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Recent papers

Cortical tau is associated with microstructural imaging biomarkers of neurite density and dendritic complexity in Alzheimer's disease Alzheimer's and Dementia 2023.

The inverse electron demand Diels–Alder cycloaddition with carbon-11 and fluorine-18: A gateway to pretargeted imaging across the blood–brain barrier Journal of Labelled Compounds and Radiopharmaceuticals 2023.

Longitudinal Synaptic Loss in Primary Tauopathies: An In Vivo [ 11 C]UCB-J Positron Emission Tomography Study Movement Disorders 2023.

[ 11 C]metomidate PET-CT versus adrenal vein sampling for diagnosing surgically curable primary aldosteronism: a prospective, within-patient trial Nature Medicine 2023, 29 (1), 190–202.

Do Regions of Increased Inflammation Progress to New White Matter Hyperintensities?: A Longitudinal Positron Emission Tomography-Magnetic Resonance Imaging Study Stroke 2023, 54 (2), 549–557.

Pharmacological modulation of TSPO in microglia/macrophages and neurons in a chronic neurodegenerative model of prion disease Journal of Neuroinflammation 2023, 20 (1).

Preclinical PET Imaging of Tumor Cell Death following Therapy Using Gallium-68-Labeled C2Am Cancers 2023, 15 (5).

Density Matrix Renormalization Group for Transcorrelated Hamiltonians: Ground and Excited States in Molecules Journal of Chemical Theory and Computation 2023, 19 (6), 1734–1743.

TREXIO: A file format and library for quantum chemistry Journal of Chemical Physics 2023, 158 (17).

Transcorrelated coupled cluster methods. II. Molecular systems Journal of Chemical Physics 2023, 158 (21).

Ferromagnetic domains in the large- U Hubbard model with a few holes: A full configuration interaction quantum Monte Carlo study Physical Review B 2023, 107 (6).

Comparison of Matsubara dynamics with exact quantum dynamics for an oscillator coupled to a dissipative bath Journal of Chemical Physics 2023, 158 (11).

Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis Angewandte Chemie - International Edition 2023.

Chem-map profiles drug binding to chromatin in cells Nature Biotechnology 2023.

Simultaneous sequencing of genetic and epigenetic bases in DNA Nature Biotechnology 2023.

Factorized Structured Regression for Large-Scale Varying Coefficient Models Lecture Notes in Computer Science 2023.

Integrating structure-based approaches in generative molecular design Current Opinion in Structural Biology 2023, 79.

Deep generative models for 3D molecular structure Current Opinion in Structural Biology 2023, 80.

Using chemical and biological data to predict drug toxicity SLAS Discovery 2023, 28 (3), 53–64.

Prediction of inotropic effect based on calcium transients in human iPSC-derived cardiomyocytes and machine learning Toxicology and Applied Pharmacology 2023, 459.

Statistical analysis of preclinical inter-species concordance of histopathological findings in the eTOX database Regulatory Toxicology and Pharmacology 2023, 138.

Retrospective analysis of the potential use of virtual control groups in preclinical toxicity assessment using the eTOX database Regulatory Toxicology and Pharmacology 2023, 138.

Prediction of Compound Plasma Concentration-Time Profiles in Mice Using Random Forest Molecular Pharmaceutics 2023.

Using Transcriptomics and Cell Morphology Data in Drug Discovery: The Long Road to Practice ACS Medicinal Chemistry Letters 2023, 14 (4), 386–395.

Benchmarking causal reasoning algorithms for gene expression-based compound mechanism of action analysis BMC Bioinformatics 2023, 24 (1).

Mechanism of action deconvolution of the small-molecule pathological tau aggregation inhibitor Anle138b Alzheimer's Research and Therapy 2023, 15 (1).

In silico prediction and biological assessment of novel angiogenesis modulators from traditional Chinese medicine Frontiers in Pharmacology 2023, 14.

Unlocking the Potential of Bio-Based Nitrogen-Rich Furanic Platforms as Biomass Synthons Angewandte Chemie - International Edition 2023.

SnapShot: Clinical and preclinical utility of click chemistry Cell 2023, 186 (3).

Introducing the 2023 Bioconjugate Chemistry Editorial Team Bioconjugate Chemistry 2023, 34 (2), 279–282.

A Selective SARS-CoV-2 Host-Directed Antiviral Targeting Stress Response to Reactive Oxygen Species ACS Central Science 2023, 9 (1), 109–121.

Proximity-Induced Nucleic Acid Degrader (PINAD) Approach to Targeted RNA Degradation Using Small Molecules ACS Central Science 2023.

Expanding Transition Metal-Mediated Bioorthogonal Decaging to Include C-C Bond Cleavage Reactions Journal of the American Chemical Society 2023.

Soluble Diphenylhexatriene Dimers for Intramolecular Singlet Fission with High Triplet Energy Journal of the American Chemical Society 2023, 145 (4), 2499–2510.

Aza-Cibalackrot: Turning on Singlet Fission Through Crystal Engineering Journal of the American Chemical Society 2023.

Reducing non-radiative voltage losses in organic solar cells using molecular encapsulation Materials Chemistry Frontiers 2023.

Can diesel internal injector deposits form via an electrokinetic mechanism? Fuel 2023, 338.

Physical determinants of multiphase organisation in multi-component protein/RNA condensates Biophysical Journal 2023, 122 (3S1).

A universal code for phase separation of prion-like low complexity domains: Insights from quantitative computer simulations Biophysical Journal 2023, 122 (3S1).

Surfactants or scaffolds? RNAs of varying lengths control the thermodynamic stability of condensates differently Biophysical Journal 2023.

Time-Dependent Material Properties of Aging Biomolecular Condensates from Different Viscoelasticity Measurements in Molecular Dynamics Simulations Journal of Physical Chemistry B 2023.

Photogeneration of Spin Quintet Triplet-Triplet Excitations in DNA-Assembled Pentacene Stacks Journal of the American Chemical Society 2023.

Erratum: Photogeneration of Spin Quintet Triplet-Triplet Excitations in DNA-Assembled Pentacene Stacks (J. Am. Chem. Soc. (2023) 145:9 (5431−5438) DOI: 10.1021/jacs.2c13743) Journal of the American Chemical Society 2023, 145 (14), 8271–0.

Thermodynamic origins of two-component multiphase condensates of proteins Chemical Science 2023.

Nucleic Acid Structure Prediction Including Pseudoknots Through Direct Enumeration of States: A User's Guide to the LandscapeFold Algorithm Methods in Molecular Biology 2023, 2586, 49–77.

Hallucinating functional protein sequences Nature Biotechnology 2023.

MGnify: the microbiome sequence data analysis resource in 2023 Nucleic Acids Research 2023, 51 (D1).

InterPro in 2022 Nucleic Acids Research 2023, 51 (D1).

ProteInfer, deep neural networks for protein functional inference eLife 2023, 12.

Nuclear magnetic resonance studies of carbon dioxide capture Journal of Magnetic Resonance 2023, 346.

Solvent-derived defects suppress adsorption in MOF-74 Nature Communications 2023, 14 (1).

One-dimensional alignment of defects in a flexible metal-organic framework Science Advances 2023, 9 (6).

Multicomponent synthesis of α-chloro alkylboronic esters via visible-light-mediated dual catalysis Chem 2023, 9 (1), 216–226.

Scalable Palladium-Catalyzed C(sp3)-H Carbonylation of Alkylamines in Batch and Continuous Flow Organic Process Research and Development 2023, 27 (4), 649–658.

A Chiral Amine Transfer Approach to the Photocatalytic Asymmetric Synthesis of α-Trialkyl-α-tertiary Amines Organic Letters 2023.

Direct surface analysis mass spectrometry uncovers the vertical distribution of cuticle-associated metabolites in plants RSC Advances 2023, 13 (13), 8487–8495.

Quantitative in Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm Journal of Physical Chemistry A 2023, 127 (11), 2628–2636.

Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence Journal of Cheminformatics 2023, 15 (1).

Triarylamines as Catholytes in Aqueous Organic Redox Flow Batteries ChemSusChem 2023.

Quantifying Dissolved Transition Metals in Battery Electrolyte Solutions with NMR Paramagnetic Relaxation Enhancement Journal of Physical Chemistry C 2023.

Anion redox as a means to derive layered manganese oxychalcogenides with exotic intergrowth structures Nature Communications 2023, 14 (1).

Operando NMR electrochemical gating studies of ion dynamics in PEDOT:PSS Nature Materials 2023, 22 (6), 746–753.

Determining the oxidation states of dissolved transition metals in battery electrolytes from solution NMR spectra Chemical Communications 2023, 59 (12), 1677–1680.

A practical perspective on the potential of rechargeable Mg batteries Energy and Environmental Science 2023.

Chemo-Mechanical Analysis of Lithiation/Delithiation of Ni-rich Single Crystals Journal of the Electrochemical Society 2023, 170 (5).

Recognition-Encoded Synthetic Information Molecules Accounts of Chemical Research 2023, 56 (6), 712–727.

Substituent effects on aromatic interactions in water Chemical Science 2023.

Bis-porphyrin tetragonal prisms assembled through Watson-Crick hydrogen bonding between complementary nucleobases Journal of Porphyrins and Phthalocyanines 2023, 27 (1-4), 383–389.

Intermittent relaxation and avalanches in extremely persistent active matter Soft Matter 2023.

Thermal vestiges of avalanches in the driven random field Ising model Journal of Statistical Mechanics: Theory and Experiment 2023, 2023 (2).

Marcus-like translocation kinetics of a knotted protein Biophysical Journal 2023, 122 (3S1).

Glucagon-like peptide 1 aggregates into low-molecular-weight oligomers off-pathway to fibrillation Biophysical Journal 2023.

Early detection of COPD patients’ symptoms with personal environmental sensors: a remote sensing framework using probabilistic latent component analysis with linear dynamic systems Neural Computing and Applications 2023.

Associations of air pollution mixtures with ambulatory blood pressure: The MobiliSense sensor-based study Environmental Research 2023, 227.

Surfaces for Study of Receptor Dynamics on T Cells Methods in Molecular Biology 2023, 2654, 41–50.

Direct digital sensing of protein biomarkers in solution Nature Communications 2023, 14 (1).

Antigen discrimination by T cells relies on size-constrained microvillar contact Nature Communications 2023, 14 (1).

Formation of amyloid loops in brain tissues is controlled by the flexibility of protofibril chains Proceedings of the National Academy of Sciences of 2023, 120 (21).

Microfluidic antibody affinity profiling of alloantibody-HLA interactions in human serum Biosensors and Bioelectronics 2023, 228.

Approximate analytical solution to the Flory-Huggins model Biophysical Journal 2023, 122 (3S1).

Characterizing protein interactions in biomolecular phase separation Biophysical Journal 2023, 122 (3S1).

Continuous population-level monitoring of SARS-CoV-2 seroprevalence in a large European metropolitan region iScience 2023, 26 (2).

Protocol to determine antibody affinity and concentration in complex solutions using microfluidic antibody affinity profiling STAR Protocols 2023, 4 (1).

Multidimensional Protein Solubility Optimization with an Ultrahigh-Throughput Microfluidic Platform Analytical Chemistry 2023, 95 (12), 5362–5368.

Kinetic Analysis Reveals the Role of Secondary Nucleation in Regenerated Silk Fibroin Self-Assembly Biomacromolecules 2023, 24 (4), 1709–1716.

Single-Molecule Sizing through Nanocavity Confinement Nano Letters 2023.

Selenium Silk Nanostructured Films with Antifungal and Antibacterial Activity ACS Applied Materials and Interfaces 2023, 15 (8), 10452–10463.

Bioprinting microporous functional living materials from protein-based core-shell microgels Nature Communications 2023, 14 (1).

Spatially non-uniform condensates emerge from dynamically arrested phase separation Nature Communications 2023, 14 (1).

Spontaneous nucleation and fast aggregate-dependent proliferation of α-synuclein aggregates within liquid condensates at neutral pH Proceedings of the National Academy of Sciences of 2023, 120 (9).

Surface patches induce nonspecific binding and phase separation of antibodies Proceedings of the National Academy of Sciences of 2023, 120 (15).

Enhanced surface nanoanalytics of transient biomolecular processes Science Advances 2023, 9 (2).

Design of thiamine analogues for inhibition of thiamine diphosphate (ThDP)-dependent enzymes: Systematic investigation through Scaffold-Hopping and C2-Functionalisation Bioorganic Chemistry 2023, 138.

Inhibition of Thiamine Diphosphate-Dependent Enzymes by Triazole-Based Thiamine Analogues ACS Medicinal Chemistry Letters 2023.

Furan-based inhibitors of pyruvate dehydrogenase: SAR study, biochemical evaluation and computational analysis Organic and Biomolecular Chemistry 2023.

Classical Quantum Friction at Water-Carbon Interfaces Nano Letters 2023, 23 (2), 580–587.

Considerably Increased Dynamics of CO-Water Complexes over CO and Water Alone Nano Letters 2023.

pH-dependent water permeability switching and its memory in MoS 2 membranes Nature 2023, 616 (7958), 719–723.

Hydration at Highly Crowded Interfaces Physical Review Letters 2023, 130 (10).

Mechanisms of adsorbing hydrogen gas on metal decorated graphene Physical Review Materials 2023, 7 (3).

Medium-density amorphous ice Science 2023, 379 (6631), 474–478.

Supramolecular Self-Assembly as a Tool To Preserve the Electronic Purity of Perylene Diimide Chromophores** Angewandte Chemie - International Edition 2023.

Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn 8 L 6 Self-Assembled Structures Angewandte Chemie - International Edition 2023, 62 (10).

Allosterically Regulated Guest Binding Determines Framework Symmetry for an Fe II 4 L 4 Cage Angewandte Chemie - International Edition 2023, 62 (18).

A Double-Walled Tetrahedron with Ag I 4 Vertices Binds Different Guests in Distinct Sites** Angewandte Chemie - International Edition 2023, 62 (16).

Enantiopure Fe II 4 L 4 cages bind steroids stereoselectively Chem 2023.

Fluoride up- and down-regulates guest encapsulation for Zn II 6 L 4 and Zn II 4 L 4 cages Chem 2023.

Subtle Stereochemical Effects Influence Binding and Purification Abilities of an Fe II 4 L 4 Cage Journal of the American Chemical Society 2023.

Secondary Bracing Ligands Drive Heteroleptic Cuboctahedral Pd II 12 Cage Formation Journal of the American Chemical Society 2023.

A Diverse Array of Large Capsules Transform in Response to Stimuli Journal of the American Chemical Society 2023.

Substrate-Directed Enantioselective Aziridination of Alkenyl Alcohols Controlled by a Chiral Cation Journal of the American Chemical Society 2023, 145 (13), 7516–7527.

Phase diagrams - Why they matter and how to predict them Journal of Chemical Physics 2023, 158 (3).

Floating Carbon Nitride Composites for Practical Solar Reforming of Pre-Treated Wastes to Hydrogen Gas Advanced Science 2023.

In situ Detection of Cobaloxime Intermediates During Photocatalysis Using Hollow-Core Photonic Crystal Fiber Microreactors Angewandte Chemie - International Edition 2023, 62 (9).

Comproportionation of CO 2 and Cellulose to Formate Using a Floating Semiconductor-Enzyme Photoreforming Catalyst Angewandte Chemie - International Edition 2023, 62 (20).

Carboxysome-Inspired Electrocatalysis using Enzymes for the Reduction of CO 2 at Low Concentrations** Angewandte Chemie - International Edition 2023.

Heterostructured PHI-PTI/Li + Cl − Carbon Nitrides for Multiple Photocatalytic Applications Solar RRL 2023.

Solar-driven liquid multi-carbon fuel production using a standalone perovskite–BiVO 4 artificial leaf Nature Energy 2023.

Photosynthesis re-wired on the pico-second timescale Nature 2023, 615 (7954), 836–840.

Peroxide-cleavable linkers for antibody-drug conjugates Chemical Communications 2023, 59 (13), 1841–1844.

Synthesis of sp 3 -rich heterocyclic frameworks by a divergent synthesis strategy Organic and Biomolecular Chemistry 2023.

The human proton pump inhibitors inhibit Mycobacterium tuberculosis rifampicin efflux and macrophage-induced rifampicin tolerance Proceedings of the National Academy of Sciences of 2023, 120 (7).

A hybrid stochastic configuration interaction-coupled cluster approach for multireference systems Journal of Chemical Physics 2023, 158 (18).

Probing the effects of N-terminal acetylation on α-synuclein structure, aggregation and cytotoxicity Methods in Enzymology 2023.

Varied mechanisms for the neutralization of biological toxins using natural products Biophysical Journal 2023, 122 (3S1).

EGCG inactivates a pore-forming toxin by promoting its oligomerization and decreasing its solvent-exposed hydrophobicity Chemico-Biological Interactions 2023, 371.

Towards sequence-based principles for protein phase separation predictions Current Opinion in Chemical Biology 2023, 75.

Characterization of Pairs of Toxic and Nontoxic Misfolded Protein Oligomers Elucidates the Structural Determinants of Oligomer Toxicity in Protein Misfolding Diseases Accounts of Chemical Research 2023.

Combinations of Vitamin A and Vitamin E Metabolites Confer Resilience against Amyloid-β Aggregation ACS Chemical Neuroscience 2023, 14 (4), 657–666.

Amyloidogenic proteins in the SARS-CoV and SARS-CoV-2 proteomes Nature Communications 2023, 14 (1).

Extracellular protein homeostasis in neurodegenerative diseases Nature Reviews Neurology 2023.

Sequence-based prediction of pH-dependent protein solubility using CamSol Briefings in Bioinformatics 2023, 24 (2).

Case report of a patient with unclassified tauopathy with molecular and neuropathological features of both progressive supranuclear palsy and corticobasal degeneration Acta neuropathologica communications 2023, 11 (1).

Chiral Se Nanobrooms with Wavelength and Polarization Sensitive Scattering Advanced Functional Materials 2023.

Exploiting the Thermotropic Behavior of Hydroxypropyl Cellulose to Produce Edible Photonic Pigments Advanced Sustainable Systems 2023.

Brilliant whiteness in shrimp from ultra-thin layers of birefringent nanospheres Nature Photonics 2023, 17 (6), 485–493.

Edible cellulose-based colorimetric timer Nanoscale Horizons 2023.

Molecular Energy Landscapes of Hardware-Efficient Ansätze in Quantum Computing Journal of Chemical Theory and Computation 2023, 19 (4), 1197–1206.

Stable and scalable computation of state visitation probabilities in finite Markov chains Journal of Chemical Physics 2023, 158 (21).

Analysing ill-conditioned Markov chains Philosophical Transactions of the Royal Society A: Mathematical, Physical & Engineering Sciences 2023, 381 (2250), 16777215–0.

Microwave-assisted valorization of glycerol to solketal using biomass-derived heterogeneous catalyst Fuel 2023, 345.

Green biodiesel production from Jatropha curcas oil using a carbon-based solid acid catalyst: A process optimization study Renewable Energy 2023, 206, 597–608.

Manipulating morphology and composition in colloidal heterometallic nanopods and nanodendrites Nanoscale 2023.

Flexible laterally-configured electrochromic supercapacitor with feasible patterned display Chemical Engineering Journal 2023, 458.

A colorless to multicolored triphenylamine-based polymer for the visualization of high-performance electrochromic supercapacitor Solar Energy Materials and Solar Cells 2023, 251.

Highly Adaptive Nature of Group 15 Tris(quinolyl) Ligands─Studies with Coinage Metals Inorganic Chemistry 2023, 62 (11), 4625–4636.

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