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ACS Editors’ Choice: A Roadmap for Modeling and Simulations of Polymers — and More!

ACS Editors’ Choice: A Roadmap for Modeling and Simulations of Polymers — and More!

This week: A roadmap for modeling and simulations of polymers — and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
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Block Copolymer Self-Assembly Directed Hierarchically Structured Materials from Nonequilibrium Transient Laser Heating

Macromolecules, 2019, 52 (2), pp 395–409
DOI: 10.1021/acs.macromol.8b01766
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Photocatalytic and Photoelectrochemical Degradation of Organic Compounds with All-Inorganic Metal Halide Perovskite Quantum Dots

J. Phys. Chem. Lett., 2019, 10, pp 630–636
DOI: 10.1021/acs.jpclett.8b03849
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Nanofibrous Kevlar Aerogel Films and Their Phase-Change Composites for Highly Efficient Infrared Stealth

ACS Nano, Article ASAP
DOI: 10.1021/acsnano.8b08913
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In Situ Fabrication of 2D WS2/Si Type-II Heterojunction for Self-Powered Broadband Photodetector with Response up to Mid-Infrared

ACS Photonics, Article ASAP
DOI: 10.1021/acsphotonics.8b01675
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Novel and Potent Dopamine D2 Receptor Go-Protein Biased Agonists

ACS Pharmacol. Transl. Sci., Article ASAP
DOI: 10.1021/acsptsci.8b00060
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Modeling and Simulations of Polymers: A Roadmap

Macromolecules, Article ASAP
DOI: 10.1021/acs.macromol.8b01836
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Bicyclic RGD Peptides with Exquisite Selectivity for the Integrin αvβ3 Receptor Using a “Random Design” Approach

ACS Comb. Sci., Article ASAP
DOI: 10.1021/acscombsci.8b00144
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ACS Editors’ Choice: The Role of pH in Aerosol Processes and Measurement Challenges — and More!

This week: the role of pH in aerosol processes and measurement challenges — and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
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Resolving the Morphology of Peptoid Vesicles at the 1 nm Length Scale Using Cryogenic Electron Microscopy

J. Phys. Chem. B, Article ASAP
DOI: 10.1021/acs.jpcb.8b11752
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Advanced Characterization Techniques for Evaluating Porosity, Nanopore Tortuosity, and Electrical Connectivity at the Single-Nanoparticle Level

ACS Appl. Nano Mater., Article ASAP
DOI: 10.1021/acsanm.8b02051
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Enantioselective Synthesis of Nicotine via an Iodine-Mediated Hofmann–Löffler Reaction

Org. Lett., Article ASAP
DOI: 10.1021/acs.orglett.8b03909
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Bacteriostatic Effects of Apatite-Covered Ag/AgBr/TiO2 Nanocomposite in the Dark: Anomaly in Bacterial Motility

J. Phys. Chem. B, Article ASAP
DOI: 10.1021/acs.jpcb.8b10710
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Whole-Cell Photoacoustic Sensor Based on Pigment Relocalization

ACS Sens., Article ASAP
DOI: 10.1021/acssensors.8b01319
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Engineering a New Class of Anti-LacI Transcription Factors with Alternate DNA Recognition

ACS Synth. Biol., Article ASAP
DOI: 10.1021/acssynbio.8b00324
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Role of pH in Aerosol Processes and Measurement Challenges

J. Phys. Chem. A, Article ASAP
DOI: 10.1021/acs.jpca.8b10676
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ACS Editors’ Choice: Spontaneous Emergence of Complex Molecules that Can Fold Like Proteins — and More!

This week: Spontaneous emergence of complex molecules that can fold like proteins — and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
***
Synthesis and Evaluation of pH-Sensitive Multifunctional Lipids for Efficient Delivery of CRISPR/Cas9 in Gene Editing

Bioconjugate Chem., Article ASAP
DOI: 10.1021/acs.bioconjchem.8b00856
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Neutral Genetic Drift-Based Engineering of a Sucrose-Utilizing Enzyme toward Glycodiversification

ACS Catal., 2019, 9, pp 1241–1252
DOI: 10.1021/acscatal.8b03609
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Complex Molecules That Fold Like Proteins Can Emerge Spontaneously

J. Am. Chem. Soc., Article ASAP
DOI: 10.1021/jacs.8b11698
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Liquefaction of Lignosulfonate in Supercritical Ethanol Using Alumina-Supported NiMo Catalyst

Energy Fuels, Article ASAP
DOI: 10.1021/acs.energyfuels.8b03519
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Hierarchical Optimization of High-Performance Biomimetic and Bioinspired Membranes

Langmuir, Article ASAP
DOI: 10.1021/acs.langmuir.8b03655
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Chemical and Metagenomic Studies of the Lethal Black Band Disease of Corals Reveal Two Broadly Distributed, Redox-Sensitive Mixed Polyketide/Peptide Macrocycles

J. Nat. Prod., Article ASAP
DOI: 10.1021/acs.jnatprod.8b00804
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Characterization of a Multiple-Scan-Rate Voltammetric Waveform for Real-Time Detection of Met-Enkephalin

ACS Chem. Neurosci., Article ASAP
DOI: 10.1021/acschemneuro.8b00351
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ACS Editors’ Choice: Enabling Wound Healing With Wearable Nanogenerators

This week: Enabling wound healing with wearable nanogenerators — and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
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Prediction of Adsorption Energies for Chemical Species on Metal Catalyst Surfaces Using Machine Learning

J. Phys. Chem. C, Article ASAP
DOI: 10.1021/acs.jpcc.8b09284
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Effective Wound Healing Enabled by Discrete Alternative Electric Fields from Wearable Nanogenerators

ACS Nano, Article ASAP
DOI: 10.1021/acsnano.8b07038
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Process Development of a Suzuki Reaction Used in the Manufacture of Lanabecestat

Org. Process Res. Dev., Article ASAP
DOI: 10.1021/acs.oprd.8b00312
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Mercury Stable Isotope Fractionation during Abiotic Dark Oxidation in the Presence of Thiols and Natural Organic Matter

Environ. Sci. Technol., Article ASAP
DOI: 10.1021/acs.est.8b05047
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Toward a Comprehensive Global Emission Inventory of C4–C10 Perfluoroalkanesulfonic Acids (PFSAs) and Related Precursors: Focus on the Life Cycle of C6- and C10-Based Products

Environ. Sci. Technol. Lett., Article ASAP
DOI: 10.1021/acs.estlett.8b00531
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Resonance-Frequency Modulation for Rapid, Point-of-Care Ebola-Glycoprotein Diagnosis with a Graphene-Based Field-Effect Biotransistor

Anal. Chem., Article ASAP
DOI: 10.1021/acs.analchem.8b03226
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N-Silylenamines as Reactive Intermediates: Hydroamination for the Modular Synthesis of Selectively Substituted Pyridines

Org. Lett., 2018, 20 (21), pp 6663–6667
DOI: 10.1021/acs.orglett.8b02703

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ACS Editors’ Choice: Understanding Enzymatic Activity at the Inorganic Nanoparticle–Substrate Interface

This week: Understanding enzymatic activity at the inorganic nanoparticle–substrate interface — and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
***
Neutral Mono(5-aryl-2-iminopyrrolyl)nickel(II) Complexes as Precatalysts for the Synthesis of Highly Branched Ethylene Oligomers: Preparation, Molecular Characterization, and Catalytic Studies

Organometallics, Article ASAP
DOI: 10.1021/acs.organomet.8b00669
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Diffusion Coefficients of a Highly Nonideal Ternary Liquid Mixture: Cyclohexane–Toluene–Methanol

Ind. Eng. Chem. Res., Article ASAP
DOI: 10.1021/acs.iecr.8b04385
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Aggregation-Induced Emission: A Trailblazing Journey to the Field of Biomedicine

ACS Appl. Bio Mater., Article ASAP
DOI: 10.1021/acsabm.8b00600
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“Waltz” of Cell Membrane-Coated Nanoparticles on Lipid Bilayers: Tracking Single Particle Rotation in Ligand–Receptor Binding

ACS Nano, Article ASAP
DOI: 10.1021/acsnano.8b04880
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Nanophotonic-Enhanced Two-Photon-Excited Photoluminescence of Perovskite Quantum Dots

ACS Photonics, Article ASAP
DOI: 10.1021/acsphotonics.8b01199
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Small Surface, Big Effects, and Big Challenges: Toward Understanding Enzymatic Activity at the Inorganic Nanoparticle–Substrate Interface

Langmuir, Article ASAP
DOI: 10.1021/acs.langmuir.8b02733
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Discovery and Characterization of AZD6738, a Potent Inhibitor of Ataxia Telangiectasia Mutated and Rad3 Related (ATR) Kinase with Application as an Anticancer Agent

J. Med. Chem., Article ASAP
DOI: 10.1021/acs.jmedchem.8b01187
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ACS Editors’ Choice: Hygroscopic Auxetic On-Skin Sensors — and More!

This week: Hygroscopic auxetic on-skin sensors —  and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
***
Measuring Cytoplasmic Stiffness of Fibroblasts as a Function of Location and Substrate Rigidity Using Atomic Force Microscopy

ACS Biomater. Sci. Eng., Article ASAP
DOI: 10.1021/acsbiomaterials.8b01019
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Tunable Stability of Imidazotetrazines Leads to a Potent Compound for Glioblastoma

ACS Chem. Biol., Article ASAP
DOI: 10.1021/acschembio.8b00864
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A Layer-by-Layer Approach To Retain a Fluorescent Glucose Sensing Assay within the Cavity of a Hydrogel Membrane

ACS Appl. Bio Mater., Article ASAP
DOI: 10.1021/acsabm.8b00267
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Hygroscopic Auxetic On-Skin Sensors for Easy-to-Handle Repeated Daily Use

ACS Appl. Mater. Interfaces, Article ASAP
DOI: 10.1021/acsami.8b13857
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Label-Free Whole Cell Biosensing for High-Throughput Discovery of Activators and Inhibitors Targeting G Protein-Activated Inwardly Rectifying Potassium Channels

ACS Omega, 2018, 3 (11), pp 14814–14823
DOI: 10.1021/acsomega.8b02254
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Nanometer-Thick Conjugated Microporous Polymer Films for Selective and Sensitive Vapor-Phase TNT Detection

ACS Appl. Nano Mater., Article ASAP
DOI: 10.1021/acsanm.8b01779
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Layer-Dependent Rashba Band Splitting in 2D Hybrid Perovskites

Chem. Mater., Article ASAP
DOI: 10.1021/acs.chemmater.8b03436
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Orally Absorbed Derivatives of the β-Lactamase Inhibitor Avibactam. Design of Novel Prodrugs of Sulfate Containing Drugs

J. Med. Chem., Article ASAP
DOI: 10.1021/acs.jmedchem.8b01389
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ACS Editors’ Choice: Air Quality in Puerto Rico in the Aftermath of Hurricane Maria — and More!

This week: Air quality in Puerto Rico in the aftermath of Hurricane Maria– and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
***
Integrated Angle-Insensitive Nanoplasmonic Filters for Ultraminiaturized Fluorescence Microarray in a 65 nm Digital CMOS Process

ACS Photonics, Article ASAP
DOI: 10.1021/acsphotonics.8b00440

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Air Quality in Puerto Rico in the Aftermath of Hurricane Maria: A Case Study on the Use of Lower Cost Air Quality Monitors

ACS Earth Space Chem., Article ASAP
DOI: 10.1021/acsearthspacechem.8b00079
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Exploring Exercise- and Context-Induced Peptide Changes in Mice by Quantitative Mass Spectrometry

ACS Omega, 2018, 3 (10), pp 13817–13827
DOI: 10.1021/acsomega.8b01713
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Repeated Intrinsic Self-Healing of Wider Cracks in Polymer via Dynamic Reversible Covalent Bonding Molecularly Combined with a Two-Way Shape Memory Effect

ACS Appl. Mater. Interfaces, Article ASAP
DOI: 10.1021/acsami.8b15636

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Lesion Sensing during Initial Binding by Yeast XPC/Rad4: Toward Predicting Resistance to Nucleotide Excision Repair

Chem. Res. Toxicol., Article ASAP
DOI: 10.1021/acs.chemrestox.8b00231
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Chaetolines A and B, Pyrano[3,2-f]isoquinoline Alkaloids from Cultivation of Chaetomium sp. in the Presence of Autoclaved Pseudomonas aeruginosa

J. Nat. Prod., Article ASAP
DOI: 10.1021/acs.jnatprod.8b00373
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Single-Neuron Comparison of the Olfactory Receptor Response to Deuterated and Nondeuterated Odorants

ACS Chem. Neurosci., Article ASAP
DOI: 10.1021/acschemneuro.8b00416
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ACS Editors’ Choice: Long-Range Conductivity in Protein and Peptide Bioelectronic Materials — and More!

This week: Long-range conductivity in protein and peptide bioelectronic materials — and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
***
Catalytic Formation of C(sp3)–F Bonds via Heterogeneous Photocatalysis

ACS Catal., 2018, 8, pp 10321–10330
DOI: 10.1021/acscatal.8b02844
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Critical Evaluation of Starch-Based Antibacterial Nanocomposites as Agricultural Mulch Films: Study on Their Interactions with Water and Light

ACS Sustainable Chem. Eng., Article ASAP
DOI: 10.1021/acssuschemeng.8b04162
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Efficient Fabrication of Pure, Single-Chain Janus Particles through Their Exclusive Self-Assembly in Mixtures with Their Analogues

ACS Macro Lett., 2018, 7, pp 1278–1282
DOI: 10.1021/acsmacrolett.8b00503
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Breast Cancer Chemo-immunotherapy through Liposomal Delivery of an Immunogenic Cell Death Stimulus Plus Interference in the IDO-1 Pathway

ACS Nano, Article ASAP
DOI: 10.1021/acsnano.8b05189
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Polymer–Temozolomide Conjugates as Therapeutics for Treating Glioblastoma

Mol. Pharmaceutics, Article ASAP
DOI: 10.1021/acs.molpharmaceut.8b00766
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Going the Distance: Long-Range Conductivity in Protein and Peptide Bioelectronic Materials

J. Phys. Chem. B, Article ASAP
DOI: 10.1021/acs.jpcb.8b07431
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Cu Photoredox Catalysts Supported by a 4,6-Disubstituted 2,2′-Bipyridine Ligand: Application in Chlorotrifluoromethylation of Alkenes

Organometallics, Article ASAP
DOI: 10.1021/acs.organomet.8b00585
***
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***

ACS Editors’ Choice: Immunomodulating Nanomedicine for Cancer Therapy — and More!

This week: Immunomodulating nanomedicine for cancer therapy — and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
***
Precise Enzymatic Cleavage Sites for Improved Bioactivity of siRNA Lipo-Polyplexes

Bioconjugate Chem., Article ASAP
DOI: 10.1021/acs.bioconjchem.8b00585
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Plasmonically Enhanced Spectral Upconversion for Improved Performance of GaAs Solar Cells under Nonconcentrated Solar Illumination

ACS Photonics, Article ASAP
DOI: 10.1021/acsphotonics.8b01245
***
Bio-based Large Tablet Controlled-Release Urea: Synthesis, Characterization, and Controlled-Released Mechanisms

J. Agric. Food Chem., Article ASAP
DOI: 10.1021/acs.jafc.8b04042
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Immunomodulating Nanomedicine for Cancer Therapy

Nano Lett., Article ASAP
DOI: 10.1021/acs.nanolett.8b02340
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Optimization of Phenyl Indole Inhibitors of the AAA+ ATPase p97

ACS Med. Chem. Lett., Article ASAP
DOI: 10.1021/acsmedchemlett.8b00372
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Discovery of Butyrylcholinesterase-Activated Near-Infrared Fluorogenic Probe for Live-Cell and In Vivo Imaging

ACS Sens., Article ASAP
DOI: 10.1021/acssensors.8b00697
***
Achieving Superprotonic Conduction with a 2D Fluorinated Metal–Organic Framework

J. Am. Chem. Soc., Article ASAP
DOI: 10.1021/jacs.8b06582
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ACS Editors’ Choice: Evolution and Future Directions of Metal-Free Atom Transfer Radical Polymerization — and More!

This week: Evolution and future directions of metal-free atom transfer radical polymerization, the virial theorem and covalent bonding, the accuracy, transferability, and efficiency of coarse-grained models of molecular liquids — and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
***
Toward the Total Synthesis of Ryanodol via Oxidative Alkyne–1,3-Diketone Annulation: Construction of a Ryanoid Tetracycle

Org. Lett., Article ASAP
DOI: 10.1021/acs.orglett.8b02767
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Activatable Semiconducting Oligomer Amphiphile for Near-Infrared Luminescence Imaging of Biothiols

ACS Appl. Bio Mater., Article ASAP
DOI: 10.1021/acsabm.8b00353
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Aqueous Electrolyte Compatible Electrochromic Polymers Processed from an Environmentally Sustainable Solvent

ACS Macro Lett., 2018, 7, pp 1208–1214
DOI: 10.1021/acsmacrolett.8b00551
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Evolution and Future Directions of Metal-Free Atom Transfer Radical Polymerization

Macromolecules, Article ASAP
DOI: 10.1021/acs.macromol.8b01401
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Streptavidin-Decorated Algorithmic DNA Lattices Constructed by Substrate-Assisted Growth Method

ACS Biomater. Sci. Eng., Article ASAP
DOI: 10.1021/acsbiomaterials.8b00950
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The Virial Theorem and Covalent Bonding

J. Phys. Chem. A, Article ASAP
DOI: 10.1021/acs.jpca.8b08234
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Accuracy, Transferability, and Efficiency of Coarse-Grained Models of Molecular Liquids

J. Phys. Chem. B, Article ASAP
DOI: 10.1021/acs.jpcb.8b06687
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