Here, we discover the most-read applied chemistry articles across ACS journals in June 2017, including research, reviews, perspectives, and editorial pieces.
What were chemists reading in June of 2017? To find out, we’ve compiled lists of the five most-read chemistry articles that appeared in each analytical chemistry ACS Publications journal in June 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 June 2017 Chemistry Research:
Analytical Chemistry | Biological Chemistry | Materials Science & Engineering | Multidisciplinary Chemistry | Organic/Inorganic Chemistry | Physical Chemistry
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ACS Applied Materials & Interfaces
Forum: Focus on India
ACS Appl. Mater. Interfaces, 2017, 9 (23), pp 19355–19355
DOI: 10.1021/acsami.7b07425
Iron-Induced Activation of Ordered Mesoporous Nickel Cobalt Oxide Electrocatalyst for the Oxygen Evolution Reaction
ACS Appl. Mater. Interfaces, 2017, 9 (25), pp 21225–21233
DOI: 10.1021/acsami.7b02571
Iron Containing Metal–Organic Frameworks: Structure, Synthesis, and Applications in Environmental Remediation
ACS Appl. Mater. Interfaces, 2017, 9 (24), pp 20255–20275
DOI: 10.1021/acsami.7b02563
Facile Method to Reduce Surface Defects and Trap Densities in Perovskite Photovoltaics
ACS Appl. Mater. Interfaces, 2017, 9 (25), pp 21292–21297
DOI: 10.1021/acsami.7b05133
Origin of Open-Circuit Voltage Loss in Polymer Solar Cells and Perovskite Solar Cells
ACS Appl. Mater. Interfaces, 2017, 9 (23), pp 19988–19997
DOI: 10.1021/acsami.7b03694
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ACS Biomaterials Science & Engineering
Surface Analysis of Nanocomplexes by X-ray Photoelectron Spectroscopy (XPS)
Open access through ACS Editors’ Choice
ACS Biomater. Sci. Eng., 2017, 3 (6), pp 882–889
DOI: 10.1021/acsbiomaterials.7b00040
3D-Printed High Strength Bioactive Supramolecular Polymer/Clay Nanocomposite Hydrogel Scaffold for Bone Regeneration
ACS Biomater. Sci. Eng., 2017, 3 (6), pp 1109–1118
DOI: 10.1021/acsbiomaterials.7b00224
Protein Corona around Gold Nanorods as a Drug Carrier for Multimodal Cancer Therapy
ACS Biomater. Sci. Eng., 2017, 3 (6), pp 1039–1050
DOI: 10.1021/acsbiomaterials.7b00231
Intestine-on-a-Chip Microfluidic Model for Efficient in Vitro Screening of Oral Chemotherapeutic Uptake
ACS Biomater. Sci. Eng., 2017, 3 (6), pp 951–959
DOI: 10.1021/acsbiomaterials.7b00023
Inkjet Printing-Based Patchable Multilayered Biomolecule-Containing Nanofilms for Biomedical Applications
ACS Biomater. Sci. Eng., 2017, 3 (6), pp 870–874
DOI: 10.1021/acsbiomaterials.7b00138
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ACS Combinatorial Science
Diversity-Oriented Synthesis of Libraries Based on Benzofuran and 2,3-Dihydrobenzofuran Scaffolds
Open access through ACS AuthorChoice
ACS Comb. Sci., 2017, 19 (6), pp 370–376
DOI: 10.1021/acscombsci.7b00014
Interplay Of Stereochemistry, Conformational Rigidity, And Ease Of Synthesis For 13-Membered Cyclic Peptidomimetics Containing APC Residues
ACS Comb. Sci., 2017, 19 (6), pp 414–421
DOI: 10.1021/acscombsci.7b00041
Diastereoselective Synthesis of Symmetrical and Unsymmetrical Tetrahydropyridines Catalyzed by Bi(III) Immobilized on Triazine Dendrimer Stabilized Magnetic Nanoparticles
ACS Comb. Sci., 2017, 19 (6), pp 356–364
DOI: 10.1021/acscombsci.6b00180
Synthesis of 3,5-Disubstituted Isoxazoles Containing Privileged Substructures with a Diverse Display of Polar Surface Area
ACS Comb. Sci., 2017, 19 (6), pp 407–413
DOI: 10.1021/acscombsci.7b00032
Assembly of Macrocycle Dye Derivatives into Particles for Fluorescence and Photoacoustic Applications
ACS Comb. Sci., 2017, 19 (6), pp 397–406
DOI: 10.1021/acscombsci.7b00031
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ACS Energy Letters
Effects of Ion Distributions on Charge Collection in Perovskite Solar Cells
ACS Energy Lett., 2017, 2 (6), pp 1450–1453
DOI: 10.1021/acsenergylett.7b00424
Redox Flow Batteries
ACS Energy Lett., 2017, 2 (6), pp 1368–1369
DOI: 10.1021/acsenergylett.7b00361
Defect-Assisted Photoinduced Halide Segregation in Mixed-Halide Perovskite Thin Films
Open access through ACS Editors’ Choice
ACS Energy Lett., 2017, 2 (6), pp 1416–1424
DOI: 10.1021/acsenergylett.7b00282
Current Trends in Semiconductor Photoelectrochemistry
ACS Energy Lett., 2017, 2 (6), pp 1425–1428
DOI: 10.1021/acsenergylett.7b00413
Fluoroethylene Carbonate as an Important Component for the Formation of an Effective Solid Electrolyte Interphase on Anodes and Cathodes for Advanced Li-Ion Batteries
Open access through ACS Editors’ Choice
ACS Energy Lett., 2017, 2 (6), pp 1337–1345
DOI: 10.1021/acsenergylett.7b00163
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ACS Infectious Diseases
Discovery of a Novel Nitric Oxide Binding Protein and Nitric-Oxide-Responsive Signaling Pathway in Pseudomonas aeruginosa
Open access through ACS Editors’ Choice
ACS Infect. Dis., 2017, 3 (6), pp 454–461
DOI: 10.1021/acsinfecdis.7b00027
A Phenotypic Based Target Screening Approach Delivers New Antitubercular CTP Synthetase Inhibitors
ACS Infect. Dis., 2017, 3 (6), pp 428–437
DOI: 10.1021/acsinfecdis.7b00006
Truncated Autoinducing Peptide Conjugates Selectively Recognize and Kill Staphylococcus aureus
ACS Infect. Dis., 2017, 3 (6), pp 406–410
DOI: 10.1021/acsinfecdis.7b00013
Diamide Inhibitors of the Bacillus subtilis N-Acetylglucosaminidase LytG That Exhibit Antibacterial Activity
ACS Infect. Dis., 2017, 3 (6), pp 421–427
DOI: 10.1021/acsinfecdis.7b00005
Cell Cycle-Dependent Kinase Cdk9 Is a Postexposure Drug Target against Human Adenoviruses
ACS Infect. Dis., 2017, 3 (6), pp 398–405
DOI: 10.1021/acsinfecdis.7b00009
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ACS Medicinal Chemistry Letters
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
Where Are Drugs Invented, and Why Does It Matter?
ACS Med. Chem. Lett., 2017, 8 (6), pp 589–591
DOI: 10.1021/acsmedchemlett.7b00185
Discovery of Potent and Selective Tricyclic Inhibitors of Bruton’s Tyrosine Kinase with Improved Druglike Properties
Open access through ACS Editors’ Choice
ACS Med. Chem. Lett., 2017, 8 (6), pp 608–613
DOI: 10.1021/acsmedchemlett.7b00103
Janus-Associated Kinase 1 (JAK1) Inhibitors as Potential Treatment for Immune Disorders
ACS Med. Chem. Lett., 2017, 8 (6), pp 598–600
DOI: 10.1021/acsmedchemlett.7b00209
Inhibitors of DNA Gyrase-GyrB Subunit and/or Topoisomerase IV-ParE Subunit May Treat Infectious Diseases Caused by Antibiotic-Resistant Bacteria
ACS Med. Chem. Lett., 2017, 8 (6), pp 592–594
DOI: 10.1021/acsmedchemlett.7b00207
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ACS Sensors
Fast Surface Acoustic Wave-Based Sensors to Investigate the Kinetics of Gas Uptake in Ultra-Microporous Frameworks
Open access through ACS Editors’ Choice
ACS Sens., 2017, 2 (6), pp 740–747
DOI: 10.1021/acssensors.7b00014
Versatile Barometer Biosensor Based on Au@Pt Core/Shell Nanoparticle Probe
ACS Sens., 2017, 2 (6), pp 789–795
DOI: 10.1021/acssensors.7b00156
Fast-Response and Flexible Nanocrystal-Based Humidity Sensor for Monitoring Human Respiration and Water Evaporation on Skin
ACS Sens., 2017, 2 (6), pp 828–833
DOI: 10.1021/acssensors.7b00199
Bright Bioluminescent BRET Sensor Proteins for Measuring Intracellular Caspase Activity
Open access through ACS AuthorChoice
ACS Sens., 2017, 2 (6), pp 729–734
DOI: 10.1021/acssensors.7b00239
Valence States Modulation Strategy for Picomole Level Assay of Hg2+ in Drinking and Environmental Water by Directional Self-Assembly of Gold Nanorods
ACS Sens., 2017, 2 (6), pp 781–788
DOI: 10.1021/acssensors.7b00149
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ACS Sustainable Chemistry & Engineering
One-Pot Water-Based Hydrophobic Surface Modification of Cellulose Nanocrystals Using Plant Polyphenols
ACS Sustainable Chem. Eng., 2017, 5 (6), pp 5018–5026
DOI: 10.1021/acssuschemeng.7b00415
Water Hyacinth: A Unique Source for Sustainable Materials and Products
ACS Sustainable Chem. Eng., 2017, 5 (6), pp 4478–4490
DOI: 10.1021/acssuschemeng.7b00051
Construction and Performance Characterization of α-Fe2O3/rGO Composite for Long-Cycling-Life Supercapacitor Anode
ACS Sustainable Chem. Eng., 2017, 5 (6), pp 5067–5074
DOI: 10.1021/acssuschemeng.7b00445
α-MnO2/h-MoO3 Hybrid Material for High Performance Supercapacitor Electrode and Photocatalyst
ACS Sustainable Chem. Eng., 2017, 5 (6), pp 4757–4770
DOI: 10.1021/acssuschemeng.7b00143
Conversion of Furfural to 1,5-Pentanediol: Process Synthesis and Analysis
ACS Sustainable Chem. Eng., 2017, 5 (6), pp 4699–4706
DOI: 10.1021/acssuschemeng.7b00059
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ACS Synthetic Biology
Extracellular Self-Assembly of Functional and Tunable Protein Conjugates from Bacillus subtilis
Open access through ACS AuthorChoice
ACS Synth. Biol., 2017, 6 (6), pp 957–967
DOI: 10.1021/acssynbio.6b00292
Quantitative Analysis of Synthetic Cell Lineage Tracing Using Nuclease Barcoding
ACS Synth. Biol., 2017, 6 (6), pp 936–942
DOI: 10.1021/acssynbio.6b00309
Inducible Control of mRNA Transport Using Reprogrammable RNA-Binding Proteins
Open access through ACS AuthorChoice
ACS Synth. Biol., 2017, 6 (6), pp 950–956
DOI: 10.1021/acssynbio.7b00025
Introducing Our Authors
ACS Synth. Biol., 2017, 6 (6), pp 915–920
DOI: 10.1021/acssynbio.7b00181
The Impact of DNA Topology and Guide Length on Target Selection by a Cytosine-Specific Cas9
ACS Synth. Biol., 2017, 6 (6), pp 1103–1113
DOI: 10.1021/acssynbio.7b00050
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Analytical Chemistry
Metrics to Evaluate Journals, Scientists, and Science: We Are Not There Yet
Anal. Chem., 2017, 89 (11), pp 5653–5653
DOI: 10.1021/acs.analchem.7b01872
A DNA Tetrahedron Nanoprobe with Controlled Distance of Dyes for Multiple Detection in Living Cells and in Vivo
Anal. Chem., 2017, 89 (12), pp 6670–6677
DOI: 10.1021/acs.analchem.7b00889
Facile and Sensitive Near-Infrared Fluorescence Probe for the Detection of Endogenous Alkaline Phosphatase Activity In Vivo
Anal. Chem., 2017, 89 (12), pp 6854–6860
DOI: 10.1021/acs.analchem.7b01351
Toward a Droplet-Based Single-Cell Radiometric Assay
Open access through ACS AuthorChoice
Anal. Chem., 2017, 89 (12), pp 6472–6481
DOI: 10.1021/acs.analchem.7b00414
Analysis of Three Epoetin Alpha Products by LC and LC-MS Indicates Differences in Glycosylation Critical Quality Attributes, Including Sialic Acid Content
Open access through ACS Editors’ Choice
Anal. Chem., 2017, 89 (12), pp 6455–6462
DOI: 10.1021/acs.analchem.7b00353
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Chemical Research in Toxicology
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 ACS Editors’ Choice
Chem. Res. Toxicol., 2017, 30 (6), pp 1344–1354
DOI: 10.1021/acs.chemrestox.7b00074
Supernatant from Hepatocyte Cultures with Drugs That Cause Idiosyncratic Liver Injury Activates Macrophage Inflammasomes
Chem. Res. Toxicol., 2017, 30 (6), pp 1327–1332
DOI: 10.1021/acs.chemrestox.7b00065
Evaluation of Different Methods for Identification of Structural Alerts Using Chemical Ames Mutagenicity Data Set as a Benchmark
Open access through ACS AuthorChoice
Chem. Res. Toxicol., 2017, 30 (6), pp 1355–1364
DOI: 10.1021/acs.chemrestox.7b00083
Nanotoxicity in Systemic Circulation and Wound Healing
Chem. Res. Toxicol., 2017, 30 (6), pp 1253–1274
DOI: 10.1021/acs.chemrestox.7b00068
Spotlight
Chem. Res. Toxicol., 2017, 30 (6), pp 1251–1252
DOI: 10.1021/acs.chemrestox.7b00140
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Crystal Growth & Design
Engineering Molecular Crystals: Backbreaking, yet Gratifying
Cryst. Growth Des., 2017, 17 (6), pp 2913–2918
DOI: 10.1021/acs.cgd.7b00210
A Review of the Structures of Vaterite: The Impossible, the Possible, and the Likely
Open access through ACS Editors’ Choice
Cryst. Growth Des., 2017, 17 (6), pp 3567–3578
DOI: 10.1021/acs.cgd.7b00481
Highly Fluorescent Metal–Organic Frameworks Based on a Benzene-Cored Tetraphenylethene Derivative with the Ability To Detect 2,4,6-Trinitrophenol in Water
Cryst. Growth Des., 2017, 17 (6), pp 3170–3177
DOI: 10.1021/acs.cgd.7b00131
Significance of Crystal Morphology Controlling in Semiconductor-Based Photocatalysis: A Case Study on BiVO4 Photocatalyst
Cryst. Growth Des., 2017, 17 (6), pp 2923–2928
DOI: 10.1021/acs.cgd.7b00291
Crystal Growth of Salicylic Acid in Organic Solvents
Cryst. Growth Des., 2017, 17 (6), pp 2964–2974
DOI: 10.1021/acs.cgd.6b01415
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Energy & Fuels
Fractionation of Interfacial Material Reveals a Continuum of Acidic Species That Contribute to Stable Emulsion Formation
Open access through ACS Editors’ Choice
Energy Fuels, 2017, 31 (6), pp 5933–5939
DOI: 10.1021/acs.energyfuels.7b00490
Historical Developments of Pyrolysis Reactors: A Review
Energy Fuels, 2017, 31 (6), pp 5751–5775
DOI: 10.1021/acs.energyfuels.7b00641
Hydroprocessing Catalysts Containing Noble Metals: Deactivation, Regeneration, Metals Reclamation, and Environment and Safety
Energy Fuels, 2017, 31 (6), pp 5711–5750
DOI: 10.1021/acs.energyfuels.7b00471
Nitrogen-Coordinated Iron−Carbon as Efficient Bifunctional Electrocatalysts for the Oxygen Reduction and Oxygen Evolution Reactions in Acidic Media
Energy Fuels, 2017, 31 (6), pp 6541–6547
DOI: 10.1021/acs.energyfuels.7b00242
Electrogenic and Antimethanogenic Properties of Bacillus cereus for Enhanced Power Generation in Anaerobic Sludge-Driven Microbial Fuel Cells
Energy Fuels, 2017, 31 (6), pp 6132–6139
DOI: 10.1021/acs.energyfuels.7b00434
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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
Our Stainfree Future? A Virtual Issue on Poly- and Perfluoroalkyl Substances
Environ. Sci. Technol., 2017, 51 (11), pp 5859–5860
DOI: 10.1021/acs.est.7b02575
Addressing the Issue of Microplastics in the Wake of the Microbead-Free Waters Act—A New Standard Can Facilitate Improved Policy
Environ. Sci. Technol., 2017, 51 (12), pp 6611–6617
DOI: 10.1021/acs.est.6b05812
Sorption of Poly- and Perfluoroalkyl Substances (PFASs) Relevant to Aqueous Film-Forming Foam (AFFF)-Impacted Groundwater by Biochars and Activated Carbon
Open access through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (11), pp 6342–6351
DOI: 10.1021/acs.est.7b00970
Plastic and Human Health: A Micro Issue?
Environ. Sci. Technol., 2017, 51 (12), pp 6634–6647
DOI: 10.1021/acs.est.7b00423
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Environmental Science & Technology Letters
The Global Challenge of Sustainable Seawater Desalination
Environ. Sci. Technol. Lett., 2017, 4 (6), pp 197–197
DOI: 10.1021/acs.estlett.7b00167
Radiosynthesis and Biological Distribution of 18F-Labeled Perfluorinated Alkyl Substances
Open access through ACS AuthorChoice
Environ. Sci. Technol. Lett., 2017, 4 (6), pp 211–215
DOI: 10.1021/acs.estlett.7b00042
Rapid Aqueous-Phase Photooxidation of Dimers in the α-Pinene Secondary Organic Aerosol
Environ. Sci. Technol. Lett., 2017, 4 (6), pp 205–210
DOI: 10.1021/acs.estlett.7b00148
Temperature Dependence of the Organic Carbon/Water Partition Ratios (KOC) of Volatile Methylsiloxanes
Open access through ACS AuthorChoice
Environ. Sci. Technol. Lett., 2017, 4 (6), pp 240–245
DOI: 10.1021/acs.estlett.7b00138
Increasing Ammonia Concentrations Reduce the Effectiveness of Particle Pollution Control Achieved via SO2 and NOX Emissions Reduction in East China
Environ. Sci. Technol. Lett., 2017, 4 (6), pp 221–227
DOI: 10.1021/acs.estlett.7b00143
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Industrial & Engineering Chemistry Research
Introduction of Anionic Surfactants to Copolymer Micelles: A Key to Improving Utilization Efficiency of P123 in Synthesis of Mesoporous Aluminosilicates
Open access through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (25), pp 7224–7228
DOI: 10.1021/acs.iecr.7b01142
Why Wasn’t My Manuscript Sent Out for Review?
Ind. Eng. Chem. Res., 2017, 56 (25), pp 7109–7111
DOI: 10.1021/acs.iecr.7b02317
Effect of Boric Acid on the Foaming Properties and Cell Structure of Poly(vinyl alcohol) Foam Prepared by Supercritical-CO2 Thermoplastic Extrusion Foaming
Open access through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (23), pp 6655–6663
DOI: 10.1021/acs.iecr.7b01171
Selective Metal–Organic Framework Catalysis of Glucose to 5-Hydroxymethylfurfural Using Phosphate-Modified NU-1000
Ind. Eng. Chem. Res., 2017, 56 (25), pp 7141–7148
DOI: 10.1021/acs.iecr.7b01164
Fundamental Understanding of CO2 Capture and Regeneration in Aqueous Amines from First-Principles Studies: Recent Progress and Remaining Challenges
Ind. Eng. Chem. Res., 2017, 56 (24), pp 6887–6899
DOI: 10.1021/acs.iecr.7b00213
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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
Novel trans-Ferulic Acid Derivatives Containing a Chalcone Moiety as Potential Activator for Plant Resistance Induction
Open access through ACS Editors’ Choice
J. Agric. Food Chem., 2017, 65 (22), pp 4367–4377
DOI: 10.1021/acs.jafc.7b00958
Characterization of Aroma-Active Compounds in Italian Tomatoes with Emphasis on New Odorants
J. Agric. Food Chem., 2017, 65 (25), pp 5198–5208
DOI: 10.1021/acs.jafc.7b01108
Higher Antioxidant Activity, Total Flavonols, and Specific Quercetin Glucosides in Two Different Onion (Allium cepa L.) Varieties Grown under Organic Production: Results from a 6-Year Field Study
J. Agric. Food Chem., 2017, 65 (25), pp 5122–5132
DOI: 10.1021/acs.jafc.7b01352
Pesticide Interactions: Mechanisms, Benefits, and Risks
J. Agric. Food Chem., 2017, 65 (23), pp 4553–4561
DOI: 10.1021/acs.jafc.7b01813
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Journal of Chemical & Engineering Data
Highly Efficient Adsorption of Heavy Metals onto Novel Magnetic Porous Composites Modified with Amino Groups
J. Chem. Eng. Data, 2017, 62 (6), pp 1865–1875
DOI: 10.1021/acs.jced.7b00198
Viscosity of Ionic Liquid–Ionic Liquid Mixtures
J. Chem. Eng. Data, 2017, 62 (6), pp 1884–1901
DOI: 10.1021/acs.jced.7b00221
A Review of Sodium Fluoride Solubility in Water
J. Chem. Eng. Data, 2017, 62 (6), pp 1743–1748
DOI: 10.1021/acs.jced.7b00089
Gas Hydrates Phase Equilibria and Formation from High Concentration NaCl Brines up to 200 MPa
J. Chem. Eng. Data, 2017, 62 (6), pp 1910–1918
DOI: 10.1021/acs.jced.7b00292
Optimized Mie Potentials for Phase Equilibria: Application to Branched Alkanes
J. Chem. Eng. Data, 2017, 62 (6), pp 1806–1818
DOI: 10.1021/acs.jced.6b01036
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Journal of Chemical Information and Modeling
Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories
Open access through ACS Editors’ Choice
J. Chem. Inf. Model., 2017, 57 (6), pp 1286–1299
DOI: 10.1021/acs.jcim.7b00048
Deciphering Cryptic Binding Sites on Proteins by Mixed-Solvent Molecular Dynamics
J. Chem. Inf. Model., 2017, 57 (6), pp 1388–1401
DOI: 10.1021/acs.jcim.6b00623
Computational Discovery and Experimental Validation of Inhibitors of the Human Intestinal Transporter OATP2B1
J. Chem. Inf. Model., 2017, 57 (6), pp 1402–1413
DOI: 10.1021/acs.jcim.6b00720
Examining the Feasibility of Using Free Energy Perturbation (FEP+) in Predicting Protein Stability
J. Chem. Inf. Model., 2017, 57 (6), pp 1276–1285
DOI: 10.1021/acs.jcim.7b000
PrimaDORAC: A Free Web Interface for the Assignment of Partial Charges, Chemical Topology, and Bonded Parameters in Organic or Drug Molecules
J. Chem. Inf. Model., 2017, 57 (6), pp 1240–1245
DOI: 10.1021/acs.jcim.7b0014502
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Journal of Chemical Theory and Computation
Real Cost of Speed: The Effect of a Time-Saving Multiple-Time-Stepping Algorithm on the Accuracy of Molecular Dynamics Simulations
J. Chem. Theory Comput., 2017, 13 (6), pp 2367–2372
DOI: 10.1021/acs.jctc.7b00178
Revisiting Hydrogen Bond Thermodynamics in Molecular Simulations
J. Chem. Theory Comput., 2017, 13 (6), pp 2851–2857
DOI: 10.1021/acs.jctc.7b00238
Neural Network and Nearest Neighbor Algorithms for Enhancing Sampling of Molecular Dynamics
J. Chem. Theory Comput., 2017, 13 (6), pp 2489–2500
DOI: 10.1021/acs.jctc.7b00188
The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design
J. Chem. Theory Comput., 2017, 13 (6), pp 3031–3048
DOI: 10.1021/acs.jctc.7b00125
Local Descriptors of Dynamic and Nondynamic Correlation
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (6), pp 2705–2711
DOI: 10.1021/acs.jctc.7b00293
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Journal of Medicinal Chemistry
Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer’s and Other Neurodegenerative Diseases
Open access through ACS AuthorChoice
J. Med. Chem., 2017, 60 (12), pp 5120–5145
DOI: 10.1021/acs.jmedchem.7b00475
Design and Discovery of N-(2-Methyl-5′-morpholino-6′-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3′-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers
J. Med. Chem., 2017, 60 (12), pp 4869–4881
DOI: 10.1021/acs.jmedchem.6b01862
Drug Annotation
J. Med. Chem., 2017, 60 (11), pp 4559–4572
DOI: 10.1021/acs.jmedchem.7b00408
Hot-Spotting with Thermal Scanning: A Ligand- and Structure-Independent Assessment of Target Ligandability
J. Med. Chem., 2017, 60 (12), pp 4923–4931
DOI: 10.1021/acs.jmedchem.7b00208
Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes
Open access through ACS AuthorChoice
J. Med. Chem., 2017, 60 (12), pp 5209–5215
DOI: 10.1021/acs.jmedchem.6b01224
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The Journal of Physical Chemistry A
Singlet–Triplet Gaps through Incremental Full Configuration Interaction
Open access through ACS Editors’ Choice
J. Phys. Chem. A, 2017, 121 (24), pp 4712–4720
DOI: 10.1021/acs.jpca.7b03998
Excited-State Dynamics of 2-(2′-Hydroxyphenyl)benzothiazole: Ultrafast Proton Transfer and Internal Conversion
J. Phys. Chem. A, 2017, 121 (24), pp 4595–4605
DOI: 10.1021/acs.jpca.7b01215
Mechanism of Photocatalytic Water Splitting with Graphitic Carbon Nitride: Photochemistry of the Heptazine–Water Complex
J. Phys. Chem. A, 2017, 121 (25), pp 4754–4764
DOI: 10.1021/acs.jpca.7b04594
J-Type Heteroexciton Coupling Effect on an Asymmetric Donor–Acceptor–Donor-Type Fluorophore
J. Phys. Chem. A, 2017, 121 (24), pp 4613–4618
DOI: 10.1021/acs.jpca.7b02783
Improved pKa Prediction of Substituted Alcohols, Phenols, and Hydroperoxides in Aqueous Medium Using Density Functional Theory and a Cluster-Continuum Solvation Model
J. Phys. Chem. A, 2017, 121 (24), pp 4698–4706
DOI: 10.1021/acs.jpca.7b03907
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The Journal of Physical Chemistry B
Virtual Issue in Memory of David Chandler
J. Phys. Chem. B, 2017, 121 (21), pp 5309–5311
DOI: 10.1021/acs.jpcb.7b04830
Fluorescence Dynamics of a FRET Probe Designed for Crowding Studies
J. Phys. Chem. B, 2017, 121 (23), pp 5688–5698
DOI: 10.1021/acs.jpcb.7b01306
Second-Generation ReaxFF Water Force Field: Improvements in the Description of Water Density and OH-Anion Diffusion
J. Phys. Chem. B, 2017, 121 (24), pp 6021–6032
DOI: 10.1021/acs.jpcb.7b02548Reunderstanding the Fluorescent Behavior of Four-Coordinate Monoboron Complexes Containing Monoanionic Bidentate Ligands
J. Phys. Chem. B, 2017, 121 (25), pp 6189–6199
DOI: 10.1021/acs.jpcb.7b02405Enhanced Sampling of Phase Transitions in Coarse-Grained Lipid Bilayers
J. Phys. Chem. B, 2017, 121 (23), pp 5770–5780
DOI: 10.1021/acs.jpcb.6b11711
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The Journal of Physical Chemistry C
Delayed Luminescence in Lead Halide Perovskite Nanocrystals
J. Phys. Chem. C, 2017, 121 (24), pp 13381–13390
DOI: 10.1021/acs.jpcc.7b03771
Transient Optoelectronic Analysis of the Impact of Material Energetics and Recombination Kinetics on the Open-Circuit Voltage of Hybrid Perovskite Solar Cells
J. Phys. Chem. C, 2017, 121 (25), pp 13496–13506
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What is “New Physical Insight”? Answers for the Colloidal Nanoplasmonic, Nanobio Community and Others
J. Phys. Chem. C, 2017, 121 (24), pp 12979–12979
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Theoretical Study of Conversion and Decay Processes of Excited Triplet and Singlet States in a Thermally Activated Delayed Fluorescence Molecule
J. Phys. Chem. C, 2017, 121 (25), pp 13448–13456
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D–A−π–A System: Light Harvesting, Charge Transfer, and Molecular Designing
J. Phys. Chem. C, 2017, 121 (23), pp 12546–12561
DOI: 10.1021/acs.jpcc.7b02328
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The Journal of Physical Chemistry Letters
Novel Liposome-Based Surface-Enhanced Raman Spectroscopy (SERS) Substrate
Open access through ACS Editors’ Choice
J. Phys. Chem. Lett., 2017, 8 (12), pp 2639–2646
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Intrinsic Bond Energies from a Bonds-in-Molecules Neural Network
J. Phys. Chem. Lett., 2017, 8 (12), pp 2689–2694
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Are Electron Affinity and Ionization Potential Intrinsic Parameters to Predict the Electron or Hole Acceptor Character of Amorphous Molecular Materials?
J. Phys. Chem. Lett., 2017, 8 (11), pp 2445–2449
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Reversible Concentration-Dependent Photoluminescence Quenching and Change of Emission Color in CsPbBr3 Nanowires and Nanoplatelets
J. Phys. Chem. Lett., 2017, 8 (12), pp 2725–2729
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Pressure-Induced Effects in Organic–Inorganic Hybrid Perovskites
J. Phys. Chem. Lett., 2017, 8 (12), pp 2613–2622
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Journal of Proteome Research
Differential Protein Analysis of IPEC-J2 Cells Infected with Porcine Epidemic Diarrhea Virus Pandemic and Classical Strains Elucidates the Pathogenesis of Infection
J. Proteome Res., 2017, 16 (6), pp 2113–2120
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iTRAQ and RNA-Seq Analyses Provide New Insights into Regulation Mechanism of Symbiotic Germination of Dendrobium officinale Seeds (Orchidaceae)
J. Proteome Res., 2017, 16 (6), pp 2174–2187
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Metabolomics–Proteomics Combined Approach Identifies Differential Metabolism-Associated Molecular Events between Senescence and Apoptosis
J. Proteome Res., 2017, 16 (6), pp 2250–2261
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Metabolomics Study of the Effects of Inflammation, Hypoxia, and High Glucose on Isolated Human Pancreatic Islets
J. Proteome Res., 2017, 16 (6), pp 2294–2306
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Unbiased Protein Association Study on the Public Human Proteome Reveals Biological Connections between Co-Occurring Protein Pairs
Open access through ACS AuthorChoice
J. Proteome Res., 2017, 16 (6), pp 2204–2212
DOI: 10.1021/acs.jproteome.6b01066
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Molecular Pharmaceutics
Functionalized Lipid–Polymer Hybrid Nanoparticles Mediated Codelivery of Methotrexate and Aceclofenac: A Synergistic Effect in Breast Cancer with Improved Pharmacokinetics Attributes
Mol. Pharmaceutics, 2017, 14 (6), pp 1883–1897
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Development of a Biorelevant, Material-Sparing Membrane Flux Test for Rapid Screening of Bioavailability-Enhancing Drug Product Formulations
Mol. Pharmaceutics, 2017, 14 (6), pp 2032–2046
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Acid-Sensitive Sheddable PEGylated, Mannose-Modified Nanoparticles Increase the Delivery of Betamethasone to Chronic Inflammation Sites in a Mouse Model
Mol. Pharmaceutics, 2017, 14 (6), pp 1929–1937
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Superior Plasticity and Tabletability of Theophylline Monohydrate
Open access through ACS AuthorChoice
Mol. Pharmaceutics, 2017, 14 (6), pp 2047–2055
DOI: 10.1021/acs.molpharmaceut.7b00124
Leveraging Colloidal Aggregation for Drug-Rich Nanoparticle Formulations
Mol. Pharmaceutics, 2017, 14 (6), pp 1852–1860
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Organic Process Research & Development
Some Items of Interest to Process R&D Chemists and Engineers
Org. Process Res. Dev., 2017, 21 (6), pp 789–799
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Development of a Continuous-Flow Sonogashira Cross-Coupling Protocol using Propyne Gas under Process Intensified Conditions
Org. Process Res. Dev., 2017, 21 (6), pp 878–884
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Process Analytical Tools To Control Polymorphism and Particle Size in Batch Crystallization Processes
Org. Process Res. Dev., 2017, 21 (6), pp 855–865
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Model Predictive Control of an Integrated Continuous Pharmaceutical Manufacturing Pilot Plant
Org. Process Res. Dev., 2017, 21 (6), pp 844–854
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Selective One-Pot Three-Step Cascade Reaction: From Aromatic Aldehydes to 2,2-Diphenylethanol Derivatives
Org. Process Res. Dev., 2017, 21 (6), pp 835–843
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