There are lots of different ways to look at the reach of an article. You can look at citations, Altmetric Attention Scores, awards, and more. One way to consider the influence of an article is just by looking at how many people chose to read it. To that end, we’ve compiled lists of the five […]
There are lots of different ways to look at the reach of an article. You can look at citations, Altmetric Attention Scores, awards, and more. One way to consider the influence of an article is just by looking at how many people chose to read it. To that end, we’ve compiled lists of the five most-read chemistry articles that appeared in each ACS Publications journal in 2017, including research, reviews, perspectives and editorial pieces. These lists were not chosen by the journal’s editors and should not be taken as a “best of” list, but as another perspective on where the chemistry community allocated their attention over the past year.
Read more of 2017’s most-read articles: Analytical | Biological | Materials Science & Engineering | Multidisciplinary | Organic/Inorganic | Physical
***
ACS Applied Materials & Interfaces
3D-Printed Self-Folding Electronics
Open access through ACS Editors’ Choice
ACS Appl. Mater. Interfaces, 2017, 9 (37), pp 32290–32298
DOI: 10.1021/acsami.7b10443
Designing Self-Healing Superhydrophobic Surfaces with Exceptional Mechanical Durability
ACS Appl. Mater. Interfaces, 2017, 9 (12), pp 11212–11223
DOI: 10.1021/acsami.6b15491
Three-Dimensional Arylene Diimide Frameworks for Highly Stable Lithium Ion Batteries
Open access through ACS Editors’ Choice
ACS Appl. Mater. Interfaces, 2017, 9 (18), pp 15631–15637
DOI: 10.1021/acsami.7b02336
Progress on Perovskite Materials and Solar Cells with Mixed Cations and Halide Anions
ACS Appl. Mater. Interfaces, 2017, 9 (36), pp 30197–30246
DOI: 10.1021/acsami.7b06001
***
ACS Applied Energy Materials
Surface Self-Assembly of Functional Electroactive Nanofibers on Textile Yarns as a Facile Approach toward Super Flexible Energy Storage
ACS Appl. Energy Mater., Article ASAP
DOI: 10.1021/acsaem.7b00057
Homogeneous Sulfur–Cobalt Sulfide Nanocomposites as Lithium–Sulfur Battery Cathodes with Enhanced Reaction Kinetics
ACS Appl. Energy Mater., Article ASAP
DOI: 10.1021/acsaem.7b00049
Reduction Depth Dependent Structural Reversibility of Sn3(PO4)2
ACS Appl. Energy Mater., Article ASAP
DOI: 10.1021/acsaem.7b00024
Compositional Engineering To Improve the Stability of Lead Halide Perovskites: A Comparative Study of Cationic and Anionic Dopants
ACS Appl. Energy Mater., Article ASAP
DOI: 10.1021/acsaem.7b00065
Exploration of the Active Center Structure of Nitrogen-Doped Graphene for Control over the Growth of Co3O4 for a High-Performance Supercapacitor
ACS Appl. Energy Mater., Article ASAP
DOI: 10.1021/acsaem.7b00040
***
ACS Applied Nano Materials
Covalent Organic Frameworks as the Coating Layer of Ceramic Separator for High-Efficiency Lithium–Sulfur Batteries
ACS Appl. Nano Mater., Article ASAP
DOI: 10.1021/acsanm.7b00057
Construction of Porous Organic Nanostructures Using Cooperative Self-Assembly for Lipase-Catalyzed Inclusion of Gastrodigenin
ACS Appl. Nano Mater., Article ASAP
DOI: 10.1021/acsanm.7b00085
Ionization-Induced Reversible Aggregation of Self-Assembled Polycarbonyl Hydrazide Nanoparticles: A Potential Candidate for Turn-On Base Sensor and pH-Switchable Materials
ACS Appl. Nano Mater., Article ASAP
DOI: 10.1021/acsanm.7b00039
Stimulating the Visible-Light Catalytic Activity of Bi2MoO6 Nanoplates by Embedding Carbon Dots for the Efficient Oxidation, Cascade Reaction, and Photoelectrochemical O2 Evolution
ACS Appl. Nano Mater., Article ASAP
DOI: 10.1021/acsanm.7b00282
Paper-Based All-Solid-State Ion-Sensing Platform with a Solid Contact Comprising Colloid-Imprinted Mesoporous Carbon and a Redox Buffer
ACS Appl. Nano Mater., Article ASAP
DOI: 10.1021/acsanm.7b00151
***
ACS Biomaterials Science & Engineering
Metal-Chelation-Assisted Deposition of Polydopamine on Human Hair: A Ready-to-Use Eumelanin-Based Hair Dyeing Methodology
ACS Biomater. Sci. Eng., 2017, 3 (4), pp 628–636
DOI: 10.1021/acsbiomaterials.7b00031
Surface Analysis of Nanocomplexes by X-ray Photoelectron Spectroscopy (XPS)
Open access through Editors’ Choice
ACS Biomater. Sci. Eng., 2017, 3 (6), pp 882–889
DOI: 10.1021/acsbiomaterials.7b00040
Preparation of Biodegradable Cationic Polycarbonates and Hydrogels through the Direct Polymerization of Quaternized Cyclic Carbonates
Open access through Editors’ Choice
ACS Biomater. Sci. Eng., 2017, 3 (8), pp 1567–1575
DOI: 10.1021/acsbiomaterials.7b00335
Bioconjugation of Gold Nanobipyramids for SERS Detection and Targeted Photothermal Therapy in Breast Cancer
Open access through Editors’ Choice
ACS Biomater. Sci. Eng., 2017, 3 (4), pp 608–618
DOI: 10.1021/acsbiomaterials.7b00021
3D Printing of a Double Network Hydrogel with a Compression Strength and Elastic Modulus Greater than those of Cartilage
ACS Biomater. Sci. Eng., 2017, 3 (5), pp 863–869
DOI: 10.1021/acsbiomaterials.7b00094
***
ACS Combinatorial Science
An Integrated Microfluidic Processor for DNA-Encoded Combinatorial Library Functional Screening
Open access through Editors’ Choice
ACS Comb. Sci., 2017, 19 (3), pp 181–192
DOI: 10.1021/acscombsci.6b00192
Poisson Statistics of Combinatorial Library Sampling Predict False Discovery Rates of Screening
ACS Comb. Sci., 2017, 19 (8), pp 524–532
DOI: 10.1021/acscombsci.7b00061
Rationally Designed Peptides and Peptidomimetics as Inhibitors of Amyloid-β (Aβ) Aggregation: Potential Therapeutics of Alzheimer’s Disease
ACS Comb. Sci., 2017, 19 (2), pp 55–80
DOI: 10.1021/acscombsci.6b00116
Automated Phase Mapping with AgileFD and its Application to Light Absorber Discovery in the V–Mn–Nb Oxide System
Open access through Editors’ Choice
ACS Comb. Sci., 2017, 19 (1), pp 37–46
DOI: 10.1021/acscombsci.6b00153
Technical Advances in Medicinal Chemistry
ACS Comb. Sci., 2017, 19 (5), pp 277–278
DOI: 10.1021/acscombsci.7b00053
***
ACS Energy Letters
Performance Metrics Required of Next-Generation Batteries to Make a Practical Electric Semi Truck
ACS Energy Lett., 2017, 2 (7), pp 1669–1673
DOI: 10.1021/acsenergylett.7b00432
Nickel-Rich Layered Cathode Materials for Automotive Lithium-Ion Batteries: Achievements and Perspectives
ACS Energy Lett., 2017, 2 (1), pp 196–223
DOI: 10.1021/acsenergylett.6b00594
Lead Halide Perovskite Nanocrystals in the Research Spotlight: Stability and Defect Tolerance
Open access through Editors’ Choice
ACS Energy Lett., 2017, 2 (9), pp 2071–2083
DOI: 10.1021/acsenergylett.7b00547
Beyond Colloidal Cesium Lead Halide Perovskite Nanocrystals: Analogous Metal Halides and Doping
Open access through Editors’ Choice
ACS Energy Lett., 2017, 2 (5), pp 1089–1098
DOI: 10.1021/acsenergylett.7b00191
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
***
ACS Infectious Diseases
Human Milk Oligosaccharides Exhibit Antimicrobial and Antibiofilm Properties against Group B Streptococcus
Open access through Editors’ Choice
ACS Infect. Dis., 2017, 3 (8), pp 595–605
DOI: 10.1021/acsinfecdis.7b00064
Hydrophilic Phage-Mimicking Membrane Active Antimicrobials Reveal Nanostructure-Dependent Activity and Selectivity
Open access through Editors’ Choice
ACS Infect. Dis., 2017, 3 (9), pp 676–687
DOI: 10.1021/acsinfecdis.7b00076
Discovery of a Novel Nitric Oxide Binding Protein and Nitric-Oxide-Responsive Signaling Pathway in Pseudomonas aeruginosa
Open access through Editors’ Choice
ACS Infect. Dis., 2017, 3 (6), pp 454–461
DOI: 10.1021/acsinfecdis.7b00027
Rational Design of Single-Chain Polymeric Nanoparticles That Kill Planktonic and Biofilm Bacteria
ACS Infect. Dis., 2017, 3 (3), pp 237–248
DOI: 10.1021/acsinfecdis.6b00203
Ribosome Rescue Inhibitors Kill Actively Growing and Nonreplicating Persister Mycobacterium tuberculosis Cells
ACS Infect. Dis., 2017, 3 (9), pp 634–644
DOI: 10.1021/acsinfecdis.7b00028
***
INCB24360 (Epacadostat), a Highly Potent and Selective Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitor for Immuno-oncology
Open access through Editors’ Choice
ACS Med. Chem. Lett., 2017, 8 (5), pp 486–491
DOI: 10.1021/acsmedchemlett.6b00391
Medicinal Chemistry: Where Are All the Women?
ACS Med. Chem. Lett., 2017, 8 (9), pp 900–902
DOI: 10.1021/acsmedchemlett.7b00321
Practical High-Throughput Experimentation for Chemists
Open access through ACS AuthorChoice
ACS Med. Chem. Lett., 2017, 8 (6), pp 601–607
DOI: 10.1021/acsmedchemlett.7b00165
Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin
Open access through Editors’ Choice
ACS Med. Chem. Lett., 2017, 8 (3), pp 321–326
DOI: 10.1021/acsmedchemlett.6b00491
Discovery of Potent and Selective Tricyclic Inhibitors of Bruton’s Tyrosine Kinase with Improved Druglike Properties
Open access through Editors’ Choice
ACS Med. Chem. Lett., 2017, 8 (6), pp 608–613
DOI: 10.1021/acsmedchemlett.7b00103
***
ACS Sensors
Wearable Flexible and Stretchable Glove Biosensor for On-Site Detection of Organophosphorus Chemical Threats
Open access through Editors’ Choice
ACS Sens., 2017, 2 (4), pp 553–561
DOI: 10.1021/acssensors.7b00051
Ingestible Sensors
Open access through Editors’ Choice
ACS Sens., 2017, 2 (4), pp 468–483
DOI: 10.1021/acssensors.7b00045
3D Printed “Earable” Smart Devices for Real-Time Detection of Core Body Temperature
Open access through Editors’ Choice
ACS Sens., 2017, 2 (7), pp 990–997
DOI: 10.1021/acssensors.7b00247
Wearable Ring-Based Sensing Platform for Detecting Chemical Threats
Open access through Editors’ Choice
ACS Sens., 2017, 2 (10), pp 1531–1538
DOI: 10.1021/acssensors.7b00603
Single Molecule Nanopore Spectrometry for Peptide Detection
Open access through Editors’ Choice
ACS Sens., 2017, 2 (9), pp 1319–1328
DOI: 10.1021/acssensors.7b00362
***
ACS Sustainable Chemistry & Engineering
Mass Efficiency of Alkene Syntheses with Tri- and Tetrasubstituted Double Bonds
Open access through Editors’ Choice
ACS Sustainable Chem. Eng., 2017, 5 (11), pp 10459–10473
DOI: 10.1021/acssuschemeng.7b02479
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 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 Editors’ Choice
ACS Sustainable Chem. Eng., 2017, 5 (8), pp 6377–6381
DOI: 10.1021/acssuschemeng.7b00364
A Method for Assessing Greener Alternatives between Chemical Products Following the 12 Principles of Green Chemistry
Open access through ACS AuthorChoice
ACS Sustainable Chem. Eng., 2017, 5 (4), pp 2927–2935
DOI: 10.1021/acssuschemeng.6b02399
Rigid Polyurethane Foam Fabrication Using Medium Chain Glycerides of Coconut Oil and Plastics from End-of-Life Vehicles
Open access through Editors’ Choice
ACS Sustainable Chem. Eng., 2017, 5 (7), pp 6237–6246
DOI: 10.1021/acssuschemeng.7b01197
***
ACS Synthetic Biology
A Straightforward Approach for 3D Bacterial Printing
Open access through ACS AuthorChoice
ACS Synth. Biol., 2017, 6 (7), pp 1124–1130
DOI: 10.1021/acssynbio.6b00395
Programmable DNA-Guided Artificial Restriction Enzymes
ACS Synth. Biol., 2017, 6 (5), pp 752–757
DOI: 10.1021/acssynbio.6b00324
Application of an Acyl-CoA Ligase from Streptomyces aizunensis for Lactam Biosynthesis
Open access through Editors’ Choice
ACS Synth. Biol., 2017, 6 (5), pp 884–890
DOI: 10.1021/acssynbio.6b00372
Extracellular Self-Assembly of Functional and Tunable Protein Conjugates from Bacillus subtilis
Open access through ACS AuthorChoiceS
ACS Synth. Biol., 2017, 6 (6), pp 957–967
DOI: 10.1021/acssynbio.6b00292
Meeting Report for Synthetic Biology for Natural Products 2017: The Interface of (Meta)Genomics, Machine Learning, and Natural Product Discovery
ACS Synth. Biol., 2017, 6 (5), pp 737–743
DOI: 10.1021/acssynbio.7b00132
***
Analytical Chemistry
Separation of Isotopologues in Ultra-High-Resolution Ion Mobility Spectrometry
Open access through Editors’ Choice
Anal. Chem., 2017, 89 (3), pp 1509–1515
DOI: 10.1021/acs.analchem.6b03300
Paper-Based Microfluidic Devices: Emerging Themes and Applications
Anal. Chem., 2017, 89 (1), pp 71–91
DOI: 10.1021/acs.analchem.6b04581
Nucleic Acid Biosensors: Recent Advances and Perspectives
Anal. Chem., 2017, 89 (1), pp 189–215
DOI: 10.1021/acs.analchem.6b04190
Recent Advances in the Analysis of Single Cells
Anal. Chem., 2017, 89 (1), pp 2–21
DOI: 10.1021/acs.analchem.6b04255
Comparing Microfluidic Performance of Three-Dimensional (3D) Printing Platforms
Open access through ACS AuthorChoice
Anal. Chem., 2017, 89 (7), pp 3858–3866
DOI: 10.1021/acs.analchem.7b00136
***
Chemical Research in Toxicology
Modeling Exposure in the Tox21 in Vitro Bioassays
Open access through Editors’ Choice
Chem. Res. Toxicol., 2017, 30 (5), pp 1197–1208
DOI: 10.1021/acs.chemrestox.7b00023
DNA Adduct Profiles Predict in Vitro Cell Viability after Treatment with the Experimental Anticancer Prodrug PR104A
Open access through Editors’ Choice
Chem. Res. Toxicol., 2017, 30 (3), pp 830–839
DOI: 10.1021/acs.chemrestox.6b00412
Systems Toxicology: Real World Applications and Opportunities
Open access through ACS AuthorChoice
Chem. Res. Toxicol., 2017, 30 (4), pp 870–882
DOI: 10.1021/acs.chemrestox.7b00003
Effect of Subcellular Translocation of Protein Disulfide Isomerase on Tetrachlorobenzoquinone-Induced Signaling Shift from Endoplasmic Reticulum Stress to Apoptosis
Open access through Editors’ Choice
Chem. Res. Toxicol., 2017, 30 (10), pp 1804–1814
DOI: 10.1021/acs.chemrestox.7b00118
Nucleotide Excision Repair Lesion-Recognition Protein Rad4 Captures a Pre-Flipped Partner Base in a Benzo[a]pyrene-Derived DNA Lesion: How Structure Impacts the Binding Pathway
Open access through Editors’ Choice
Chem. Res. Toxicol., 2017, 30 (6), pp 1344–1354
DOI: 10.1021/acs.chemrestox.7b00074
***
Crystal Growth & Design
Integral Membrane Proteins Can Be Crystallized Directly from Nanodiscs
Open access through Editors’ Choice
Cryst. Growth Des., 2017, 17 (3), pp 945–948
DOI: 10.1021/acs.cgd.6b01631
Engineering Molecular Crystals: Backbreaking, yet Gratifying
Open access through ACS AuthorChoice
Cryst. Growth Des., 2017, 17 (6), pp 2913–2918
DOI: 10.1021/acs.cgd.7b00210
Phase Control of Eu3+-Doped YPO4 Nano-/Microcrystals
Cryst. Growth Des., 2017, 17 (11), pp 5935–5944
DOI: 10.1021/acs.cgd.7b01038
A Review of the Structures of Vaterite: The Impossible, the Possible, and the Likely
Open access through Editors’ Choice
Cryst. Growth Des., 2017, 17 (6), pp 3567–3578
DOI: 10.1021/acs.cgd.7b00481
Synthesis and Characterization of New Ce(IV)-MOFs Exhibiting Various Framework Topologies
Cryst. Growth Des., 2017, 17 (3), pp 1125–1131
DOI: 10.1021/acs.cgd.6b01512
***
Energy & Fuels
Simulation of Asphaltene Aggregation through Molecular Dynamics: Insights and Limitations
Energy Fuels, 2017, 31 (2), pp 1108–1125
DOI: 10.1021/acs.energyfuels.6b02161
Historical Developments of Pyrolysis Reactors: A Review
Energy Fuels, 2017, 31 (6), pp 5751–5775
DOI: 10.1021/acs.energyfuels.7b00641
Model-Based Formulation of Biofuel Blends by Simultaneous Product and Pathway Design
Open access through Editors’ Choice
Energy Fuels, 2017, 31 (4), pp 4096–4121
DOI: 10.1021/acs.energyfuels.7b00118
Biomass-Derived Activated Porous Carbon from Rice Straw for a High-Energy Symmetric Supercapacitor in Aqueous and Non-aqueous Electrolytes
Energy Fuels, 2017, 31 (1), pp 977–985
DOI: 10.1021/acs.energyfuels.6b01829
Understanding Shale Gas: Recent Progress and Remaining Challenges
Energy Fuels, 2017, 31 (10), pp 10300–10310
DOI: 10.1021/acs.energyfuels.7b01023
***
Environmental Science & Technology
High-Resolution Air Pollution Mapping with Google Street View Cars: Exploiting Big Data
Open access through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (12), pp 6999–7008
DOI: 10.1021/acs.est.7b00891
Flint Water Crisis Caused By Interrupted Corrosion Control: Investigating “Ground Zero” Home
Open access through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (4), pp 2007–2014
DOI: 10.1021/acs.est.6b04034
To Extract, or not to Extract Uranium from Phosphate Rock, that is the Question
Environ. Sci. Technol., 2017, 51 (2), pp 753–754
DOI: 10.1021/acs.est.6b05506
A Never-Ending Story of Per- and Polyfluoroalkyl Substances (PFASs)?
Environ. Sci. Technol., 2017, 51 (5), pp 2508–2518
DOI: 10.1021/acs.est.6b04806
Burden of Disease from Rising Coal-Fired Power Plant Emissions in Southeast Asia
Open access through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (3), pp 1467–1476
DOI: 10.1021/acs.est.6b03731
***
Environmental Science & Technology Letters
Sweetened Swimming Pools and Hot Tubs
Open access through Editors’ Choice
Environ. Sci. Technol. Lett., 2017, 4 (4), pp 149–153
DOI: 10.1021/acs.estlett.7b00043
Fluorinated Compounds in U.S. Fast Food Packaging
Environ. Sci. Technol. Lett., 2017, 4 (3), pp 105–111
DOI: 10.1021/acs.estlett.6b00435
Large Reductions in Solar Energy Production Due to Dust and Particulate Air Pollution
Open access through Editors’ Choice
Environ. Sci. Technol. Lett., 2017, 4 (8), pp 339–344
DOI: 10.1021/acs.estlett.7b00197
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
Occurrence of Neonicotinoid Insecticides in Finished Drinking Water and Fate during Drinking Water Treatment
Open access through Editors’ Choice
Environ. Sci. Technol. Lett., 2017, 4 (5), pp 168–173
DOI: 10.1021/acs.estlett.7b00081
***
Industrial & Engineering Chemistry Research
Bioinspired Smart Materials for Directional Liquid Transport
Open access through Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (17), pp 4887–4897
DOI: 10.1021/acs.iecr.7b0058
Why Wasn’t My Manuscript Sent Out for Review?
Ind. Eng. Chem. Res., 2017, 56 (25), pp 7109–7111
DOI: 10.1021/acs.iecr.7b023173
Protease-Sensitive Nanomaterials for Cancer Therapeutics and Imaging
Open access through Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (20), pp 5761–5777
DOI: 10.1021/acs.iecr.7b00990
Golden Carbon Nanotube Membrane for Continuous Flow Catalysis
Open access through Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (11), pp 2999–3007
DOI: 10.1021/acs.iecr.7b00357
Biomimetic Superhydrophobic Engineering Metal Surface with Hierarchical Structure and Tunable Adhesion: Design of Microscale Pattern
Open access through Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (4), pp 907–919
DOI: 10.1021/acs.iecr.6b03936
***
Journal of Agricultural and Food Chemistry
Control of Maillard Reactions in Foods: Strategies and Chemical Mechanisms
Open access through ACS AuthorChoice
J. Agric. Food Chem., 2017, 65 (23), pp 4537–4552
DOI: 10.1021/acs.jafc.7b00882
Rare Sugar Syrup Containing d-Allulose but Not High-Fructose Corn Syrup Maintains Glucose Tolerance and Insulin Sensitivity Partly via Hepatic Glucokinase Translocation in Wistar Rats
Open access through Editors’ Choice
J. Agric. Food Chem., 2017, 65 (13), pp 2888–2894
DOI: 10.1021/acs.jafc.6b05627
Development of a QuEChERS-Based Method for the Simultaneous Determination of Acidic Pesticides, Their Esters, and Conjugates Following Alkaline Hydrolysis
Open access through Editors’ Choice
J. Agric. Food Chem., 2017, 65 (6), pp 1296–1305
DOI: 10.1021/acs.jafc.6b05407
Novel trans-Ferulic Acid Derivatives Containing a Chalcone Moiety as Potential Activator for Plant Resistance Induction
Open access through Editors’ Choice
J. Agric. Food Chem., 2017, 65 (22), pp 4367–4377
DOI: 10.1021/acs.jafc.7b00958
An Endocannabinoid Uptake Inhibitor from Black Pepper Exerts Pronounced Anti-Inflammatory Effects in Mice
Open access through Editors’ Choice
J. Agric. Food Chem., 2017, 65 (43), pp 9435–9442
DOI: 10.1021/acs.jafc.7b02979
***
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
Thermodynamic Modeling of Aqueous Electrolyte Systems: Current Status
This article is part of the Memorial Issue in Honor of Ken Marsh special issue.
J. Chem. Eng. Data, 2017, 62 (9), pp 2481–2495
DOI: 10.1021/acs.jced.6b01055
Measurement and Correlation of Solubility of Theobromine, Theophylline, and Caffeine in Water and Organic Solvents at Various Temperatures
J. Chem. Eng. Data, 2017, 62 (9), pp 2570–2577
DOI: 10.1021/acs.jced.7b00065
Approaches for Calculating Solvation Free Energies and Enthalpies Demonstrated with an Update of the FreeSolv Database
J. Chem. Eng. Data, 2017, 62 (5), pp 1559–1569
DOI: 10.1021/acs.jced.7b00104
***
Journal of Chemical Information and Modeling
Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations
Open access through Editors’ Choice
J. Chem. Inf. Model., 2017, 57 (12), pp 2911–2937
DOI: 10.1021/acs.jcim.7b00564
Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories
Open access through Editors’ Choice
J. Chem. Inf. Model., 2017, 57 (6), pp 1286–1299
DOI: 10.1021/acs.jcim.7b00048
Protein–Ligand Scoring with Convolutional Neural Networks
J. Chem. Inf. Model., 2017, 57 (4), pp 942–957
DOI: 10.1021/acs.jcim.6b00740
Is Multitask Deep Learning Practical for Pharma?
J. Chem. Inf. Model., 2017, 57 (8), pp 2068–2076
DOI: 10.1021/acs.jcim.7b00146
***
Journal of Chemical Theory and Computation
An Ab Initio Exciton Model Including Charge-Transfer Excited States
Open access through Editors’ Choice
J. Chem. Theory Comput., 2017, 13 (8), pp 3493–3504
DOI: 10.1021/acs.jctc.7b00171
A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1–86)
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (5), pp 1989–2009
DOI: 10.1021/acs.jctc.7b00118
Machine Learning Force Field Parameters from Ab Initio Data
J. Chem. Theory Comput., 2017, 13 (9), pp 4492–4503
DOI: 10.1021/acs.jctc.7b00521
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
J. Chem. Theory Comput., 2017, 13 (7), pp 3185–3197
DOI: 10.1021/acs.jctc.7b00174
Cheap and Near Exact CASSCF with Large Active Spaces
Open access through Editors’ Choice
J. Chem. Theory Comput., 2017, 13 (11), pp 5468–5478
DOI: 10.1021/acs.jctc.7b00900
***
Journal of Medicinal Chemistry
The Essential Medicinal Chemistry of Curcumin
Open access through Editors’ Choice
J. Med. Chem., 2017, 60 (5), pp 1620–1637
DOI: 10.1021/acs.jmedchem.6b00975
Synthetic Approaches to the New Drugs Approved During 2015
Open access through Editors’ Choice
J. Med. Chem., 2017, 60 (15), pp 6480–6515
DOI: 10.1021/acs.jmedchem.7b00010
Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases
J. Med. Chem., 2017, 60 (4), pp 1247–1261
DOI: 10.1021/acs.jmedchem.6b01751
A Versatile Method to Determine the Cellular Bioavailability of Small-Molecule Inhibitors
Open access through Editors’ Choice
J. Med. Chem., 2017, 60 (1), pp 157–169
DOI: 10.1021/acs.jmedchem.6b00923
How Big Is Too Big for Cell Permeability?
J. Med. Chem., 2017, 60 (5), pp 1662–1664
DOI: 10.1021/acs.jmedchem.7b00237
***
The Journal of Physical Chemistry A
Can Orbitals Really Be Observed in Scanning Tunneling Microscopy Experiments?
J. Phys. Chem. A, 2017, 121 (26), pp 4851–4852
DOI: 10.1021/acs.jpca.7b05789
How Large is the Elephant in the Density Functional Theory Room?
Open access through Editors’ Choice
J. Phys. Chem. A, 2017, 121 (32), pp 6104–6107
DOI: 10.1021/acs.jpca.7b04760
Reactivity of Ketyl and Acetyl Radicals from Direct Solar Actinic Photolysis of Aqueous Pyruvic Acid
Open access through ACS AuthorChoice
J. Phys. Chem. A, 2017, 121 (15), pp 2924–2935
DOI: 10.1021/acs.jpca.6b11916
Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy
Open access through Editors’ Choice
J. Phys. Chem. A, 2017, 121 (7), pp 1389–1401
DOI: 10.1021/acs.jpca.6b09784
What Does “Important New Physical Insights” Mean? Tips for Writing Better Papers
J. Phys. Chem. A, 2017, 121 (19), pp 3627–3628
DOI: 10.1021/acs.jpca.7b04302
***
The Journal of Physical Chemistry B
The Hydrophobic Effect and the Role of Cosolvents
Open access through Editors’ Choice
J. Phys. Chem. B, 2017, 121 (43), pp 9986–9998
DOI: 10.1021/acs.jpcb.7b06453
Crowding in Cellular Environments at an Atomistic Level from Computer Simulations
Open access through Editors’ Choice
J. Phys. Chem. B, 2017, 121 (34), pp 8009–8025
DOI: 10.1021/acs.jpcb.7b03570
Beyond the Hofmeister Series: Ion-Specific Effects on Proteins and Their Biological Functions
J. Phys. Chem. B, 2017, 121 (9), pp 1997–2014
DOI: 10.1021/acs.jpcb.6b10797
Evolutionary Covariance Combined with Molecular Dynamics Predicts a Framework for Allostery in the MutS DNA Mismatch Repair Protein
Open access through Editors’ Choice
J. Phys. Chem. B, 2017, 121 (9), pp 2049–2061
DOI: 10.1021/acs.jpcb.6b11976
Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists
J. Phys. Chem. B, 2017, 121 (43), pp 9983–9985
DOI: 10.1021/acs.jpcb.7b09653
***
The Journal of Physical Chemistry C
Machine Learning Force Fields: Construction, Validation, and Outlook
Open access through Editors’ Choice
J. Phys. Chem. C, 2017, 121 (1), pp 511–522
DOI: 10.1021/acs.jpcc.6b10908
Atomistic Understanding of Zeolite Nanosheets for Water Desalination
Open access through Editors’ Choice
J. Phys. Chem. C, 2017, 121 (21), pp 11273–11280
DOI: 10.1021/acs.jpcc.7b00214
Doped Amorphous Ti Oxides To Deoptimize Oxygen Reduction Reaction Catalysis
Open access through Editors’ Choice
J. Phys. Chem. C, 2017, 121 (31), pp 16825–16830
DOI: 10.1021/acs.jpcc.7b04210
What Does “Important New Physical Insights” Mean? Tips for Writing Better Papers
J. Phys. Chem. C, 2017, 121 (19), pp 10265–10266
DOI: 10.1021/acs.jpcc.7b04300
Molecular Fluorescence in Citric Acid-Based Carbon Dots
J. Phys. Chem. C, 2017, 121 (3), pp 2014–2022
DOI: 10.1021/acs.jpcc.6b12519
***
The Journal of Physical Chemistry Letters
Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap
J. Phys. Chem. Lett., 2017, 8 (4), pp 772–778
DOI: 10.1021/acs.jpclett.6b02682
Charge Carrier Trapping at Surface Defects of Perovskite Solar Cell Absorbers: A First-Principles Study
Open access through Editors’ Choice
J. Phys. Chem. Lett., 2017, 8 (4), pp 742–746
DOI: 10.1021/acs.jpclett.7b00055
Photoresponse of CsPbBr3 and Cs4PbBr6 Perovskite Single Crystals
J. Phys. Chem. Lett., 2017, 8 (3), pp 565–570
DOI: 10.1021/acs.jpclett.6b02763
High-Quality (CH3NH3)3Bi2I9 Film-Based Solar Cells: Pushing Efficiency up to 1.64%
Open access through Editors’ Choice
J. Phys. Chem. Lett., 2017, 8 (17), pp 4300–4307
DOI: 10.1021/acs.jpclett.7b01952
Hydrogen-Mediated Electron Doping of Gold Clusters As Revealed by In Situ X-ray and UV–vis Absorption Spectroscopy
Open access through Editors’ Choice
J. Phys. Chem. Lett., 2017, 8 (11), pp 2368–2372
DOI: 10.1021/acs.jpclett.7b00722
***
Journal of Proteome Research
Discovery of Novel Antimicrobial Peptides from Varanus komodoensis (Komodo Dragon) by Large-Scale Analyses and De-Novo-Assisted Sequencing Using Electron-Transfer Dissociation Mass Spectrometry
J. Proteome Res., 2017, 16 (4), pp 1470–1482
DOI: 10.1021/acs.jproteome.6b00857
MHC-I Ligand Discovery Using Targeted Database Searches of Mass Spectrometry Data: Implications for T-Cell Immunotherapies
Open access through Editors’ Choice
J. Proteome Res., 2017, 16 (4), pp 1806–1816
DOI: 10.1021/acs.jproteome.6b00971
Global Post-Translational Modification Discovery
Open access through ACS AuthorChoice
J. Proteome Res., 2017, 16 (4), pp 1383–1390
DOI: 10.1021/acs.jproteome.6b00034
Assessment of Label-Free Quantification in Discovery Proteomics and Impact of Technological Factors and Natural Variability of Protein Abundance
Open access through ACS AuthorChoice
J. Proteome Res., 2017, 16 (4), pp 1410–1424
DOI: 10.1021/acs.jproteome.6b00645
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
***
Molecular Pharmaceutics
Lipid–Drug Conjugate for Enhancing Drug Delivery
This article is part of the Bioconjugate Therapeutics special issue.
Mol. Pharmaceutics, 2017, 14 (5), pp 1325–1338
DOI: 10.1021/acs.molpharmaceut.6b01027
Tracking Antibody Distribution with Near-Infrared Fluorescent Dyes: Impact of Dye Structure and Degree of Labeling on Plasma Clearance
Open access through Editors’ Choice
Mol. Pharmaceutics, 2017, 14 (5), pp 1623–1633
DOI: 10.1021/acs.molpharmaceut.6b01091
Encapsulation of Ibuprofen in CD-MOF and Related Bioavailability Studies
Mol. Pharmaceutics, 2017, 14 (5), pp 1831–1839
DOI: 10.1021/acs.molpharmaceut.7b00168
Clinically Relevant Multidrug Transporters Are Regulated by microRNAs along the Human Intestine
Open access through Editors’ Choice
Mol. Pharmaceutics, 2017, 14 (7), pp 2245–2253
DOI: 10.1021/acs.molpharmaceut.7b00076
Biocompatible Injectable Hydrogel with Potent Wound Healing and Antibacterial Properties
Mol. Pharmaceutics, 2017, 14 (4), pp 1218–1230
DOI: 10.1021/acs.molpharmaceut.6b01104
***
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
General Principles and Strategies for Salting-Out Informed by the Hofmeister Series
Open access through ACS AuthorChoice
Org. Process Res. Dev., 2017, 21 (9), pp 1355–1370
DOI: 10.1021/acs.oprd.7b00197
One-Step Continuous Flow Synthesis of Antifungal WHO Essential Medicine Flucytosine Using Fluorine
Open access through Editors’ Choice
Org. Process Res. Dev., 2017, 21 (2), pp 273–276
DOI: 10.1021/acs.oprd.6b00420
Some Items of Interest to Process R&D Chemists and Engineers
Org. Process Res. Dev., 2017, 21 (6), pp 789–799
DOI: 10.1021/acs.oprd.7b00193
Simple and Versatile Laboratory Scale CSTR for Multiphasic Continuous-Flow Chemistry and Long Residence Times
Open access through Editors’ Choice
Org. Process Res. Dev., 2017, 21 (9), pp 1294–1301
DOI: 10.1021/acs.oprd.7b00173
