Discover the Most-Read Applied Chemistry Articles of September 2017

What were chemists reading in September 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 September 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 September 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

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

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

Highly Stretchable, Ultrasensitive, and Wearable Strain Sensors Based on Facilely Prepared Reduced Graphene Oxide Woven Fabrics in an Ethanol Flame
ACS Appl. Mater. Interfaces, 2017, 9 (37), pp 32054–32064
DOI: 10.1021/acsami.7b09652

Metal–Organic-Framework-Derived Yolk–Shell-Structured Cobalt-Based Bimetallic Oxide Polyhedron with High Activity for Electrocatalytic Oxygen Evolution
ACS Appl. Mater. Interfaces, 2017, 9 (37), pp 31777–31785
DOI: 10.1021/acsami.7b07000

Lowering Band Gap of an Electroactive Metal–Organic Framework via Complementary Guest Intercalation
ACS Appl. Mater. Interfaces, 2017, 9 (38), pp 32413–32417
DOI: 10.1021/acsami.7b07292

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ACS Biomaterials Science & Engineering

Mimicking the Bioactivity of Fibroblast Growth Factor-2 Using Supramolecular Nanoribbons
Open Access Through ACS Editors’ Choice
ACS Biomater. Sci. Eng., 2017, 3 (9), pp 2166–2175
DOI: 10.1021/acsbiomaterials.7b00347

Special Issue on Tissue Engineering
This article is part of the Tissue Engineering special issue
ACS Biomater. Sci. Eng., 2017, 3 (9), pp 1880–1883
DOI: 10.1021/acsbiomaterials.7b00604

AFM-Nanomechanical Test: An Interdisciplinary Tool That Links the Understanding of Cartilage and Meniscus Biomechanics, Osteoarthritis Degeneration, and Tissue Engineering
ACS Biomater. Sci. Eng., 2017, 3 (9), pp 2033–2049
DOI: 10.1021/acsbiomaterials.7b00307

3D Printing of Regenerated Silk Fibroin and Antibody-Containing Microstructures via Multiphoton Lithography
ACS Biomater. Sci. Eng., 2017, 3 (9), pp 2064–2075
DOI: 10.1021/acsbiomaterials.7b00338

Controlled Release of Nitric Oxide from Liposomes
ACS Biomater. Sci. Eng., 2017, 3 (9), pp 2136–2143
DOI: 10.1021/acsbiomaterials.7b00255

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ACS Combinatorial Science

An Efficient One-Pot Synthesis of Densely Functionalized Fused-Quinolines via Sequential Ugi4CC and Acid-Mediated Povarov-Type Reaction
ACS Comb. Sci., 2017, 19 (9), pp 600–608
DOI: 10.1021/acscombsci.7b00095

Selection of Effective HTRA3 Activators Using Combinatorial Chemistry
ACS Comb. Sci., 2017, 19 (9), pp 565–573
DOI: 10.1021/acscombsci.7b00051

Fabrication of TiO2-Reduced Graphene Oxide Nanorod Composition Spreads Using Combinatorial Hydrothermal Synthesis and Their Photocatalytic and Photoelectrochemical Applications
ACS Comb. Sci., 2017, 19 (9), pp 585–593
DOI: 10.1021/acscombsci.7b00077

Shape Memory Micro- and Nanowire Libraries for the High-Throughput Investigation of Scaling Effects
ACS Comb. Sci., 2017, 19 (9), pp 574–584
DOI: 10.1021/acscombsci.7b00065

Fabrication of a New Lineage of Artificial Luciferases from Natural Luciferase Pools
ACS Comb. Sci., 2017, 19 (9), pp 594–599
DOI: 10.1021/acscombsci.7b00081

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ACS Energy Letters

Lead Halide Perovskite Nanocrystals in the Research Spotlight: Stability and Defect Tolerance
Open Access Through ACS Editors’ Choice
ACS Energy Lett., 2017, 2 (9), pp 2071–2083
DOI: 10.1021/acsenergylett.7b00547

Photochemistry and Light Energy Conversion
ACS Energy Lett., 2017, 2 (9), pp 2157–2158
DOI: 10.1021/acsenergylett.7b00746

Fluorescent Alloy CsPbxMn1–xI3 Perovskite Nanocrystals with High Structural and Optical Stability
ACS Energy Lett., 2017, 2 (9), pp 2183–2186
DOI: 10.1021/acsenergylett.7b00707

Materials and Systems for Organic Redox Flow Batteries: Status and Challenges
ACS Energy Lett., 2017, 2 (9), pp 2187–2204
DOI: 10.1021/acsenergylett.7b00650

High-Valence-State NiO/Co3O4 Nanoparticles on Nitrogen-Doped Carbon for Oxygen Evolution at Low Overpotential
ACS Energy Lett., 2017, 2 (9), pp 2177–2182
DOI: 10.1021/acsenergylett.7b00691

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ACS Infectious Diseases

Hydrophilic Phage-Mimicking Membrane Active Antimicrobials Reveal Nanostructure-Dependent Activity and Selectivity
Open Access Through ACS Editors’ Choice
ACS Infect. Dis., 2017, 3 (9), pp 676–687
DOI: 10.1021/acsinfecdis.7b00076

Ribosome Rescue Inhibitors Kill Actively Growing and Nonreplicating Persister Mycobacterium tuberculosis Cells
Open Access Through ACS AuthorChoice
ACS Infect. Dis., 2017, 3 (9), pp 634–644
DOI: 10.1021/acsinfecdis.7b00028

Catabolism of the Cholesterol Side Chain in Mycobacterium tuberculosis Is Controlled by a Redox-Sensitive Thiol Switch
ACS Infect. Dis., 2017, 3 (9), pp 666–675
DOI: 10.1021/acsinfecdis.7b00072

Entry Inhibitors: A Perspective for Prevention of Hepatitis C Virus Infection in Organ Transplantation
ACS Infect. Dis., 2017, 3 (9), pp 620–623
DOI: 10.1021/acsinfecdis.7b00091

Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes
ACS Infect. Dis., 2017, 3 (9), pp 653–665
DOI: 10.1021/acsinfecdis.7b00068

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ACS Medicinal Chemistry Letters

Medicinal Chemistry: Where Are All the Women?
ACS Med. Chem. Lett., 2017, 8 (9), pp 900–902
DOI: 10.1021/acsmedchemlett.7b00321

Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors
ACS Med. Chem. Lett., 2017, 8 (9), pp 975–980
DOI: 10.1021/acsmedchemlett.7b00293

Mitragyna speciosa: Balancing Potential Medical Benefits and Abuse
ACS Med. Chem. Lett., 2017, 8 (9), pp 897–899
DOI: 10.1021/acsmedchemlett.7b00298

Discovery of AZD-2098 and AZD-1678, Two Potent and Bioavailable CCR4 Receptor Antagonists
ACS Med. Chem. Lett., 2017, 8 (9), pp 981–986
DOI: 10.1021/acsmedchemlett.7b00315

Design, Synthesis, and Evaluation of Tetrahydropyrrolo[1,2-c]pyrimidines as Capsid Assembly Inhibitors for HBV Treatment
ACS Med. Chem. Lett., 2017, 8 (9), pp 969–974
DOI: 10.1021/acsmedchemlett.7b00288

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ACS Sensors

Single Molecule Nanopore Spectrometry for Peptide Detection
Open Access Through ACS Editors’ Choice
ACS Sens., 2017, 2 (9), pp 1319–1328
DOI: 10.1021/acssensors.7b00362

Diagnosis of Tuberculosis Using Colorimetric Gold Nanoparticles on a Paper-Based Analytical Device
ACS Sens., 2017, 2 (9), pp 1345–1354
DOI: 10.1021/acssensors.7b00450

Reversible Reaction-Based Fluorescent Probe for Real-Time Imaging of Glutathione Dynamics in Mitochondria
ACS Sens., 2017, 2 (9), pp 1257–1261
DOI: 10.1021/acssensors.7b00425

MOFs for the Sensitive Detection of Ammonia: Deployment of fcu-MOF Thin Films as Effective Chemical Capacitive Sensors
ACS Sens., 2017, 2 (9), pp 1294–1301
DOI: 10.1021/acssensors.7b00304

Direct, Label-Free, and Rapid Transistor-Based Immunodetection in Whole Serum
ACS Sens., 2017, 2 (9), pp 1278–1286
DOI: 10.1021/acssensors.7b00187

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ACS Sustainable Chemistry & Engineering

Luque, Yan, You: 2018 Winners of the ACS Sustainable Chemistry & Engineering Lectureship Awards
ACS Sustainable Chem. Eng., 2017, 5 (9), pp 7450–7450
DOI: 10.1021/acssuschemeng.7b02826

Ball Milling for Biomass Fractionation and Pretreatment with Aqueous Hydroxide Solutions
Open Access Through ACS AuthorChoice
ACS Sustainable Chem. Eng., 2017, 5 (9), pp 7733–7742
DOI: 10.1021/acssuschemeng.7b01186

Facile Synthesis of MoS2/g-C3N4/GO Ternary Heterojunction with Enhanced Photocatalytic Activity for Water Splitting
ACS Sustainable Chem. Eng., 2017, 5 (9), pp 7878–7886
DOI: 10.1021/acssuschemeng.7b01386

Designing Ionic Liquids for the Extraction of Alcohols from Fermentation Broth: Phosphonium Alkanesulfonates, Solvents for Diol Extraction
Open Access Through ACS Editors’ Choice
ACS Sustainable Chem. Eng., 2017, 5 (9), pp 8260–8268
DOI: 10.1021/acssuschemeng.7b01934

Optimization of Active Sites of MoS2 Nanosheets Using Nonmetal Doping and Exfoliation into Few Layers on CdS Nanorods for Enhanced Photocatalytic Hydrogen Production
ACS Sustainable Chem. Eng., 2017, 5 (9), pp 7651–7658
DOI: 10.1021/acssuschemeng.7b00978

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ACS Synthetic Biology

Targeting Specificity of the CRISPR/Cas9 System
ACS Synth. Biol., 2017, 6 (9), pp 1609–1613
DOI: 10.1021/acssynbio.7b00270

Engineered Assimilation of Exogenous and Endogenous Formate in Escherichia coli
Open Access Through ACS AuthorChoice
ACS Synth. Biol., 2017, 6 (9), pp 1722–1731
DOI: 10.1021/acssynbio.7b00086

A Fluorescent Split Aptamer for Visualizing RNA–RNA Assembly In Vivo
Open Access Through ACS AuthorChoice
ACS Synth. Biol., 2017, 6 (9), pp 1710–1721
DOI: 10.1021/acssynbio.7b00059

Establishing an Artificial Pathway for De Novo Biosynthesis of Vanillyl Alcohol in Escherichia coli
ACS Synth. Biol., 2017, 6 (9), pp 1784–1792
DOI: 10.1021/acssynbio.7b00129

Introducing Our Authors
ACS Synth. Biol., 2017, 6 (9), pp 1607–1608
DOI: 10.1021/acssynbio.7b00320

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Analytical Chemistry

From the Great to the Scam, Carefully Select Your Scientific Conferences
Anal. Chem., 2017, 89 (17), pp 8581–8581
DOI: 10.1021/acs.analchem.7b03170

Nanopipette-Based SERS Aptasensor for Subcellular Localization of Cancer Biomarker in Single Cells
Anal. Chem., 2017, 89 (18), pp 9911–9917
DOI: 10.1021/acs.analchem.7b02147

In Vitro Isothermal Nucleic Acid Amplification Assisted Surface-Enhanced Raman Spectroscopic for Ultrasensitive Detection of Vibrio parahaemolyticus
Anal. Chem., 2017, 89 (18), pp 9775–9780
DOI: 10.1021/acs.analchem.7b01717

Intracellular Proteolytic Disassembly of Self-Quenched Near-Infrared Nanoparticles Turning Fluorescence on for Tumor-Targeted Imaging
Anal. Chem., 2017, 89 (18), pp 9625–9628
DOI: 10.1021/acs.analchem.7b02971

Development of a Silicon-Rhodamine Based Near-Infrared Emissive Two-Photon Fluorescent Probe for Nitric Oxide
Anal. Chem., 2017, 89 (18), pp 9620–9624
DOI: 10.1021/acs.analchem.7b02697

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Chemical Research in Toxicology

Variation in Extracellular Detoxification Is a Link to Different Carcinogenicity among Chromates in Rodent and Human Lungs
Open Access Through ACS Editors’ Choice
Chem. Res. Toxicol., 2017, 30 (9), pp 1720–1729
DOI: 10.1021/acs.chemrestox.7b00172

Exposure to Electrophiles Impairs Reactive Persulfide-Dependent Redox Signaling in Neuronal Cells
Chem. Res. Toxicol., 2017, 30 (9), pp 1673–1684
DOI: 10.1021/acs.chemrestox.7b00120

Spotlight
Chem. Res. Toxicol., 2017, 30 (9), pp 1653–1654
DOI: 10.1021/acs.chemrestox.7b00236

Biological Monitoring of Inhaled Nanoparticles in Patients: An Appealing Approach To Study Causal Link between Human Respiratory Pathology and Exposure to Nanoparticles
Chem. Res. Toxicol., 2017, 30 (9), pp 1655–1660
DOI: 10.1021/acs.chemrestox.7b00192

Physiological Concentrations of Ascorbate Cannot Prevent the Potentially Damaging Reactions of Protein Radicals in Humans
Chem. Res. Toxicol., 2017, 30 (9), pp 1702–1710
DOI: 10.1021/acs.chemrestox.7b00160

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Crystal Growth & Design

Thermochemistry of Racemic and Enantiopure Organic Crystals for Predicting Enantiomer Separation
Open Access Through ACS Editors’ Choice
Cryst. Growth Des., 2017, 17 (9), pp 4676–4686
DOI: 10.1021/acs.cgd.7b00582

Photo- vs Mechano-Induced Polymorphism and Single Crystal to Single Crystal [2 + 2] Photoreactivity in a Bromide Salt of 4-Amino-Cinnamic Acid
Cryst. Growth Des., 2017, 17 (9), pp 4491–4495
DOI: 10.1021/acs.cgd.7b00415

Zinc(II)-Directed Self-Assembly of Metal–Organic Nanocapsules
Cryst. Growth Des., 2017, 17 (9), pp 4501–4503
DOI: 10.1021/acs.cgd.7b00597

Tubular Superstructures Composed of α-Fe2O3 Nanoparticles from Pyrolysis of Metal–Organic Frameworks in a Confined Space: Effect on Morphology, Particle Size, and Magnetic Properties
Cryst. Growth Des., 2017, 17 (9), pp 4496–4500
DOI: 10.1021/acs.cgd.7b00547

Facile Green Synthesis of WO3·H2O Nanoplates and WO3 Nanowires with Enhanced Photoelectrochemical Performance
Cryst. Growth Des., 2017, 17 (9), pp 4949–4957
DOI: 10.1021/acs.cgd.7b00886

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Energy & Fuels

Comparisons of SEM, Low-Field NMR, and Mercury Intrusion Capillary Pressure in Characterization of the Pore Size Distribution of Lacustrine Shale: A Case Study on the Dongying Depression, Bohai Bay Basin, China
Energy Fuels, 2017, 31 (9), pp 9232–9239
DOI: 10.1021/acs.energyfuels.7b01625

Thermo-responsive Temporary Plugging Agent Based on Multiple Phase Transition Supramolecular Gel
Energy Fuels, 2017, 31 (9), pp 9283–9289
DOI: 10.1021/acs.energyfuels.7b01691

Hybrid Alkoxysilane-Functionalized Urethane-Imide-Based Poly(ionic liquids) as a New Platform for Carbon Dioxide Capture
Energy Fuels, 2017, 31 (9), pp 9840–9849
DOI: 10.1021/acs.energyfuels.7b02027

Determining the Kinetics of Asphaltene Adsorption from Toluene: A New Reaction–Diffusion Model
Energy Fuels, 2017, 31 (9), pp 9101–9116
DOI: 10.1021/acs.energyfuels.7b01374

Classifying Multiscale Pores and Investigating Their Relationship with Porosity and Permeability in Tight Sandstone Gas Reservoirs
Energy Fuels, 2017, 31 (9), pp 9188–9200
DOI: 10.1021/acs.energyfuels.7b01487

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Environmental Science & Technology

Advanced Materials, Technologies, and Complex Systems Analyses: Emerging Opportunities to Enhance Urban Water Security
Environ. Sci. Technol., 2017, 51 (18), pp 10274–10281
DOI: 10.1021/acs.est.7b01679

Selective Uptake and Bioaccumulation of Antidepressants in Fish from Effluent-Impacted Niagara River
Environ. Sci. Technol., 2017, 51 (18), pp 10652–10662
DOI: 10.1021/acs.est.7b02912

Environmental and Human Impacts of Unconventional Energy Development
Environ. Sci. Technol., 2017, 51 (18), pp 10271–10273
DOI: 10.1021/acs.est.7b04336

Water Issues Related to Transitioning from Conventional to Unconventional Oil Production in the Permian Basin
Open Access Through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (18), pp 10903–10912
DOI: 10.1021/acs.est.7b02185

Author Gender and Career Progression in Environmental Science & Technology
Environ. Sci. Technol., 2017, 51 (17), pp 9417–9418
DOI: 10.1021/acs.est.7b02979

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Environmental Science & Technology Letters

Forensic Estimates of Lead Release from Lead Service Lines during the Water Crisis in Flint, Michigan
Open Access Through ACS AuthorChoice
Environ. Sci. Technol. Lett., 2017, 4 (9), pp 356–361
DOI: 10.1021/acs.estlett.7b00226

Shape-Dependent Transformation and Translocation of Ceria Nanoparticles in Cucumber Plants
Environ. Sci. Technol. Lett., 2017, 4 (9), pp 380–385
DOI: 10.1021/acs.estlett.7b00359

Relative Humidity Dependence of Soot Aggregate Restructuring Induced by Secondary Organic Aerosol: Effects of Water on Coating Viscosity and Surface Tension
Environ. Sci. Technol. Lett., 2017, 4 (9), pp 386–390
DOI: 10.1021/acs.estlett.7b00298

Microbial Electrochemical Energy Storage and Recovery in a Combined Electrotrophic and Electrogenic Biofilm
Environ. Sci. Technol. Lett., 2017, 4 (9), pp 374–379
DOI: 10.1021/acs.estlett.7b00335

Cytotoxicity of Biochar: A Workplace Safety Concern?
Environ. Sci. Technol. Lett., 2017, 4 (9), pp 362–366
DOI: 10.1021/acs.estlett.7b00267

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Industrial & Engineering Chemistry Research

Nanoseeded Catalytic Terpolymerization of CO, Ethylene, and Propylene by Size-Controlled SiO2@Sulfonated Microporous Organic Polymer
Open Access Through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (37), pp 10235–10241
DOI: 10.1021/acs.iecr.7b02509

I&EC Research 2017 Excellence in Review Awards
Ind. Eng. Chem. Res., 2017, 56 (36), pp 9933–9933
DOI: 10.1021/acs.iecr.7b03605

Next-Generation Nanoporous Materials: Progress and Prospects for Reverse Osmosis and Nanofiltration
Ind. Eng. Chem. Res., 2017, 56 (38), pp 10526–10551
DOI: 10.1021/acs.iecr.7b02411

Molecular Epitaxy on Two-Dimensional Materials: The Interplay between Interactions
Ind. Eng. Chem. Res., 2017, 56 (38), pp 10552–10581
DOI: 10.1021/acs.iecr.7b02669

Announcing the 2017 Class of Influential Researchers
Ind. Eng. Chem. Res., 2017, 56 (38), pp 10515–10515
DOI: 10.1021/acs.iecr.7b03758

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Journal of Agricultural and Food Chemistry

Persistent Luminescence Nanophosphor Involved Near-Infrared Optical Bioimaging for Investigation of Foodborne Probiotics Biodistribution in Vivo: A Proof-of-Concept Study
Open Access Through ACS Editors’ Choice
J. Agric. Food Chem., 2017, 65 (37), pp 8229–8240
DOI: 10.1021/acs.jafc.7b02870

Purification and Characterization of Latent Polyphenol Oxidase from Apricot (Prunus armeniaca L.)
Open Access Through ACS AuthorChoice
J. Agric. Food Chem., 2017, 65 (37), pp 8203–8212
DOI: 10.1021/acs.jafc.7b03210

Mechanisms for Increasing the pH Buffering Capacity of an Acidic Ultisol by Crop Residue-Derived Biochars
J. Agric. Food Chem., 2017, 65 (37), pp 8111–8119
DOI: 10.1021/acs.jafc.7b02266

Advances in Polyphenol Research: A Journal of Agricultural and Food Chemistry Virtual Issue
J. Agric. Food Chem., 2017, 65 (37), pp 8093–8095
DOI: 10.1021/acs.jafc.7b04055

The Nutritive Value of Organic and Conventional White Cabbage (Brassica Oleracea L. Var. Capitata) and Anti-Apoptotic Activity in Gastric Adenocarcinoma Cells of Sauerkraut Juice Produced Therof
J. Agric. Food Chem., 2017, 65 (37), pp 8171–8183
DOI: 10.1021/acs.jafc.7b01078

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Journal of Chemical & Engineering Data

Memorial Issue in Honor of Kenneth N. Marsh: Preface
This article is part of the Memorial Issue in Honor of Ken Marsh special issue
J. Chem. Eng. Data, 2017, 62 (9), pp 2475–2480
DOI: 10.1021/acs.jced.7b00726

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
This article is part of the Memorial Issue in Honor of Ken Marsh special issue
J. Chem. Eng. Data, 2017, 62 (9), pp 2570–2577
DOI: 10.1021/acs.jced.7b00065

Determination and Prediction for the Polarity of Ionic Liquids
This article is part of the Memorial Issue in Honor of Ken Marsh special issue
J. Chem. Eng. Data, 2017, 62 (9), pp 2610–2616
DOI: 10.1021/acs.jced.7b00082

Interfacial Tension between Methane and Water Containing Kinetic Hydrate Inhibitor PVP Ramification and Its Emulsification Property
This article is part of the Memorial Issue in Honor of Ken Marsh special issue
J. Chem. Eng. Data, 2017, 62 (9), pp 2770–2775
DOI: 10.1021/acs.jced.7b00113

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Journal of Chemical Information and Modeling

Data Resources for the Computer-Guided Discovery of Bioactive Natural Products
J. Chem. Inf. Model., 2017, 57 (9), pp 2099–2111
DOI: 10.1021/acs.jcim.7b00341

Improved Method for the Identification and Validation of Allosteric Sites
J. Chem. Inf. Model., 2017, 57 (9), pp 2358–2363
DOI: 10.1021/acs.jcim.7b00014

A Computational Investigation of Small-Molecule Engagement of Hot Spots at Protein–Protein Interaction Interfaces
J. Chem. Inf. Model., 2017, 57 (9), pp 2250–2272
DOI: 10.1021/acs.jcim.7b00181

Statistical Analysis on the Performance of Molecular Mechanics Poisson–Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study
Open Access Through ACS AuthorChoice
J. Chem. Inf. Model., 2017, 57 (9), pp 2203–2221
DOI: 10.1021/acs.jcim.7b00347

Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits
J. Chem. Inf. Model., 2017, 57 (9), pp 2143–2151
DOI: 10.1021/acs.jcim.7b00401

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Journal of Chemical Theory and Computation

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

Coarse-Grained Directed Simulation
J. Chem. Theory Comput., 2017, 13 (9), pp 4593–4603
DOI: 10.1021/acs.jctc.7b00690

Conceptual Problem with Calculating Electron Densities in Finite Basis Density Functional Theory
J. Chem. Theory Comput., 2017, 13 (9), pp 3961–3963
DOI: 10.1021/acs.jctc.7b00562

POVME 3.0: Software for Mapping Binding Pocket Flexibility
J. Chem. Theory Comput., 2017, 13 (9), pp 4584–4592
DOI: 10.1021/acs.jctc.7b00500

Characterization of Ciprofloxacin Permeation Pathways across the Porin OmpC Using Metadynamics and a String Method
J. Chem. Theory Comput., 2017, 13 (9), pp 4553–4566
DOI: 10.1021/acs.jctc.7b00467

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Journal of Medicinal Chemistry

5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PQR309), a Potent, Brain-Penetrant, Orally Bioavailable, Pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology
Open Access Through ACS AuthorChoice
J. Med. Chem., 2017, 60 (17), pp 7524–7538
DOI: 10.1021/acs.jmedchem.7b00930

Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders
J. Med. Chem., 2017, 60 (18), pp 7677–7702
DOI: 10.1021/acs.jmedchem.7b00807

Discovery of an Orally Bioavailable, Brain-Penetrating, in Vivo Active Phosphodiesterase 2A Inhibitor Lead Series for the Treatment of Cognitive Disorders
J. Med. Chem., 2017, 60 (18), pp 7658–7676
DOI: 10.1021/acs.jmedchem.7b00709

Discovery and Optimization of 5-Amino-1,2,3-triazole-4-carboxamide Series against Trypanosoma cruzi
Open Access Through ACS Editors’ Choice
J. Med. Chem., 2017, 60 (17), pp 7284–7299
DOI: 10.1021/acs.jmedchem.7b00463

Structure-Guided Development of Covalent and Mutant-Selective Pyrazolopyrimidines to Target T790M Drug Resistance in Epidermal Growth Factor Receptor
J. Med. Chem., 2017, 60 (18), pp 7725–7744
DOI: 10.1021/acs.jmedchem.7b00515

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The Journal of Physical Chemistry A

In Quest of the Alanine R3 Radical: Multivariate EPR Spectral Analyses of X-Irradiated Alanine in the Solid State
Open Access Through ACS Editors’ Choice
J. Phys. Chem. A, 2017, 121 (38), pp 7139–7147
DOI: 10.1021/acs.jpca.7b06447

Does the Residues Chirality Modify the Conformation of a Cyclo-Dipeptide? Vibrational Spectroscopy of Protonated Cyclo-diphenylalanine in the Gas Phase
J. Phys. Chem. A, 2017, 121 (38), pp 7130–7138
DOI: 10.1021/acs.jpca.7b06159

Automated Transition State Theory Calculations for High-Throughput Kinetics
J. Phys. Chem. A, 2017, 121 (37), pp 6896–6904
DOI: 10.1021/acs.jpca.7b07361

Proposed Empirical Entropy and Gibbs Energy Based on Observations of Scale Invariance in Open Nonequilibrium Systems
Open Access Through ACS AuthorChoice
J. Phys. Chem. A, 2017, 121 (35), pp 6620–6629
DOI: 10.1021/acs.jpca.7b03112

IR Spectroscopy of Protonated Acetylacetone and Its Water Clusters: Enol–Keto Tautomers and Ion→Solvent Proton Transfer
This article is part of the virtual special issue “Veronica Vaida Festschrift.”
J. Phys. Chem. A, 2017, 121 (37), pp 7059–7069
DOI: 10.1021/acs.jpca.7b07180

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The Journal of Physical Chemistry B

Role of Electrostatics in Protein–RNA Binding: The Global vs the Local Energy Landscape
J. Phys. Chem. B, 2017, 121 (36), pp 8437–8446
DOI: 10.1021/acs.jpcb.7b04318

Combining Graphical and Analytical Methods with Molecular Simulations To Analyze Time-Resolved FRET Measurements of Labeled Macromolecules Accurately
Open Access Through ACS AuthorChoice
J. Phys. Chem. B, 2017, 121 (35), pp 8211–8241
DOI: 10.1021/acs.jpcb.7b03441

Modeling of Polyelectrolyte Adsorption from Micellar Solutions onto Biomimetic Substrates
Open Access Through ACS AuthorChoice
J. Phys. Chem. B, 2017, 121 (37), pp 8638–8651
DOI: 10.1021/acs.jpcb.7b05195

Not All β-Sheets Are the Same: Amyloid Infrared Spectra, Transition Dipole Strengths, and Couplings Investigated by 2D IR Spectroscopy
J. Phys. Chem. B, 2017, 121 (38), pp 8935–8945
DOI: 10.1021/acs.jpcb.7b06826

Super-Resolution Far-Field Infrared Imaging by Photothermal Heterodyne Imaging
Open Access Through ACS AuthorChoice
J. Phys. Chem. B, 2017, 121 (37), pp 8838–8846
DOI: 10.1021/acs.jpcb.7b06065

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The Journal of Physical Chemistry C

SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces
Open Access Through ACS Editors’ Choice
J. Phys. Chem. C, 2017, 121 (36), pp 19807–19815
DOI: 10.1021/acs.jpcc.7b05677

Electronic Materials: The New Physical Insights
J. Phys. Chem. C, 2017, 121 (35), pp 18973–18974
DOI: 10.1021/acs.jpcc.7b08003

Postsynthetic, Reversible Cation Exchange between Pb2+ and Mn2+ in Cesium Lead Chloride Perovskite Nanocrystals
J. Phys. Chem. C, 2017, 121 (37), pp 20387–20395
DOI: 10.1021/acs.jpcc.7b06929

Catalytic Activity and Product Selectivity Trends for Carbon Dioxide Electroreduction on Transition Metal-Coated Tungsten Carbides
J. Phys. Chem. C, 2017, 121 (37), pp 20306–20314
DOI: 10.1021/acs.jpcc.7b05741

Cobalt-Doped Ceria/Reduced Graphene Oxide Nanocomposite as an Efficient Oxygen Reduction Reaction Catalyst and Supercapacitor Material
J. Phys. Chem. C, 2017, 121 (37), pp 20165–20176
DOI: 10.1021/acs.jpcc.7b06846

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The Journal of Physical Chemistry Letters

High-Quality (CH3NH3)3Bi2I9 Film-Based Solar Cells: Pushing Efficiency up to 1.64%
Open Access Through ACS Editors’ Choice
J. Phys. Chem. Lett., 2017, 8 (17), pp 4300–4307
DOI: 10.1021/acs.jpclett.7b01952

(C6H5C2H4NH3)2GeI4: A Layered Two-Dimensional Perovskite with Potential for Photovoltaic Applications
J. Phys. Chem. Lett., 2017, 8 (18), pp 4402–4406
DOI: 10.1021/acs.jpclett.7b01985

Thioamide, a Hydrogen Bond Acceptor in Proteins and Nucleic Acids
J. Phys. Chem. Lett., 2017, 8 (18), pp 4573–4579
DOI: 10.1021/acs.jpclett.7b01810

A Chiral Gas–Hydrate Structure Common to the Carbon Dioxide–Water and Hydrogen–Water Systems
Open Access Through ACS Editors’ Choice
J. Phys. Chem. Lett., 2017, 8 (17), pp 4295–4299
DOI: 10.1021/acs.jpclett.7b01787

Ultrafast Microscopy: Imaging Light with Photoelectrons on the Nano–Femto Scale
J. Phys. Chem. Lett., 2017, 8 (18), pp 4446–4455
DOI: 10.1021/acs.jpclett.7b00904

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Journal of Proteome Research

Evaluation of Parameters for Confident Phosphorylation Site Localization Using an Orbitrap Fusion Tribrid Mass Spectrometer
Open Access Through ACS AuthorChoice
J. Proteome Res., 2017, 16 (9), pp 3448–3459
DOI: 10.1021/acs.jproteome.7b00337

Statistical Models for the Analysis of Isobaric Tags Multiplexed Quantitative Proteomics
J. Proteome Res., 2017, 16 (9), pp 3124–3136
DOI: 10.1021/acs.jproteome.6b01050

Optimizing High-Resolution Mass Spectrometry for the Identification of Low-Abundance Post-Translational Modifications of Intact Proteins
J. Proteome Res., 2017, 16 (9), pp 3255–3265
DOI: 10.1021/acs.jproteome.7b00244

Blood Metabolic Signatures of Body Mass Index: A Targeted Metabolomics Study in the EPIC Cohort
J. Proteome Res., 2017, 16 (9), pp 3137–3146
DOI: 10.1021/acs.jproteome.6b01062

The Impact of Commonly Used Alkylating Agents on Artifactual Peptide Modification
J. Proteome Res., 2017, 16 (9), pp 3443–3447
DOI: 10.1021/acs.jproteome.7b00022

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Molecular Pharmaceutics

Bioavailability of Polyphenols and Flavonoids in the Era of Precision Medicine
This article is part of the Bioavailability of Polyphenols and Flavonoids in the Era of Precision Medicine special issue
Mol. Pharmaceutics, 2017, 14 (9), pp 2861–2863
DOI: 10.1021/acs.molpharmaceut.7b00545

Variability in Mass Spectrometry-based Quantification of Clinically Relevant Drug Transporters and Drug Metabolizing Enzymes
Open Access Through ACS AuthorChoice
Mol. Pharmaceutics, 2017, 14 (9), pp 3142–3151
DOI: 10.1021/acs.molpharmaceut.7b00364

druGAN: An Advanced Generative Adversarial Autoencoder Model for de Novo Generation of New Molecules with Desired Molecular Properties in Silico
Mol. Pharmaceutics, 2017, 14 (9), pp 3098–3104
DOI: 10.1021/acs.molpharmaceut.7b00346

Apoferritin Nanocage for Brain Targeted Doxorubicin Delivery
Mol. Pharmaceutics, 2017, 14 (9), pp 3087–3097
DOI: 10.1021/acs.molpharmaceut.7b00341

Intraperitoneal Delivery of Cisplatin via a Hyaluronan-Based Nanogel/in Situ Cross-Linkable Hydrogel Hybrid System for Peritoneal Dissemination of Gastric Cancer
Mol. Pharmaceutics, 2017, 14 (9), pp 3105–3113
DOI: 10.1021/acs.molpharmaceut.7b00349

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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 (9), pp 1196–1208
DOI: 10.1021/acs.oprd.7b00286

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

Development of a Leuckart–Wallach Reaction in Flow for the Synthesis of Abemaciclib
Open Access Through ACS Editors’ Choice
Org. Process Res. Dev., 2017, 21 (9), pp 1447–1451
DOI: 10.1021/acs.oprd.7b00234

Some Items of Interest to Process R&D Chemists and Engineers
Org. Process Res. Dev., 2017, 21 (9), pp 1187–1195
DOI: 10.1021/acs.oprd.7b00251

Simple and Versatile Laboratory Scale CSTR for Multiphasic Continuous-Flow Chemistry and Long Residence Times
Open Access Through ACS Editors’ Choice
Org. Process Res. Dev., 2017, 21 (9), pp 1294–1301
DOI: 10.1021/acs.oprd.7b00173