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, […]
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%
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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
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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