical Biology 2022.
BID-seq: The Quantitative and Base-Resolution Sequencing Method for RNA Pseudouridine
ACS Chemical Biology 2022.
Novel evidence for m 6 A methylation regulators as prognostic biomarkers and FTO as a potential therapeutic target in gastric cancer
British Journal of Cancer 2022, 126 (2), 228–237.
The m 6 A methyltransferase METTL3 regulates muscle maintenance and growth in mice
Nature Communications 2022, 13 (1).
METTL16 exerts an m 6 A-independent function to facilitate translation and tumorigenesis
Nature 2022, 24 (2), 205–216.
m 6 A RNA modifications are measured at single-base resolution across the mammalian transcriptome
Nature Biotechnology 2022.
Quantitative sequencing using BID-seq uncovers abundant pseudouridines in mammalian mRNA at base resolution
Nature Biotechnology 2022.
Author Correction: m 6 A RNA modifications are measured at single-base resolution across the mammalian transcriptome (Nature Biotechnology, (2022), 40, 8, (1210-1219), 10.1038/s41587-022-01243-z)
Nature Biotechnology 2022.
A fungal dioxygenase CcTet serves as a eukaryotic 6mA demethylase on duplex DNA
Nature Chemical Biology 2022.
KAS-seq: genome-wide sequencing of single-stranded DNA by N 3 -kethoxal–assisted labeling
Nature Protocols 2022, 17 (2), 402–420.
m 6 A-SAC-seq for quantitative whole transcriptome m 6 A profiling
Nature Protocols 2022.
5-methylcytosine (m 5 C) RNA modification controls the innate immune response to virus infection by regulating type I interferons
Proceedings of the National Academy of Sciences of 2022, 119 (42).
spKAS-seq reveals R-loop dynamics using low-input materials by detecting single-stranded DNA with strand specificity
Science Advances 2022, 8 (48).
FTO mediates LINE1 m 6 A demethylation and chromatin regulation in mESCs and mouse development
Science 2022, 376 (6596).
Gluten-induced RNA methylation changes regulate intestinal inflammation via allele-specific XPO1 translation in epithelial cells
Gut 2022, 71 (1), 68–77.
The 5-Hydroxymethylcytosine Landscape of Prostate Cancer
Cancer Research 2022, 82 (21), 3888–3902.
The chromatin organization of a chlorarachniophyte nucleomorph genome
Genome Biology 2022, 23 (1).
METTL4-mediated nuclear N6-deoxyadenosine methylation promotes metastasis through activating multiple metastasis-inducing targets
Genome Biology 2022, 23 (1).
Utility of Perioperative Measurement of Cell-Free DNA and Circulating Tumor DNA in Informing the Prognosis of GI Cancers: A Systematic Review
JCO Precision Oncology 2022.
5-Hydroxymethylcytosine Signatures in Circulating Cell-Free DNA as Early Warning Biomarkers for COVID-19 Progression and Myocardial Injury
Frontiers in Cell and Developmental Biology 2022, 9.
Targeting FTO Suppresses Pancreatic Carcinogenesis via Regulating Stem Cell Maintenance and EMT Pathway
Cancers 2022, 14 (23).
Nanoimaging of the Edge-Dependent Optical Polarization Anisotropy of Black Phosphorus
Nano Letters 2022, 22 (8), 3180–3186.
Accurate phase detection in time-domain heterodyne SFG spectroscopy
Optics Express 2022, 30 (21), 39162–39174.
The evolution of organellar calcium mapping technologies
Cell Calcium 2022, 108.
A Synthetic Cycle for Heteroarene Synthesis by Nitride Insertion**
Angewandte Chemie - International Edition 2022, 61 (46).
C−C Coupling through Nitrogen Deletion: Application to Library Synthesis
Chemistry - A European Journal 2022.
Unified Access to Pyrimidines and Quinazolines Enabled by N-N Cleaving Carbon Atom Insertion
Journal of the American Chemical Society 2022, 144 (42), 19258–19264.
Direct Deaminative Functionalization
Journal of the American Chemical Society 2022.
Erratum: Direct Deamination of Primary Amines via Isodiazene Intermediates (J. Am. Chem. Soc. (2021) 143: 42 (17366-17373) DOI: 10.1021/jacs.1c09779)
Journal of the American Chemical Society 2022.
Author Correction: Skeletal editing through direct nitrogen deletion of secondary amines (Nature, (2021), 593, 7858, (223-227), 10.1038/s41586-021-03448-9)
Nature 2022, 608 (7921).
Scaffold hopping by net photochemical carbon deletion of azaarenes
Science 2022, 376 (6592), 527–532.
A 2D Nanoradiosensitizer Enhances Radiotherapy and Delivers STING Agonists to Potentiate Cancer Immunotherapy
Advanced Materials 2022.
Dimethylaminomicheliolide Sensitizes Cancer Cells to Radiotherapy for Synergistic Combination with Immune Checkpoint Blockade
Advanced Therapeutics 2022, 5 (1).
Tumor-Activatable Nanoparticles Target Low-Density Lipoprotein Receptor to Enhance Drug Delivery and Antitumor Efficacy
Advanced Science 2022.
Monte Carlo Simulation-Guided Design of a Thorium-Based Metal–Organic Framework for Efficient Radiotherapy-Radiodynamic Therapy
Angewandte Chemie - International Edition 2022, 61 (46).
Corrigendum: A Nanoscale Metal–Organic Framework to Mediate Photodynamic Therapy and Deliver CpG Oligodeoxynucleotides to Enhance Antigen Presentation and Cancer Immunotherapy, (Angew. Chem. Int. Ed,
Angewandte Chemie - International Edition 2022, 61 (41).
Co-delivery of dihydroartemisinin and pyropheophorbide-iron elicits ferroptosis to potentiate cancer immunotherapy
Biomaterials 2022, 280.
TLR3 agonist nanoscale coordination polymer synergizes with immune checkpoint blockade for immunotherapy of cancer
Biomaterials 2022, 290.
A chiral covalent-organic framework for asymmetric photooxidation in water
Chem Catalysis 2022, 2 (11), 2820–2822.
Light-driven proton transport across liposomal membranes enabled by Janus metal-organic layers
Chem 2022, 8 (2), 450–464.
Nanoscale metal–organic frameworks for photodynamic therapy and radiotherapy
Current Opinion in Chemical Engineering 2022, 38.
Cycloparaphenylene and their radicals anchored to a metal−organic framework
Materials Today Chemistry 2022, 25.
Two-Stage SN38 Release from a Core-Shell Nanoparticle Enhances Tumor Deposition and Antitumor Efficacy for Synergistic Combination with Immune Checkpoint Blockade
ACS Nano 2022.
Dimensional Reduction Enhances Photodynamic Therapy of Metal-Organic Nanophotosensitizers
Journal of the American Chemical Society 2022, 144 (12), 5241–5246.
Site Isolation in Metal-Organic Layers Enhances Photoredox Gold Catalysis
Journal of the American Chemical Society 2022.
Erratum: Correction to "Nanoscale Metal-Organic Framework Co-delivers TLR-7 Agonists and Anti-CD47 Antibodies to Modulate Macrophages and Orchestrate Cancer Immunotherapy" (Journal of the American Che
Journal of the American Chemical Society 2022, 144 (34), 15907–0.
Synergistic checkpoint-blockade and radiotherapy–radiodynamic therapy via an immunomodulatory nanoscale metal–organic framework
Nature Biomedical Engineering 2022, 6 (2), 144–156.
Author Correction: Synergistic checkpoint-blockade and radiotherapy–radiodynamic therapy via an immunomodulatory nanoscale metal–organic framework (Nature Biomedical Engineering, (2022), 6, 2, (144-15
Nature Biomedical Engineering 2022.
Zinc cyclic di-AMP nanoparticles target and suppress tumours via endothelial STING activation and tumour-associated macrophage reinvigoration
Nature Nanotechnology 2022.
Biomimetic active sites on monolayered metal–organic frameworks for artificial photosynthesis
Nature Catalysis 2022, 5 (11), 1006–1018.
Accelerated Convergence of Contracted Quantum Eigensolvers through a Quasi-Second-Order, Locally Parameterized Optimization
Journal of Chemical Theory and Computation 2022, 18 (9), 5286–5296.
Comparison of Density-Matrix Corrections to Density Functional Theory
Journal of Chemical Theory and Computation 2022, 18 (11), 6600–6607.
Density Functional Theory Transformed into a One-Electron Reduced-Density-Matrix Functional Theory for the Capture of Static Correlation
Journal of Physical Chemistry Letters 2022, 13 (6), 1382–1388.
Reducing the Quantum Many-Electron Problem to Two Electrons with Machine Learning
Journal of the American Chemical Society 2022, 144 (41), 18959–18966.
Relaxation of stationary states on a quantum computer yields a unique spectroscopic fingerprint of the computer’s noise
Communications Physics 2022, 5 (1).
Author Correction: Relaxation of stationary states on a quantum computer yields a unique spectroscopic fingerprint of the computer’s noise (Communications Physics, (2022), 5, 1, (28), 10.1038/s42005-0
Communications Physics 2022, 5 (1).
Beginnings of exciton condensation in coronene analog of graphene double layer
Journal of Chemical Physics 2022, 156 (15).
Elucidating the molecular orbital dependence of the total electronic energy in multireference problems
Journal of Chemical Physics 2022, 156 (19).
Resolving correlated states of benzyne with an error-mitigated contracted quantum eigensolver
Physical Review A 2022, 105 (2).
Many-fermion simulation from the contracted quantum eigensolver without fermionic encoding of the wave function
Physical Review A 2022, 105 (6).
Quantum simulation of quantum phase transitions using the convex geometry of reduced density matrices
Physical Review A 2022, 106 (1).
Quantum state preparation and nonunitary evolution with diagonal operators
Physical Review A 2022, 106 (2).
Simultaneous fermion and exciton condensations from a model Hamiltonian
Physical Review B 2022, 105 (3).
Large cumulant eigenvalue as a signature of exciton condensation
Physical Review B 2022, 105 (24).
Entangled phase of simultaneous fermion and exciton condensations realized
Physical Review B 2022, 105 (12).
Quantum phase transitions in a model Hamiltonian exhibiting entangled simultaneous fermion-pair and exciton condensations
Physical Review B 2022, 106 (16).
Cooper-pair condensates with nonclassical long-range order on quantum devices
Physical Review Research 2022, 4 (1).
Quantum simulation of the Lindblad equation using a unitary decomposition of operators
Physical Review Research 2022, 4 (2).
A general quantum algorithm for open quantum dynamics demonstrated with the Fenna-Matthews-Olson complex
Quantum 2022, 6, 726–0.
Diels-Alder Cycloadditions for Peptide Macrocycle Formation
Methods in Molecular Biology 2022, 2371, 159–174.
Widespread, Reversible Cysteine Modification by Methylglyoxal Regulates Metabolic Enzyme Function
ACS Chemical Biology 2022.
Targeting MYC with modular synthetic transcriptional repressors derived from bHLH DNA-binding domains
Nature Biotechnology 2022.
SARS-CoV-2 Diverges from Other Betacoronaviruses in Only Partially Activating the IRE1α/XBP1 Endoplasmic Reticulum Stress Pathway in Human Lung-Derived Cells
mBio 2022, 13 (5).
Resist-Free Lithography for Monolayer Transition Metal Dichalcogenides
Nano Letters 2022, 22 (2), 726–732.
Two-Dimensional Mechanics of Atomically Thin Solids on Water
Nano Letters 2022, 22 (17), 7180–7186.
Direct Heat-Induced Patterning of Inorganic Nanomaterials
Journal of the American Chemical Society 2022.
Torsional periodic lattice distortions and diffraction of twisted 2D materials
Nature Communications 2022, 13 (1).
Robotic four-dimensional pixel assembly of van der Waals solids
Nature Nanotechnology 2022.
Author Correction: Robotic four-dimensional pixel assembly of van der Waals solids (Nature Nanotechnology, (2022), 17, 4, (361-366), 10.1038/s41565-021-01061-5)
Nature Nanotechnology 2022.
Wafer-scale integration of transition metal dichalcogenide field-effect transistors using adhesion lithography
Nature Electronics 2022.
Structural Basis for Fluorescence Activation by Pepper RNA
ACS Chemical Biology 2022, 17 (7), 1866–1875.
Structural basis for substrate binding and catalysis by a self-alkylating ribozyme
Nature Chemical Biology 2022.
Sub-3-Å cryo-EM structure of RNA enabled by engineered homomeric self-assembly
Nature Methods 2022, 19 (5), 576–585.
Dearomative (4 + 3) Cycloaddition Reactions of 3-Alkenylindoles and 3-Alkenylpyrroles to Afford Cyclohepta[ b]indoles and Cyclohepta[ b]pyrroles
Organic Letters 2022, 24 (44), 8109–8114.
A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and Pitfalls
Journal of Chemical Theory and Computation 2022, 18 (3), 1406–1422.
Challenges and Advantages of Accounting for Backbone Flexibility in Prediction of Protein-Protein Complexes
Journal of Chemical Theory and Computation 2022, 18 (3), 2016–2032.
Computational Assessment of Protein-Protein Binding Specificity within a Family of Synaptic Surface Receptors
Journal of Physical Chemistry B 2022, 126 (39), 7510–7527.
Galvani Offset Potential and Constant-pH Simulations of Membrane Proteins
Journal of Physical Chemistry B 2022, 126 (36), 6868–6877.
Hazardous Shortcuts in Standard Binding Free Energy Calculations
Journal of Physical Chemistry Letters 2022, 13 (27), 6250–6258.
Committor-Consistent Variational String Method
Journal of Physical Chemistry Letters 2022, 13 (40), 9263–9271.
A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V
Nature Communications 2022, 13 (1).
Metal-responsive regulation of enzyme catalysis using genetically encoded chemical switches
Nature Communications 2022, 13 (1).
Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations
Nature Protocols 2022.
Transition rate theory, spectral analysis, and reactive paths
Journal of Chemical Physics 2022, 156 (13).
Mechanism of voltage gating in the voltage-sensing phosphatase Ci-VSP
Proceedings of the National Academy of Sciences of 2022, 119 (44).
Computational methods and theory for ion channel research
Advances in Physics: X 2022, 7 (1).
Engineering of a synthetic antibody fragment for structural and functional studies of K + channels
Journal of General Physiology 2022, 154 (4).
The emergence of protein dynamics simulations: how computational statistical mechanics met biochemistry
European Physical Journal H 2022, 47 (1).
Synthesis and Characterization of Block Copolymers for Nanolithography Based on Thiol-Ene “Click” Functionalized Polystyrene-Block-Polybutadiene
Advanced Functional Materials 2022, 32 (46).
The effect of polymer grafting on the mechanical properties of PEG-grafted cellulose nanocrystals in poly(lactic acid)
Journal of Polymer Science 2022.
Erratum: Enhanced Ion Conductivity through Hydrated, Polyelectrolyte-Grafted Cellulose Nanocrystal Films (Macromolecules (2021) 54 (14), (6925-6936) DOI: 10.1021/acs.macromol.1c01155)
Macromolecules 2022, 55 (3), 1089–0.
Designing Stress-Adaptive Dense Suspensions Using Dynamic Covalent Chemistry
Macromolecules 2022, 55 (15), 6453–6461.
Immunostimulatory Polymers as Adjuvants, Immunotherapies, and Delivery Systems
Macromolecules 2022, 55 (16), 6913–6937.
From Biosensors to Drug Delivery and Tissue Engineering: Open Biomaterials Research
ACS Omega 2022, 7 (8), 6437–6438.
Optimized design of block copolymers with covarying properties for nanolithography
Nature Materials 2022, 21 (12), 1426–1433.
Polycatenanes: synthesis, characterization, and physical understanding
Chemical Society Reviews 2022.
Erratum: Polycatenanes: synthesis, characterization, and physical understanding (Chemical Society Reviews (2022) DOI: 10.1039/d2cs00256f)
Chemical Society Reviews 2022, 51 (12), 5237–0.
Metastable doubly threaded [3]rotaxanes with a large macrocycle
Chemical Science 2022.
Porous but Mechanically Robust All-Inorganic Antireflective Coatings Synthesized using Polymers of Intrinsic Microporosity
ACS Nano 2022, 16 (9), 14754–14764.
Spontaneous formation of anisotropic microrods from paraffin wax in an aqueous environment
Soft Matter 2022, 18 (1), 156–161.
Introduction to CO 2 capture and conversion
Nanoscale 2022.
Acetone-Water Interactions in Crystalline and Amorphous Ice Environments
Journal of Physical Chemistry A 2022, 126 (17), 2729–2738.
STM Visualization of N 2 Dissociative Chemisorption on Ru(0001) at High Impinging Kinetic Energies
Journal of Physical Chemistry C 2022, 126 (43), 18333–18342.
A combined helium atom scattering and density-functional theory study of the Nb(100) surface oxide reconstruction: Phonon band structures and vibrational dynamics
Journal of Chemical Physics 2022, 156 (12).
Characterization of Acetonitrile Isotopologues as Vibrational Probes of Electrolytes
Journal of Physical Chemistry B 2022, 126 (1), 278–291.
Exchange-Mediated Transport in Battery Electrolytes: Ultrafast or Ultraslow?
Journal of the American Chemical Society 2022.
Enabling High Resolution Photopatternable Quantum Dot Downconverters
Digest of Technical Papers - SID International Symposium 2022, 53 (S1), 405–408.
Synthesis of In 1-x Ga x P Quantum Dots in Lewis Basic Molten Salts: The Effects of Surface Chemistry, Reaction Conditions, and Molten Salt Composition
Journal of Physical Chemistry C 2022, 126 (3), 1564–1580.
Thermal Stability of Semiconductor Nanocrystal Solids: Understanding Nanocrystal Sintering and Grain Growth
Journal of Physical Chemistry C 2022, 126 (49), 21136–21148.
Diffusion-Limited Kinetics of Isovalent Cation Exchange in III-V Nanocrystals Dispersed in Molten Salt Reaction Media
Nano Letters 2022, 22 (16), 6545–6552.
Ligand-Free Direct Optical Lithography of Bare Colloidal Nanocrystals via Photo-Oxidation of Surface Ions with Porosity Control
ACS Nano 2022, 16 (10), 16067–16076.
Active learning of polarizable nanoparticle phase diagrams for the guided design of triggerable self-assembling superlattices
Molecular Systems Design and Engineering 2022, 7 (4), 350–363.
Self-assembly of nanocrystals into strongly electronically coupled all-inorganic supercrystals
Science 2022, 375 (6587), 1422–1426.
3D-printing nanocrystals with light
Science 2022, 377 (6610), 1046–1047.
Semiconductor Nanowire-Based Cellular and Subcellular Interfaces
Advanced Functional Materials 2022, 32 (11).
Stretchable Redox-Active Semiconducting Polymers for High-Performance Organic Electrochemical Transistors
Advanced Materials 2022.
Biocompatible and Nanoenabled Technologies for Biological Modulation
Advanced Materials Technologies 2022, 7 (2).
A Multifunctional Neutralizing Antibody-Conjugated Nanoparticle Inhibits and Inactivates SARS-CoV-2
Advanced Science 2022, 9 (2).
Freestanding nanomaterials for subcellular neuronal interfaces
iScience 2022, 25 (1).
Nanoenabled Trainable Systems: From Biointerfaces to Biomimetics
ACS Nano 2022, 16 (12), 19651–19664.
A soil-inspired dynamically responsive chemical system for microbial modulation
Nature Chemistry 2022.
Porosity-based heterojunctions enable leadless optoelectronic modulation of tissues
Nature Materials 2022, 21 (6), 647–655.
Biology-guided engineering of bioelectrical interfaces
Nanoscale Horizons 2022, 7 (2), 94–111.
Distributed interfacing by nanoscale photodiodes enables single-neuron light activation and sensory enhancement in 3D spinal explants
Science Advances 2022, 8 (32).
Erratum: Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies (J. Phys. Chem. B (2021) 125 (17) (4501-4513) DOI: 10.1021/
Journal of Physical Chemistry B 2022, 126 (16), 3196–3197.
From Networked to Isolated: Observing Water Hydrogen Bonds in Concentrated Electrolytes with Two-Dimensional Infrared Spectroscopy
Journal of Physical Chemistry B 2022.
Erratum: Water or Anion? Uncovering the Zn 2+ Solvation Environment in Mixed Zn(TFSI) 2 and LiTFSI Water-in-Salt Electrolytes (ACS Energy Lett. (2021) 6: 10 (3458−3463) DOI: 10.1021/acsenergylett.1c01
ACS Energy Letters 2022.
Resonance conditions, detection quality, and single-molecule sensitivity in fluorescence-encoded infrared vibrational spectroscopy
Journal of Chemical Physics 2022, 156 (17).
Mean-field theory for the structure of strongly interacting active liquids
Journal of Chemical Physics 2022, 157 (1).
From predicting to learning dissipation from pair correlations of active liquids
Journal of Chemical Physics 2022, 157 (5).
Ion permeation, selectivity, and electronic polarization in fluoride channels
Biophysical Journal 2022.
Proton coupling and the multiscale kinetic mechanism of a peptide transporter
Biophysical Journal 2022, 121 (12), 2266–2278.
Using Machine Learning to Greatly Accelerate Path Integral Ab Initio Molecular Dynamics
Journal of Chemical Theory and Computation 2022, 18 (2), 599–604.
Bottom-up Coarse-Graining: Principles and Perspectives
Journal of Chemical Theory and Computation 2022, 18 (10), 5759–5791.
Centroid Molecular Dynamics Can Be Greatly Accelerated through Neural Network Learned Centroid Forces Derived from Path Integral Molecular Dynamics
Journal of Chemical Theory and Computation 2022, 18 (10), 5856–5863.
Coarse-Graining of Imaginary Time Feynman Path Integrals: Inclusion of Intramolecular Interactions and Bottom-up Force-Matching
Journal of Physical Chemistry A 2022.
Key Factors Governing Initial Stages of Lipid Droplet Formation
Journal of Physical Chemistry B 2022, 126 (2), 453–462.
Computational Studies of Lipid Droplets
Journal of Physical Chemistry B 2022.
Accurate p K a Calculations in Proteins with Reactive Molecular Dynamics Provide Physical Insight into the Electrostatic Origins of Their Values
Journal of Physical Chemistry B 2022, 126 (38), 7321–7330.
Generalized Transition State Theory Treatment of Water-Assisted Proton Transport Processes in Proteins
Journal of Physical Chemistry B 2022, 126 (49), 10452–10459.
Multiscale Simulation of an Influenza A M2 Channel Mutant Reveals Key Features of Its Markedly Different Proton Transport Behavior
Journal of the American Chemical Society 2022, 144 (2), 769–776.
Inositol Hexakisphosphate (IP6) Accelerates Immature HIV-1 Gag Protein Assembly toward Kinetically Trapped Morphologies
Journal of the American Chemical Society 2022, 144 (23), 10417–10428.
Cooperative multivalent receptor binding promotes exposure of the SARS-CoV-2 fusion machinery core
Nature Communications 2022, 13 (1).
Strain and rupture of HIV-1 capsids during uncoating
Proceedings of the National Academy of Sciences of 2022, 119 (10).
Activated I-BAR IRSp53 clustering controls the formation of VASP-actin–based membrane protrusions
Science Advances 2022, 8 (41).
Seipin transmembrane segments critically function in triglyceride nucleation and lipid droplet budding from the membrane
eLife 2022, 11.
Structure of SARS-CoV-2 M protein in lipid nanodiscs
eLife 2022, 11.
Effective Approach toward Selective Near-Infrared Dyes: Rational Design, Synthesis, and Characterization of Thieno[3,4- b]thiophene-Based Quinoidal Oligomers
ACS Applied Materials and Interfaces 2022, 14 (50), 55686–55690.
New semi-ladder polymers for ambipolar organic light-emitting transistors
Chemical Communications 2022, 58 (81), 11347–11353.
Template-Free Assembly of Functional RNAs by Loop-Closing Ligation
Journal of the American Chemical Society 2022, 144 (30), 13920–13927.
Folding and Duplex Formation in Sequence-Defined Aniline Benzaldehyde Oligoarylacetylenes
Journal of the American Chemical Society 2022, 144 (40), 18350–18358.
Freeze-thaw cycles enable a prebiotically plausible and continuous pathway from nucleotide activation to nonenzymatic RNA copying
Proceedings of the National Academy of Sciences of 2022, 119 (17).
Nonenzymatic assembly of active chimeric ribozymes from aminoacylated RNA oligonucleotides
Proceedings of the National Academy of Sciences of 2022, 119 (7).
Kinetic explanations for the sequence biases observed in the nonenzymatic copying of RNA templates
Nucleic Acids Research 2022, 50 (1), 35–45.
Hybridization kinetics of out-of-equilibrium mixtures of short RNA oligonucleotides
Nucleic Acids Research 2022, 50 (17), 9647–9662.
Virtual Circular Genome Model for Prebiotically Plausible Nonenzymatic RNA Replication
FASEB journal : official publication of the Federation of American Societies for Experimental Biology 2022, 36.

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