Discover the Most-Read Applied Chemistry Articles of August 2017

What were chemists reading in August of 2017? To find out, we’ve compiled lists of the five most-read chemistry articles that appeared in each applied chemistry ACS Publications journal in August 2017, including research, reviews, perspectives and editorial pieces. These lists were not chosen by the journals’ editors. The lists also don’t take other factors, such as citations, into account. This article should not be taken as a “best of” compilation, but rather as an interesting perspective on where the chemistry community allocated their attention recently. Don’t see your favorite paper on the list? Include it in the comments below.

Read More Great August 2017 Chemistry Research:
Analytical Chemistry | Biological Chemistry | Materials Science & Engineering | Multidisciplinary Chemistry | Organic/Inorganic Chemistry | Physical Chemistry

ACS Applied Materials & Interfaces

Graphene-Oxide-Assisted Synthesis of GaN Nanosheets as a New Anode Material for Lithium-Ion Battery
ACS Appl. Mater. Interfaces, 2017, 9 (32), pp 26631–26636
DOI: 10.1021/acsami.7b07277

Porous Two-Dimensional Monolayer Metal–Organic Framework Material and Its Use for the Size-Selective Separation of Nanoparticles
ACS Appl. Mater. Interfaces, 2017, 9 (33), pp 28107–28116
DOI: 10.1021/acsami.7b10228

Ultrasensitive Wearable Soft Strain Sensors of Conductive, Self-healing, and Elastic Hydrogels with Synergistic “Soft and Hard” Hybrid Networks
ACS Appl. Mater. Interfaces, 2017, 9 (30), pp 25559–25570
DOI: 10.1021/acsami.7b07639

Near-Infrared Triggered Upconversion Polymeric Nanoparticles Based on Aggregation-Induced Emission and Mitochondria Targeting for Photodynamic Cancer Therapy
ACS Appl. Mater. Interfaces, 2017, 9 (32), pp 26731–26739
DOI: 10.1021/acsami.7b07768

Hierarchical Porous Co9S8/Nitrogen-Doped Carbon@MoS2 Polyhedrons as pH Universal Electrocatalysts for Highly Efficient Hydrogen Evolution Reaction
ACS Appl. Mater. Interfaces, 2017, 9 (34), pp 28394–28405
DOI: 10.1021/acsami.7b06384

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ACS Biomaterials Science & Engineering

Preparation of Biodegradable Cationic Polycarbonates and Hydrogels through the Direct Polymerization of Quaternized Cyclic Carbonates
Open access through ACS AuthorChoice
ACS Biomater. Sci. Eng., 2017, 3 (8), pp 1567–1575
DOI: 10.1021/acsbiomaterials.7b00335

Advanced Biomanufacturing: A Radical Manufacturing Paradigm Shift from Conventional, Centralized, Off-the-Shelf Production to On-Demand, Decentralized, Plug-and-Play Production of Cell- and Tissue-Based Products
ACS Biomater. Sci. Eng., 2017, 3 (8), pp 1460–1461
DOI: 10.1021/acsbiomaterials.7b00535

Predehydration and Ice Seeding in the Presence of Trehalose Enable Cell Cryopreservation
Open access through ACS Editors’ Choice
ACS Biomater. Sci. Eng., 2017, 3 (8), pp 1758–1768
DOI: 10.1021/acsbiomaterials.7b00201

π-Conjugated Chromophore Incorporated Polystyrene Nanobeads as Single Optical Agent for Three-Channel Fluorescent Probe in Bioimaging Application
ACS Biomater. Sci. Eng., 2017, 3 (8), pp 1788–1798
DOI: 10.1021/acsbiomaterials.7b00259

Polydopamine Nanocapsule: A Theranostic Agent for Photoacoustic Imaging and Chemo-Photothermal Synergistic Therapy
ACS Biomater. Sci. Eng., 2017, 3 (8), pp 1799–1808
DOI: 10.1021/acsbiomaterials.7b00260

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ACS Combinatorial Science

Identification of Biologically Active Pyrimido[5,4-b]indoles That Prolong NF-κB Activation without Intrinsic Activity
ACS Comb. Sci., 2017, 19 (8), pp 533–543
DOI: 10.1021/acscombsci.7b00080

Poisson Statistics of Combinatorial Library Sampling Predict False Discovery Rates of Screening
Open access through ACS Editors’ Choice
ACS Comb. Sci., 2017, 19 (8), pp 524–532
DOI: 10.1021/acscombsci.7b00061

Microwave-Assisted Synthesis of Diversely Substituted Quinoline-Based Dihydropyridopyrimidine and Dihydropyrazolopyridine Hybrids
ACS Comb. Sci., 2017, 19 (8), pp 555–563
DOI: 10.1021/acscombsci.7b00091

Bias-Free Chemically Diverse Test Sets from Machine Learning
ACS Comb. Sci., 2017, 19 (8), pp 544–554
DOI: 10.1021/acscombsci.7b00087

Speeding up Early Drug Discovery in Antiviral Research: A Fragment-Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads
ACS Comb. Sci., 2017, 19 (8), pp 501–512
DOI: 10.1021/acscombsci.7b00039

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ACS Energy Letters

Are Metal Chalcogenides, Nitrides, and Phosphides Oxygen Evolution Catalysts or Bifunctional Catalysts?
ACS Energy Lett., 2017, 2 (8), pp 1937–1938
DOI: 10.1021/acsenergylett.7b00679

Ultralow Frequency Electrochemical–Mechanical Strain Energy Harvester Using 2D Black Phosphorus Nanosheets
Open access through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (8), pp 1797–1803
DOI: 10.1021/acsenergylett.7b00478

Perovskite Solar Cells—Towards Commercialization
ACS Energy Lett., 2017, 2 (8), pp 1749–1751
DOI: 10.1021/acsenergylett.7b00517

A Conversation with Al Bard
ACS Energy Lett., 2017, 2 (8), pp 1746–1748
DOI: 10.1021/acsenergylett.7b00566

Vapour-Deposited Cesium Lead Iodide Perovskites: Microsecond Charge Carrier Lifetimes and Enhanced Photovoltaic Performance
Open access through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (8), pp 1901–1908
DOI: 10.1021/acsenergylett.7b00591

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ACS Infectious Diseases

Human Milk Oligosaccharides Exhibit Antimicrobial and Antibiofilm Properties against Group B Streptococcus
Open access through ACS Editors’ Choice
ACS Infect. Dis., 2017, 3 (8), pp 595–605
DOI: 10.1021/acsinfecdis.7b00064

Nano Tools Pave the Way to New Solutions in Infectious Disease
ACS Infect. Dis., 2017, 3 (8), pp 554–558
DOI: 10.1021/acsinfecdis.7b00104

The Challenge of Overcoming Antibiotic Resistance: An Adjuvant Approach?
ACS Infect. Dis., 2017, 3 (8), pp 559–563
DOI: 10.1021/acsinfecdis.7b00071

Investigating the Interaction of Octapeptin A3 with Model Bacterial Membranes
ACS Infect. Dis., 2017, 3 (8), pp 606–619
DOI: 10.1021/acsinfecdis.7b00065

The Tyrosine Kinase Inhibitor Gefitinib Restricts Mycobacterium tuberculosis Growth through Increased Lysosomal Biogenesis and Modulation of Cytokine Signaling
ACS Infect. Dis., 2017, 3 (8), pp 564–574
DOI: 10.1021/acsinfecdis.7b00046

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ACS Medicinal Chemistry Letters

1-Benzyl-3-aryl-2-thiohydantoin Derivatives as New Anti-Trypanosoma brucei Agents: SAR and in Vivo Efficacy
Open access through ACS Editors’ Choice
ACS Med. Chem. Lett., 2017, 8 (8), pp 886–891
DOI: 10.1021/acsmedchemlett.7b00230

Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models
ACS Med. Chem. Lett., 2017, 8 (8), pp 869–874
DOI: 10.1021/acsmedchemlett.7b00220

Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional Group
ACS Med. Chem. Lett., 2017, 8 (8), pp 864–868
DOI: 10.1021/acsmedchemlett.7b00212

Synthesis and Activity of a New Series of Antileishmanial Agents
ACS Med. Chem. Lett., 2017, 8 (8), pp 797–801
DOI: 10.1021/acsmedchemlett.7b00039

N-Acylbenzenesulfonamide Dihydro-1,3,4-oxadiazole Hybrids: Seeking Selectivity toward Carbonic Anhydrase Isoforms
Open access through ACS Editors’ Choice
ACS Med. Chem. Lett., 2017, 8 (8), pp 792–796
DOI: 10.1021/acsmedchemlett.7b00205

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ACS Sensors

Evaluating Cellular Drug Uptake with Fluorescent Sensor Proteins
Open access through ACS Editors’ Choice
ACS Sens., 2017, 2 (8), pp 1191–1197
DOI: 10.1021/acssensors.7b00331

A Probe for the Detection of Hypoxic Cancer Cells
ACS Sens., 2017, 2 (8), pp 1139–1145
DOI: 10.1021/acssensors.7b00171

Single-Molecule Plasmon Sensing: Current Status and Future Prospects
Open access through ACS AuthorChoice
ACS Sens., 2017, 2 (8), pp 1103–1122
DOI: 10.1021/acssensors.7b00382

High-Performance Colorimetric Detection of Thiosulfate by Using Silver Nanoparticles for Smartphone-Based Analysis
ACS Sens., 2017, 2 (8), pp 1152–1159
DOI: 10.1021/acssensors.7b00257

Nitric Oxide Sensing through Azo-Dye Formation on Carbon Dots
ACS Sens., 2017, 2 (8), pp 1215–1224
DOI: 10.1021/acssensors.7b00356

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ACS Sustainable Chemistry & Engineering

Investigating the Role of Tunable Nitrogen Vacancies in Graphitic Carbon Nitride Nanosheets for Efficient Visible-Light-Driven H2 Evolution and CO2 Reduction
Open access through ACS Editors’ Choice
ACS Sustainable Chem. Eng., 2017, 5 (8), pp 7260–7268
DOI: 10.1021/acssuschemeng.7b01477

Photocatalytic Oxidation of Glucose into Formate on Nano TiO2 Catalyst
Open access through ACS Editors’ Choice
ACS Sustainable Chem. Eng., 2017, 5 (8), pp 6377–6381
DOI: 10.1021/acssuschemeng.7b00364

Nanocellulose Aerogels Inspired by Frozen Tofu
ACS Sustainable Chem. Eng., 2017, 5 (8), pp 6387–6391
DOI: 10.1021/acssuschemeng.7b01608

Ascorbic Acid as a Bifunctional Hydrogen Bond Donor for the Synthesis of Cyclic Carbonates from CO2 under Ambient Conditions
ACS Sustainable Chem. Eng., 2017, 5 (8), pp 6392–6397
DOI: 10.1021/acssuschemeng.7b01650

Facile Synthesis of Ni(OH)2/Carbon Nanofiber Composites for Improving NiZn Battery Cycling Life
Open access through ACS Editors’ Choice
ACS Sustainable Chem. Eng., 2017, 5 (8), pp 6827–6834
DOI: 10.1021/acssuschemeng.7b01048

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ACS Synthetic Biology

Introducing Our Authors
ACS Synth. Biol., 2017, 6 (8), pp 1435–1439
DOI: 10.1021/acssynbio.7b00275

Design of a Toolbox of RNA Thermometers
ACS Synth. Biol., 2017, 6 (8), pp 1461–1470
DOI: 10.1021/acssynbio.6b00301

Centromeric DNA Facilitates Nonconventional Yeast Genetic Engineering
ACS Synth. Biol., 2017, 6 (8), pp 1545–1553
DOI: 10.1021/acssynbio.7b00046

Amplifying Riboswitch Signal Output Using Cellular Wiring
ACS Synth. Biol., 2017, 6 (8), pp 1440–1444
DOI: 10.1021/acssynbio.6b00191

Synthetic Protein Scaffolds for Biosynthetic Pathway Colocalization on Lipid Droplet Membranes
ACS Synth. Biol., 2017, 6 (8), pp 1534–1544
DOI: 10.1021/acssynbio.7b00041

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Analytical Chemistry

Ultrasensitive Electrochemiluminescence Biosensor for MicroRNA Detection by 3D DNA Walking Machine Based Target Conversion and Distance-Controllable Signal Quenching and Enhancing
Anal. Chem., 2017, 89 (16), pp 8282–8287
DOI: 10.1021/acs.analchem.7b01409

Are Women Scientists Getting the Credit They Deserve?
Anal. Chem., 2017, 89 (15), pp 7817–7817
DOI: 10.1021/acs.analchem.7b02661

Fluorescence Light-Up Biosensor for MicroRNA Based on the Distance-Dependent Photoinduced Electron Transfer
Anal. Chem., 2017, 89 (16), pp 8429–8436
DOI: 10.1021/acs.analchem.7b01900

Top-down/Bottom-up Mass Spectrometry Workflow Using Dissolvable Polyacrylamide Gels
Anal. Chem., 2017, 89 (16), pp 8244–8250
DOI: 10.1021/acs.analchem.7b00357

Switchable Target-Responsive 3D DNA Hydrogels As a Signal Amplification Strategy Combining with SERS Technique for Ultrasensitive Detection of miRNA 155
Anal. Chem., 2017, 89 (16), pp 8538–8544
DOI: 10.1021/acs.analchem.7b02321

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Chemical Research in Toxicology

Repair-Resistant DNA Lesions
Open access through ACS Editors’ Choice
Chem. Res. Toxicol., 2017, 30 (8), pp 1517–1548
DOI: 10.1021/acs.chemrestox.7b00128

The Dihydroxy Metabolite of the Teratogen Thalidomide Causes Oxidative DNA Damage
Chem. Res. Toxicol., 2017, 30 (8), pp 1622–1628
DOI: 10.1021/acs.chemrestox.7b00127

Street-Like Synthesis of Krokodil Results in the Formation of an Enlarged Cluster of Known and New Morphinans
Chem. Res. Toxicol., 2017, 30 (8), pp 1609–1621
DOI: 10.1021/acs.chemrestox.7b00126

Molecular Modeling of the Major DNA Adduct Formed from Food Mutagen Ochratoxin A in NarI Two-Base Deletion Duplexes: Impact of Sequence Context and Adduct Ionization on Conformational Preference and Mutagenicity
Chem. Res. Toxicol., 2017, 30 (8), pp 1582–1591
DOI: 10.1021/acs.chemrestox.7b00103

Spotlight
Chem. Res. Toxicol., 2017, 30 (8), pp 1515–1516
DOI: 10.1021/acs.chemrestox.7b00208

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Crystal Growth & Design

Metal–Organic Frameworks: Examples, Counterexamples, and an Actionable Definition
Cryst. Growth Des., 2017, 17 (8), pp 4043–4048
DOI: 10.1021/acs.cgd.7b00808

Syntheses of Novel Lanthanide Metal–Organic Frameworks for Highly Efficient Visible-Light-Driven Dye Degradation
Cryst. Growth Des., 2017, 17 (8), pp 4189–4195
DOI: 10.1021/acs.cgd.7b00504

Stepwise Synthesis of Diverse Isomer MOFs via Metal-Ion Metathesis in a Controlled Single-Crystal-to-Single-Crystal Transformation
Cryst. Growth Des., 2017, 17 (8), pp 4084–4089
DOI: 10.1021/acs.cgd.7b00118

Post-Synthetic Annealing: Linker Self-Exchange in UiO-66 and Its Effect on Polymer–Metal Organic Framework Interaction
Cryst. Growth Des., 2017, 17 (8), pp 4384–4392
DOI: 10.1021/acs.cgd.7b00685

Stability of Pharmaceutical Cocrystal During Milling: A Case Study of 1:1 Caffeine–Glutaric Acid
Cryst. Growth Des., 2017, 17 (8), pp 4064–4071
DOI: 10.1021/acs.cgd.6b01160

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Energy & Fuels

Zeolite Materials for Biomass Conversion to Biofuel
Energy Fuels, 2017, 31 (8), pp 7721–7733
DOI: 10.1021/acs.energyfuels.7b01057

Review on Surfactant Flooding: Phase Behavior, Retention, IFT, and Field Applications
Energy Fuels, 2017, 31 (8), pp 7701–7720
DOI: 10.1021/acs.energyfuels.7b00353

Nanofluid Enhanced Oil Recovery Using Hydrophobically Associative Zwitterionic Polymer-Coated Silica Nanoparticles
Energy Fuels, 2017, 31 (8), pp 7777–7782
DOI: 10.1021/acs.energyfuels.7b00455

Fe–Ni–MCM-41 Catalysts for Hydrogen-Rich Syngas Production from Waste Plastics by Pyrolysis–Catalytic Steam Reforming
Open access through ACS AuthorChoice
Energy Fuels, 2017, 31 (8), pp 8497–8504
DOI: 10.1021/acs.energyfuels.7b01368

Continuous Ozonolysis Process To Produce Non-CO Off-Gassing Wood Pellets
Energy Fuels, 2017, 31 (8), pp 8228–8234
DOI: 10.1021/acs.energyfuels.7b01093

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Environmental Science & Technology

Environmental Applications of 2D Molybdenum Disulfide (MoS2) Nanosheets
Environ. Sci. Technol., 2017, 51 (15), pp 8229–8244
DOI: 10.1021/acs.est.7b01466

The Combined QSAR-ICE Models: Practical Application in Ecological Risk Assessment and Water Quality Criteria
Environ. Sci. Technol., 2017, 51 (16), pp 8877–8878
DOI: 10.1021/acs.est.7b02736

Characterizing Aggregated Exposure to Primary Particulate Matter: Recommended Intake Fractions for Indoor and Outdoor Sources
Open access through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (16), pp 9089–9100
DOI: 10.1021/acs.est.7b02589

Activity and Reactivity of Pyrogenic Carbonaceous Matter toward Organic Compounds
Environ. Sci. Technol., 2017, 51 (16), pp 8893–8908
DOI: 10.1021/acs.est.7b01088

Emissions from Electronic Cigarettes: Assessing Vapers’ Intake of Toxic Compounds, Secondhand Exposures, and the Associated Health Impacts
Environ. Sci. Technol., 2017, 51 (16), pp 9271–9279
DOI: 10.1021/acs.est.7b00710

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Environmental Science & Technology Letters

Worksite Chemical Air Emissions and Worker Exposure during Sanitary Sewer and Stormwater Pipe Rehabilitation Using Cured-in-Place-Pipe (CIPP)
Open access through ACS AuthorChoice
Environ. Sci. Technol. Lett., 2017, 4 (8), pp 325–333
DOI: 10.1021/acs.estlett.7b00237

Large Reductions in Solar Energy Production Due to Dust and Particulate Air Pollution
Open access through ACS Editors’ Choice
Environ. Sci. Technol. Lett., 2017, 4 (8), pp 339–344
DOI: 10.1021/acs.estlett.7b00197

Ten Activities That Demonstrate You Are Not Thinking about the Future
Environ. Sci. Technol. Lett., 2017, 4 (8), pp 323–324
DOI: 10.1021/acs.estlett.7b00305

Rapid Release of Arsenite from Roxarsone Bioreduction by Exoelectrogenic Bacteria
Environ. Sci. Technol. Lett., 2017, 4 (8), pp 350–355
DOI: 10.1021/acs.estlett.7b00227

Protection of Electroactive Biofilm from Extreme Acid Shock by Polydopamine Encapsulation
Environ. Sci. Technol. Lett., 2017, 4 (8), pp 345–349
DOI: 10.1021/acs.estlett.7b00242

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Industrial & Engineering Chemistry Research

Synthesis and Characterization of Bio-oil-Based Self-Curing Epoxy Resin
Ind. Eng. Chem. Res., 2017, 56 (33), pp 9389–9400
DOI: 10.1021/acs.iecr.7b02123

Virtual Special Issue: Invited Papers from the 252nd ACS National Meeting in Philadelphia
Ind. Eng. Chem. Res., 2017, 56 (31), pp 8787–8788
DOI: 10.1021/acs.iecr.7b02943

Probing Thiophenol Pollutant in Solutions and Cells with BODIPY-Based Fluorescent Probe
Ind. Eng. Chem. Res., 2017, 56 (33), pp 9303–9309
DOI: 10.1021/acs.iecr.7b02557

Layer-by-Layer Assembly of Hypophosphorous Acid-Modified Chitosan Based Coating for Flame-Retardant Polyester–Cotton Blends
Ind. Eng. Chem. Res., 2017, 56 (34), pp 9429–9436
DOI: 10.1021/acs.iecr.7b02303

Design and Control of a Heat Pump-Assisted Azeotropic Dividing Wall Column for EDA/Water Separation
Ind. Eng. Chem. Res., 2017, 56 (34), pp 9770–9777
DOI: 10.1021/acs.iecr.7b02466

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Journal of Agricultural and Food Chemistry

Detection of Pesticide Residues in Food Using Surface-Enhanced Raman Spectroscopy: A Review
J. Agric. Food Chem., 2017, 65 (32), pp 6719–6726
DOI: 10.1021/acs.jafc.7b02504

Carbon Dioxide as a Traceless Caramelization Promotor: Preparation of Prebiotic Difructose Dianhydrides (DFAs)-Enriched Caramels from d-Fructose
Open access through ACS Editors’ Choice
J. Agric. Food Chem., 2017, 65 (30), pp 6093–6099
DOI: 10.1021/acs.jafc.7b01601

A Search for CD36 Ligands from Flavor Volatiles in Foods with an Aldehyde Moiety: Identification of Saturated Aliphatic Aldehydes with 9–16 Carbon Atoms as Potential Ligands of the Receptor
Open access through ACS Editors’ Choice
J. Agric. Food Chem., 2017, 65 (31), pp 6647–6655
DOI: 10.1021/acs.jafc.7b01890

Edible Nanoencapsulation Vehicles for Oral Delivery of Phytochemicals: A Perspective Paper
J. Agric. Food Chem., 2017, 65 (32), pp 6727–6735
DOI: 10.1021/acs.jafc.7b0212

Diarylheptanoids from Rhizomes of Alpinia officinarum Inhibit Aggregation of α-Synuclein
J. Agric. Food Chem., 2017, 65 (31), pp 6608–6614
DOI: 10.1021/acs.jafc.7b020218

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Journal of Chemical & Engineering Data

Guidelines for the Analysis of Vapor–Liquid Equilibrium Data
J. Chem. Eng. Data, 2017, 62 (8), pp 2231–2233
DOI: 10.1021/acs.jced.7b00582

Interfacial Tension and Related Properties of Ionic Liquids in CH4 and CO2 at Elevated Pressures: Experimental Data and Molecular Dynamics Simulation
J. Chem. Eng. Data, 2017, 62 (8), pp 2234–2243
DOI: 10.1021/acs.jced.6b00751

Molecular Dynamics Simulation for the Calibration of the OPLS Force Field Using DFT Derived Partial Charges for the Screening of Alkyl Phosphate Ligands by Studying Structure, Dynamics, and Thermodynamics
J. Chem. Eng. Data, 2017, 62 (8), pp 2280–2295
DOI: 10.1021/acs.jced.7b00096

Solubility of Carbon Dioxide in Aqueous Solutions of Three Secondary Amines: 2-(Butylamino)ethanol, 2-(Isopropylamino)ethanol, and 2-(Ethylamino)ethanol Secondary Alkanolamine Solutions
J. Chem. Eng. Data, 2017, 62 (8), pp 2428–2435
DOI: 10.1021/acs.jced.7b00364

Study of CO2 Absorption into Phase Change Solvents MAPA and DEEA
J. Chem. Eng. Data, 2017, 62 (8), pp 2261–2271
DOI: 10.1021/acs.jced.6b01038

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Journal of Chemical Information and Modeling

Is Multitask Deep Learning Practical for Pharma?
J. Chem. Inf. Model., 2017, 57 (8), pp 2068–2076
DOI: 10.1021/acs.jcim.7b00146

Conformation Generation: The State of the Art
J. Chem. Inf. Model., 2017, 57 (8), pp 1747–1756
DOI: 10.1021/acs.jcim.7b00221

Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining Approach
J. Chem. Inf. Model., 2017, 57 (8), pp 1816–1831
DOI: 10.1021/acs.jcim.7b00249

FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity
Open access through ACS AuthorChoice
J. Chem. Inf. Model., 2017, 57 (8), pp 1832–1846
DOI: 10.1021/acs.jcim.7b00250

Characterizing Drug–Target Residence Time with Metadynamics: How To Achieve Dissociation Rate Efficiently without Losing Accuracy against Time-Consuming Approaches
J. Chem. Inf. Model., 2017, 57 (8), pp 1895–1906
DOI: 10.1021/acs.jcim.7b00075

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Journal of Chemical Theory and Computation

An Ab Initio Exciton Model Including Charge-Transfer Excited States
Open access through ACS ACS Editors’ Choice
J. Chem. Theory Comput., 2017, 13 (8), pp 3493–3504
DOI: 10.1021/acs.jctc.7b00171

Kinetics from Replica Exchange Molecular Dynamics Simulations
J. Chem. Theory Comput., 2017, 13 (8), pp 3927–3935
DOI: 10.1021/acs.jctc.7b00372

Marcus Theory of Ion-Pairing
J. Chem. Theory Comput., 2017, 13 (8), pp 3470–3477
DOI: 10.1021/acs.jctc.7b00332

Redox Potentials from Ab Initio Molecular Dynamics and Explicit Entropy Calculations: Application to Transition Metals in Aqueous Solution
J. Chem. Theory Comput., 2017, 13 (8), pp 3432–3441
DOI: 10.1021/acs.jctc.7b00314

Accurate DFT-D3 Calculations in a Small Basis Set
J. Chem. Theory Comput., 2017, 13 (8), pp 3575–3585
DOI: 10.1021/acs.jctc.7b00365

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Journal of Medicinal Chemistry

Synthetic Approaches to the New Drugs Approved During 2015
Open access through ACS ACS Editors’ Choice
J. Med. Chem., 2017, 60 (15), pp 6480–6515
DOI: 10.1021/acs.jmedchem.7b00010

Discovery and Kinetic Profiling of 7-Aryl-1,2,4-triazolo[4,3-a]pyridines: Positive Allosteric Modulators of the Metabotropic Glutamate Receptor 2
Open access through ACS ACS Editors’ Choice
J. Med. Chem., 2017, 60 (15), pp 6704–6720
DOI: 10.1021/acs.jmedchem.7b00669

Discovery of the Irreversible Covalent FGFR Inhibitor 8-(3-(4-Acryloylpiperazin-1-yl)propyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (PRN1371) for the Treatment of Solid Tumors
J. Med. Chem., 2017, 60 (15), pp 6516–6527
DOI: 10.1021/acs.jmedchem.7b00360

Discovery of Novel and Highly Selective Inhibitors of Calpain for the Treatment of Alzheimer’s Disease: 2-(3-Phenyl-1H-pyrazol-1-yl)-nicotinamides
J. Med. Chem., 2017, 60 (16), pp 7123–7138
DOI: 10.1021/acs.jmedchem.7b00731

Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7
J. Med. Chem., 2017, 60 (16), pp 7029–7042
DOI: 10.1021/acs.jmedchem.7b00598

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Journal of Natural Products

Bioinspired Indole Prenylation Reactions in Water
Open access through ACS ACS Editors’ Choice
J. Nat. Prod., 2017, 80 (8), pp 2371–2378
DOI: 10.1021/acs.jnatprod.7b00464

Dioxomorpholines and Derivatives from a Marine-Facultative Aspergillus Species
J. Nat. Prod., 2017, 80 (8), pp 2311–2318
DOI: 10.1021/acs.jnatprod.7b00331

Anti-inflammatory Meroterpenoids from Baeckea frutescens
J. Nat. Prod., 2017, 80 (8), pp 2204–2214
DOI: 10.1021/acs.jnatprod.7b00042

Isolation, Structure Elucidition, and Immunosuppressive Activity of Diterpenoids from Ligularia fischeri
J. Nat. Prod., 2017, 80 (8), pp 2263–2268
DOI: 10.1021/acs.jnatprod.7b00198

Antarctic Moss Biflavonoids Show High Antioxidant and Ultraviolet-Screening Activity
J. Nat. Prod., 2017, 80 (8), pp 2224–2231
DOI: 10.1021/acs.jnatprod.7b00085

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The Journal of Physical Chemistry A

How Large is the Elephant in the Density Functional Theory Room?
Open access through ACS ACS Editors’ Choice
J. Phys. Chem. A, 2017, 121 (32), pp 6104–6107
DOI: 10.1021/acs.jpca.7b04760

Multireference Electronic Structures of Fe–Pyridine(diimine) Complexes over Multiple Oxidation States
J. Phys. Chem. A, 2017, 121 (31), pp 5932–5939
DOI: 10.1021/acs.jpca.7b06032

Quantification of Hydrogen Bond Strength Based on Interaction Coordinates: A New Approach
J. Phys. Chem. A, 2017, 121 (32), pp 6090–6103
DOI: 10.1021/acs.jpca.7b04752

A Combined Theoretical and Experimental Study of Sarin (GB) Decomposition at High Temperatures
Open access through ACS AuthorChoice
J. Phys. Chem. A, 2017, 121 (33), pp 6200–6210
DOI: 10.1021/acs.jpca.7b04282

New Physical Insights: Magnetic Resonance Methods and Applications
J. Phys. Chem. A, 2017, 121 (33), pp 6199–6199
DOI: 10.1021/acs.jpca.7b07850

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The Journal of Physical Chemistry B

Crowding in Cellular Environments at an Atomistic Level from Computer Simulations
Open access through ACS ACS Editors’ Choice
J. Phys. Chem. B, 2017, 121 (34), pp 8009–8025
DOI: 10.1021/acs.jpcb.7b03570

Kinetic Model for Two-Step Nucleation of Peptide Assembly
J. Phys. Chem. B, 2017, 121 (31), pp 7401–7411
DOI: 10.1021/acs.jpcb.7b03085

Limits on Natural Photosynthesis
J. Phys. Chem. B, 2017, 121 (30), pp 7229–7234
DOI: 10.1021/acs.jpcb.7b03024

Glucose and Mannose: A Link between Hydration and Sweetness
J. Phys. Chem. B, 2017, 121 (33), pp 7771–7776
DOI: 10.1021/acs.jpcb.7b03919

C–H···O Interaction in Methanol–Water Solution Revealed from Raman Spectroscopy and Theoretical Calculations
J. Phys. Chem. B, 2017, 121 (34), pp 8179–8187
DOI: 10.1021/acs.jpcb.7b06036

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The Journal of Physical Chemistry C

Doped Amorphous Ti Oxides To Deoptimize Oxygen Reduction Reaction Catalysis
Open access through ACS AuthorChoice
J. Phys. Chem. C, 2017, 121 (31), pp 16825–16830
DOI: 10.1021/acs.jpcc.7b04210

Positron Probing of Liquid-free Volume To Investigate Adsorption–Desorption Behavior of Water in Two-Dimensional Mesoporous SBA-3
Open access through ACS Editors’ Choice
J. Phys. Chem. C, 2017, 121 (32), pp 17251–17262
DOI: 10.1021/acs.jpcc.7b04317

Solvent-Assisted Self-Assembly of CsPbBr3 Perovskite Nanocrystals into One-Dimensional Superlattice
J. Phys. Chem. C, 2017, 121 (33), pp 18186–18194
DOI: 10.1021/acs.jpcc.7b03939

Photophysics of an Asymmetric Donor–Acceptor–Donor′ TADF Molecule and Reinterpretation of Aggregation-Induced TADF Emission in These Materials
J. Phys. Chem. C, 2017, 121 (33), pp 17764–17772
DOI: 10.1021/acs.jpcc.7b06299

New Physical Insights for Manuscripts on Organic and Perovskite-based Photovoltaics (and Other Optoelectronic Devices)
J. Phys. Chem. C, 2017, 121 (33), pp 17559–17559
DOI: 10.1021/acs.jpcc.7b07675

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The Journal of Physical Chemistry Letters

Building Blocks for High Performance in Electrocatalytic CO2 Reduction: Materials, Optimization Strategies, and Device Engineering
Open access through ACS AuthorChoice
J. Phys. Chem. Lett., 2017, 8 (16), pp 3933–3944
DOI: 10.1021/acs.jpclett.7b01380

Simulating Chemical Kinetics Without Differential Equations: A Quantitative Theory Based on Chemical Pathways
J. Phys. Chem. Lett., 2017, 8 (16), pp 3826–3833
DOI: 10.1021/acs.jpclett.7b01760

In the Limelight
J. Phys. Chem. Lett., 2017, 8 (15), pp 3718–3719
DOI: 10.1021/acs.jpclett.7b01914

Biexciton Resonances Reveal Exciton Localization in Stacked Perovskite Quantum Wells
J. Phys. Chem. Lett., 2017, 8 (16), pp 3895–3901
DOI: 10.1021/acs.jpclett.7b01621

Dynamic Disorder and Potential Fluctuation in Two-Dimensional Perovskite
J. Phys. Chem. Lett., 2017, 8 (16), pp 3875–3880
DOI: 10.1021/acs.jpclett.7b01501

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Journal of Proteome Research

Quantitative Analysis of Human Red Blood Cell Proteome
Open access through ACS AuthorChoice
J. Proteome Res., 2017, 16 (8), pp 2752–2761
DOI: 10.1021/acs.jproteome.7b00025

Targeted Feature Detection for Data-Dependent Shotgun Proteomics
Open access through ACS AuthorChoice
J. Proteome Res., 2017, 16 (8), pp 2964–2974
DOI: 10.1021/acs.jproteome.7b00248

Quantitative Assessment of the Effects of Trypsin Digestion Methods on Affinity Purification–Mass Spectrometry-based Protein–Protein Interaction Analysis
J. Proteome Res., 2017, 16 (8), pp 3068–3082
DOI: 10.1021/acs.jproteome.7b00432

A Human Tyrosine Phosphatase Interactome Mapped by Proteomic Profiling
Open access through ACS AuthorChoice
J. Proteome Res., 2017, 16 (8), pp 2789–2801
DOI: 10.1021/acs.jproteome.7b00065

Characterization of the Extracellular Matrix of Normal and Diseased Tissues Using Proteomics
J. Proteome Res., 2017, 16 (8), pp 3083–3091
DOI: 10.1021/acs.jproteome.7b00191

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Molecular Pharmaceutics

Polymers in Drug Delivery: Chemistry and Applications
Mol. Pharmaceutics, 2017, 14 (8), pp 2459–2459
DOI: 10.1021/acs.molpharmaceut.7b00567

Polymeric Nanocarriers Based on Cyclodextrins for Drug Delivery: Host–Guest Interaction as Stimuli Responsive Linker
Mol. Pharmaceutics, 2017, 14 (8), pp 2475–2486
DOI: 10.1021/acs.molpharmaceut.7b00160

Stimulus-Responsive Degradable Polylactide-Based Block Copolymer Nanoassemblies for Controlled/Enhanced Drug Delivery
Mol. Pharmaceutics, 2017, 14 (8), pp 2460–2474
DOI: 10.1021/acs.molpharmaceut.7b00284

Magnetic Resonance Imaging Quantification of Fasted State Colonic Liquid Pockets in Healthy Humans
Open access through ACS AuthorChoice
Mol. Pharmaceutics, 2017, 14 (8), pp 2629–2638
DOI: 10.1021/acs.molpharmaceut.7b00095

Multiresponsive Nanogels for Targeted Anticancer Drug Delivery
Mol. Pharmaceutics, 2017, 14 (8), pp 2624–2628
DOI: 10.1021/acs.molpharmaceut.7b00325

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Organic Process Research & Development

BMS-663068: Another Quiet Victory for Chemistry
Open access through Editors’ Choice
Org. Process Res. Dev., 2017, 21 (8), pp 1091–1094
DOI: 10.1021/acs.oprd.7b00208

Preparation of the HIV Attachment Inhibitor BMS-663068. Part 1. Evolution of Enabling Strategies
Org. Process Res. Dev., 2017, 21 (8), pp 1095–1109
DOI: 10.1021/acs.oprd.7b00134

Preparation of the HIV Attachment Inhibitor BMS-663068. Part 2. Strategic Selections in the Transition from an Enabling Route to a Commercial Synthesis
Org. Process Res. Dev., 2017, 21 (8), pp 1110–1121
DOI: 10.1021/acs.oprd.7b00121

Preparation of the HIV Attachment Inhibitor BMS-663068. Part 3. Mechanistic Studies Enable a Scale-Independent Friedel–Crafts Acylation
Org. Process Res. Dev., 2017, 21 (8), pp 1122–1130
DOI: 10.1021/acs.oprd.7b00115

Preparation of the HIV Attachment Inhibitor BMS-663068. Part 9. Active Pharmaceutical Ingredient Process Development and Powder Properties
Org. Process Res. Dev., 2017, 21 (8), pp 1174–1185
DOI: 10.1021/acs.oprd.7b00138

 

 

 

 

If you have comments or questions for the author of this post, please e-mail: Axial@acs.org.