Most Read Articles of 2016: Applied Chemistry

There are lots of different ways to look at the reach of an article. You can look at citations, Altmetric Attention Scores, awards, and more. One way to consider the influence of an article is just by looking at how many people chose to read it. To that end, we’ve compiled lists of the five most-read chemistry articles that appeared in each ACS Publications journal in 2016, including research, reviews, perspectives and editorial pieces. These lists were not chosen by the journal’s editors and should not be taken as a “best of” list for 2016, but rather as an interesting perspective on where the chemistry community allocated their attention over the past year.

Of course, certain factors such as publishing earlier in the year, being featured in a special issue or being made open access may influence which items appeared on this list. To that end, ACS Axial will be publishing monthly updates on the most read chemistry articles of 2017 all year long. Don’t see your favorite papers on the list? Feel free to share your picks in the comments below.

Read more most-read articles: Analytical | Biological | Materials Science & Engineering | Organic/Inorganic | Physical
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ACS Applied Materials & Interfaces

Coupling Hollow Fe3O4–Fe Nanoparticles with Graphene Sheets for High-Performance Electromagnetic Wave Absorbing Material

ACS Appl. Mater. Interfaces, 2016, 8 (6), pp 3730–3735
DOI: 10.1021/acsami.5b12789

Fabrication and Enhanced Photoelectrochemical Performance of MoS2/S-Doped g-C3N4 Heterojunction Film

ACS Appl. Mater. Interfaces, 2016, 8 (8), pp 5280–5289
DOI: 10.1021/acsami.5b11326

One-Step Synthesis of Water-Soluble MoS2 Quantum Dots via a Hydrothermal Method as a Fluorescent Probe for Hyaluronidase Detection

ACS Appl. Mater. Interfaces, 2016, 8 (18), pp 11272–11279
DOI: 10.1021/acsami.6b01166

Electrochemistry of Carbon Dioxide on Carbon Electrodes

ACS Appl. Mater. Interfaces, 2016, 8 (42), pp 28357–28371
DOI: 10.1021/acsami.5b09825

Cobalt Phosphide Hollow Polyhedron as Efficient Bifunctional Electrocatalysts for the Evolution Reaction of Hydrogen and Oxygen

ACS Appl. Mater. Interfaces, 2016, 8 (3), pp 2158–2165
DOI: 10.1021/acsami.5b10727
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ACS Biomaterials Science & Engineering

Designing Biomaterials for 3D Printing
This article is part of the 3D Bioprinting special issue.

ACS Biomater. Sci. Eng., 2016, 2 (10), pp 1679–1693
DOI: 10.1021/acsbiomaterials.6b00121

3D Printing PDMS Elastomer in a Hydrophilic Support Bath via Freeform Reversible Embedding
This article is part of the 3D Bioprinting special issue.
Open Access Through ACS AuthorChoice

ACS Biomater. Sci. Eng., 2016, 2 (10), pp 1781–1786
DOI: 10.1021/acsbiomaterials.6b00170

Liquid-like Solids Support Cells in 3D
This article is part of the 3D Bioprinting special issue.
Open Access Through ACS Editors’ Choice

ACS Biomater. Sci. Eng., 2016, 2 (10), pp 1787–1795
DOI: 10.1021/acsbiomaterials.6b00218

Critical Length of PEG Grafts on lPEI/DNA Nanoparticles for Efficient in Vivo Delivery
Open Access Through ACS Editors’ Choice

ACS Biomater. Sci. Eng., 2016, 2 (4), pp 567–578
DOI: 10.1021/acsbiomaterials.5b00551

Polymeric Biomaterials for Medical Implants and Devices

ACS Biomater. Sci. Eng., 2016, 2 (4), pp 454–472
DOI: 10.1021/acsbiomaterials.5b00429
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ACS Combinatorial Science

CuAAC: An Efficient Click Chemistry Reaction on Solid Phase

ACS Comb. Sci., 2016, 18 (1), pp 1–14
DOI: 10.1021/acscombsci.5b00087

Discovery of a Direct Ras Inhibitor by Screening a Combinatorial Library of Cell-Permeable Bicyclic Peptides
Open Access Through ACS Editors’ Choice

ACS Comb. Sci., 2016, 18 (1), pp 75–85
DOI: 10.1021/acscombsci.5b00164

Rapid Discovery of Functional Small Molecule Ligands against Proteomic Targets through Library-Against-Library Screening
Open Access Through ACS Editors’ Choice

ACS Comb. Sci., 2016, 18 (6), pp 320–329
DOI: 10.1021/acscombsci.5b00194

Direct Phenotypic Screening in Mice: Identification of Individual, Novel Antinociceptive Compounds from a Library of 734 821 Pyrrolidine Bis-piperazines
Open Access Through ACS Editors’ Choice

ACS Comb. Sci., 2016, 18 (1), pp 51–64
DOI: 10.1021/acscombsci.5b00126

Simulated Screens of DNA Encoded Libraries: The Potential Influence of Chemical Synthesis Fidelity on Interpretation of Structure–Activity Relationships

ACS Comb. Sci., 2016, 18 (7), pp 415–424
DOI: 10.1021/acscombsci.6b00001

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ACS Energy Letters

100k Cycles and Beyond: Extraordinary Cycle Stability for MnO2 Nanowires Imparted by a Gel Electrolyte

ACS Energy Lett., 2016, 1 (1), pp 57–63
DOI: 10.1021/acsenergylett.6b00029

Perovskite Solar Cells Shine in the “Valley of the Sun”

ACS Energy Lett., 2016, 1 (1), pp 64–67
DOI: 10.1021/acsenergylett.6b00069

Formamidinium Lead Halide Perovskite Crystals with Unprecedented Long Carrier Dynamics and Diffusion Length

ACS Energy Lett., 2016, 1 (1), pp 32–37
DOI: 10.1021/acsenergylett.6b00002

Toward Lead-Free Perovskite Solar Cells
Open Access Through ACS Editors’ Choice

ACS Energy Lett., 2016, 1 (6), pp 1233–1240
DOI: 10.1021/acsenergylett.6b00499

High-Energy-Density Lithium–Sulfur Batteries Based on Blade-Cast Pure Sulfur Electrodes

ACS Energy Lett., 2016, 1 (1), pp 46–51
DOI: 10.1021/acsenergylett.6b0003333
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ACS Infectious Diseases

Zika Virus: Diagnosis, Therapeutics, and Vaccine
Open Access Through ACS Editors’ Choice
ACS Infect. Dis., 2016, 2 (3), pp 170–172
DOI: 10.1021/acsinfecdis.6b00030

Zika Virus Genomic RNA Possesses Conserved G-Quadruplexes Characteristic of the Flaviviridae Family
Open Access Through ACS Editors’ Choice

ACS Infect. Dis., 2016, 2 (10), pp 674–681
DOI: 10.1021/acsinfecdis.6b00109

Dipeptide-Based Metabolic Labeling of Bacterial Cells for Endogenous Antibody Recruitment
Open Access Through ACS Editors’ Choice

ACS Infect. Dis., 2016, 2 (4), pp 302–309
DOI: 10.1021/acsinfecdis.6b00007

A Small-Molecule Screening Platform for the Discovery of Inhibitors of Undecaprenyl Diphosphate Synthase
Open Access Through ACS Editors’ Choice

ACS Infect. Dis., 2016, 2 (7), pp 489–499
DOI: 10.1021/acsinfecdis.6b00044

De Novo Sequencing and Resurrection of a Human Astrovirus-Neutralizing Antibody
Open Access Through ACS Editors’ Choice

ACS Infect. Dis., 2016, 2 (5), pp 313–321
DOI: 10.1021/acsinfecdis.6b00026

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ACS Medicinal Chemistry Letters

Discovery of Clinical Development Candidate GDC-0084, a Brain Penetrant Inhibitor of PI3K and mTOR
Open Access Through ACS Editors’ Choice

ACS Med. Chem. Lett., 2016, 7 (4), pp 351–356
DOI: 10.1021/acsmedchemlett.6b00005

Hope and Disappointment: Covalent Inhibitors to Overcome Drug Resistance in Non-Small Cell Lung Cancer

ACS Med. Chem. Lett., 2016, 7 (1), pp 2–5
DOI: 10.1021/acsmedchemlett.5b00475

Optimization of Tubulysin Antibody–Drug Conjugates: A Case Study in Addressing ADC Metabolism
Open Access Through ACS Editors’ Choice

ACS Med. Chem. Lett., 2016, 7 (11), pp 977–982
DOI: 10.1021/acsmedchemlett.6b00195

High Drug Prices Hurt Everyone

ACS Med. Chem. Lett., 2016, 7 (6), pp 544–546
DOI: 10.1021/acsmedchemlett.6b00139

GSK6853, a Chemical Probe for Inhibition of the BRPF1 Bromodomain
Open Access Through ACS Editors’ Choice

ACS Med. Chem. Lett., 2016, 7 (6), pp 552–557
DOI: 10.1021/acsmedchemlett.6b00092
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ACS Sensors

Biosensors Based on Two-Dimensional MoS2

ACS Sens., 2016, 1 (1), pp 5–16
DOI: 10.1021/acssensors.5b00142

Aptamer-Modified Graphene-Based Catalytic Micromotors: Off–On Fluorescent Detection of Ricin
(Open Access Through ACS Editors’ Choice)

ACS Sens., 2016, 1 (3), pp 217–221
DOI: 10.1021/acssensors.5b00300

Wearable Microsensor Array for Multiplexed Heavy Metal Monitoring of Body Fluids
(Open Access Through ACS Editors’ Choice)

ACS Sens., 2016, 1 (7), pp 866–874
DOI: 10.1021/acssensors.6b00287

Noninvasive Alcohol Monitoring Using a Wearable Tattoo-Based Iontophoretic-Biosensing System

ACS Sens., 2016, 1 (8), pp 1011–1019
DOI: 10.1021/acssensors.6b00356

Wearable Chemical Sensors: Present Challenges and Future Prospects

ACS Sens., 2016, 1 (5), pp 464–482
DOI: 10.1021/acssensors.6b00250

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ACS Sustainable Chemistry & Engineering

Spent Coffee Bioelastomeric Composite Foams for the Removal of Pb2+ and Hg2+ from Water

ACS Sustainable Chem. Eng., 2016, 4 (10), pp 5495–5502
DOI: 10.1021/acssuschemeng.6b01098

Total Utilization of Miscanthus Biomass, Lignin and Carbohydrates, Using Earth Abundant Nickel Catalyst
(Open Access Through ACS Editors’ Choice)

ACS Sustainable Chem. Eng., 2016, 4 (4), pp 2316–2322
DOI: 10.1021/acssuschemeng.5b01776

Base-Catalyzed Depolymerization of Biorefinery Lignins
(Open Access Through ACS Editors’ Choice)

ACS Sustainable Chem. Eng., 2016, 4 (3), pp 1474–1486
DOI: 10.1021/acssuschemeng.5b01451

Transformation of Chitin and Waste Shrimp Shells into Acetic Acid and Pyrrole
(Open Access Through ACS Editors’ Choice)

ACS Sustainable Chem. Eng., 2016, 4 (7), pp 3912–3920
DOI: 10.1021/acssuschemeng.6b00767

Depolymerization of Cellulose in Water Catalyzed by Phenylboronic Acid Derivatives
(Open Access Through ACS Editors’ Choice)

ACS Sustainable Chem. Eng., 2016, 4 (10), pp 5799–5803
DOI: 10.1021/acssuschemeng.6b01071
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ACS Synthetic Biology

Synthetic RNA Polymerase III Promoters Facilitate High-Efficiency CRISPR–Cas9-Mediated Genome Editing in Yarrowia lipolytica
Open Access Through ACS AuthorChoice

ACS Synth. Biol., 2016, 5 (4), pp 356–359
DOI: 10.1021/acssynbio.5b00162

Corynebacterium glutamicum Metabolic Engineering with CRISPR Interference (CRISPRi)
Open Access Through ACS AuthorChoice

ACS Synth. Biol., 2016, 5 (5), pp 375–385
DOI: 10.1021/acssynbio.5b00216

Rapid and Efficient One-Step Metabolic Pathway Integration in E. coli

ACS Synth. Biol., 2016, 5 (7), pp 561–568
DOI: 10.1021/acssynbio.5b00187

Cell–Cell Communication in Yeast Using Auxin Biosynthesis and Auxin Responsive CRISPR Transcription Factors

ACS Synth. Biol., 2016, 5 (4), pp 279–286
DOI: 10.1021/acssynbio.5b00064

Multiple Gene Repression in Cyanobacteria Using CRISPRi

ACS Synth. Biol., 2016, 5 (3), pp 207–212
DOI: 10.1021/acssynbio.5b00264

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Analytical Chemistry

Instrument-Free Point-of-Care Molecular Detection of Zika Virus
(Open Access Through ACS Editors’ Choice)

Anal. Chem., 2016, 88 (14), pp 7289–7294
DOI: 10.1021/acs.analchem.6b01632

Hard Cap Espresso Machines in Analytical Chemistry: What Else?
Open Access Through ACS AuthorChoice

Anal. Chem., 2016, 88 (12), pp 6570–6576
DOI: 10.1021/acs.analchem.6b01400

Fluorescence, Phosphorescence, and Chemiluminescence
This article is part of the Fundamental and Applied Reviews in Analytical Chemistry 2016 special issue.

Anal. Chem., 2016, 88 (1), pp 170–202
DOI: 10.1021/acs.analchem.5b04109

Toward Merging Untargeted and Targeted Methods in Mass Spectrometry-Based Metabolomics and Lipidomics
This article is part of the Fundamental and Applied Reviews in Analytical Chemistry 2016 special issue.

Anal. Chem., 2016, 88 (1), pp 524–545
DOI: 10.1021/acs.analchem.5b04491

Lab-on-a-Drone: Toward Pinpoint Deployment of Smartphone-Enabled Nucleic Acid-Based Diagnostics for Mobile Health Care
Open Access Through ACS Editors’ Choice

Anal. Chem., 2016, 88 (9), pp 4651–4660
DOI: 10.1021/acs.analchem.5b04153

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Chemical Research in Toxicology

Chemical Composition of Aerosol from an E-Cigarette: A Quantitative Comparison with Cigarette Smoke
Open Access Through ACS AuthorChoice

Chem. Res. Toxicol., 2016, 29 (10), pp 1662–1678
DOI: 10.1021/acs.chemrestox.6b00188

Computational Models for Human and Animal Hepatotoxicity with a Global Application Scope
Open Access Through ACS Editors’ Choice

Chem. Res. Toxicol., 2016, 29 (5), pp 757–767
DOI: 10.1021/acs.chemrestox.5b00465

Improving Drug Design: An Update on Recent Applications of Efficiency Metrics, Strategies for Replacing Problematic Elements, and Compounds in Nontraditional Drug Space
This article is part of the Toxicology Strategies for Drug Discovery – Present and Future special issue.

Chem. Res. Toxicol., 2016, 29 (4), pp 564–616
DOI: 10.1021/acs.chemrestox.6b00043

Hop (Humulus lupulus L.) Extract and 6-Prenylnaringenin Induce P450 1A1 Catalyzed Estrogen 2-Hydroxylation
Open Access Through ACS Editors’ Choice

Chem. Res. Toxicol., 2016, 29 (7), pp 1142–1150
DOI: 10.1021/acs.chemrestox.6b00112

Metabolic Fate of Hallucinogenic NBOMes
Open Access Through ACS AuthorChoice

Chem. Res. Toxicol., 2016, 29 (1), pp 96–100
DOI: 10.1021/acs.chemrestox.5b00450

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Crystal Growth & Design

Solvates, Salts, and Cocrystals: A Proposal for a Feasible Classification System
Open Access Through ACS Editors’ Choice

Cryst. Growth Des., 2016, 16 (6), pp 3237–3243
DOI: 10.1021/acs.cgd.6b00200

It Isn’t, It Is: The C–H···X (X = O, N, F, Cl) Interaction Really Is Significant in Crystal Packing
Open Access Through ACS Editors’ Choice

Cryst. Growth Des., 2016, 16 (8), pp 4165–4168
DOI: 10.1021/acs.cgd.6b00736

How Surfactants Control Crystal Growth of Nanomaterials

Cryst. Growth Des., 2016, 16 (2), pp 1104–1133
DOI: 10.1021/acs.cgd.5b01465

Ion-Directed Synthesis of Indium-Derived 2,5-Thiophenedicarboxylate Metal–Organic Frameworks: Tuning Framework Dimensionality
Open Access Through ACS Editors’ Choice

Cryst. Growth Des., 2016, 16 (3), pp 1550–1558
DOI: 10.1021/acs.cgd.5b01680

Molecular Interactions in Crystal Structures with Z′ > 1
Open Access Through ACS Editors’ Choice

Cryst. Growth Des., 2016, 16 (5), pp 2988–3001
DOI: 10.1021/acs.cgd.6b00355

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Energy & Fuels

Role of Asphaltenes and Additives on the Viscosity and Microscopic Structure of Heavy Crude Oils
This article is part of the 16th International Conference on Petroleum Phase Behavior and Fouling special issue.

Energy Fuels, 2016, 30 (5), pp 3644–3651
DOI: 10.1021/acs.energyfuels.5b02103

Pyrolysis Oil Multiphase Behavior and Phase Stability: A Review

Energy Fuels, 2016, 30 (8), pp 6179–6200
DOI: 10.1021/acs.energyfuels.6b01287

CO2 Reaction Mechanisms with Hindered Alkanolamines: Control and Promotion of Reaction Pathways

Energy Fuels, 2016, 30 (2), pp 1223–1236
DOI: 10.1021/acs.energyfuels.5b02582

Review of NMR Characterization of Pyrolysis Oils

Energy Fuels, 2016, 30 (9), pp 6863–6880
DOI: 10.1021/acs.energyfuels.6b01002

Proton Conducting Nafion-Sulfonated Graphene Hybrid Membranes for Direct Methanol Fuel Cells with Reduced Methanol Crossover

Energy Fuels, 2016, 30 (1), pp 725–734
DOI: 10.1021/acs.energyfuels.5b02194
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Environmental Science & Technology

Emissions of Ultrafine Particles and Volatile Organic Compounds from Commercially Available Desktop Three-Dimensional Printers with Multiple Filaments
Open Access Through ACS AuthorChoice

Environ. Sci. Technol., 2016, 50 (3), pp 1260–1268
DOI: 10.1021/acs.est.5b04983

Plastic Debris Is a Human Health Issue
Environ. Sci. Technol., 2016, 50 (13), pp 6825–6826
DOI: 10.1021/acs.est.6b02569

Regional Effects of Agricultural Conservation Practices on Nutrient Transport in the Upper Mississippi River Basin
Open Access Through ACS AuthorChoice

Environ. Sci. Technol., 2016, 50 (13), pp 6991–7000
DOI: 10.1021/acs.est.5b03543

Personal Vehicles Evaluated against Climate Change Mitigation Targets
Open Access Through ACS AuthorChoice

Environ. Sci. Technol., 2016, 50 (20), pp 10795–10804
DOI: 10.1021/acs.est.6b00177

Progressive Increase in Disinfection Byproducts and Mutagenicity from Source to Tap to Swimming Pool and Spa Water: Impact of Human Inputs

Environ. Sci. Technol., 2016, 50 (13), pp 6652–6662
DOI: 10.1021/acs.est.6b00808

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Environmental Science & Technology Letters

Detection of Poly- and Perfluoroalkyl Substances (PFASs) in U.S. Drinking Water Linked to Industrial Sites, Military Fire Training Areas, and Wastewater Treatment Plants
Open Access Through ACS Editors’ Choice

Environ. Sci. Technol. Lett., 2016, 3 (10), pp 344–350
DOI: 10.1021/acs.estlett.6b00260

Toward Microcapsule-Embedded Self-Healing Membranes
Open Access Through ACS Editors’ Choice

Environ. Sci. Technol. Lett., 2016, 3 (5), pp 216–221
DOI: 10.1021/acs.estlett.6b00046

Origin of Hexavalent Chromium in Drinking Water Wells from the Piedmont Aquifers of North Carolina
Open Access Through ACS Editors’ Choice

Environ. Sci. Technol. Lett., 2016, 3 (12), pp 409–414
DOI: 10.1021/acs.estlett.6b00342

Metformin and Other Pharmaceuticals Widespread in Wadeable Streams of the Southeastern United States
Open Access Through ACS AuthorChoice

Environ. Sci. Technol. Lett., 2016, 3 (6), pp 243–249
DOI: 10.1021/acs.estlett.6b00170

The Critical Need for Increased Selectivity, Not Increased Water Permeability, for Desalination Membranes
Open Access Through ACS AuthorChoice

Environ. Sci. Technol. Lett., 2016, 3 (4), pp 112–120
DOI: 10.1021/acs.estlett.6b00050

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Industrial & Engineering Chemistry Research

Toward the Development and Deployment of Large-Scale Carbon Dioxide Capture and Conversion Processes
Open Access Through ACS Editors’ Choice

Ind. Eng. Chem. Res., 2016, 55 (12), pp 3383–3419
DOI: 10.1021/acs.iecr.5b03277

Modeling and Dynamic Optimization of Microalgae Cultivation in Outdoor Open Ponds
Open Access Through ACS Editors’ Choice

Ind. Eng. Chem. Res., 2016, 55 (12), pp 3327–3337
DOI: 10.1021/acs.iecr.5b03209

Limitations of Breakthrough Curve Analysis in Fixed-Bed Adsorption
Open Access Through ACS Editors’ Choice

Ind. Eng. Chem. Res., 2016, 55 (16), pp 4734–4748
DOI: 10.1021/acs.iecr.6b00516

Solvent-Based Exfoliation via Sonication of Graphitic Materials for Graphene Manufacture

Ind. Eng. Chem. Res., 2016, 55 (4), pp 845–855
DOI: 10.1021/acs.iecr.5b03502

Recent Advancement of Coagulation–Flocculation and Its Application in Wastewater Treatment

Ind. Eng. Chem. Res., 2016, 55 (16), pp 4363–4389
DOI: 10.1021/acs.iecr.5b04703

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Journal of Agricultural and Food Chemistry

Determination of Glyphosate Levels in Breast Milk Samples from Germany by LC-MS/MS and GC-MS/MS
Open Access Through ACS AuthorChoice

J. Agric. Food Chem., 2016, 64 (6), pp 1414–1421
DOI: 10.1021/acs.jafc.5b05852

Antioxidant Mechanism of Betaine without Free Radical Scavenging Ability
Open Access Through ACS AuthorChoice

J. Agric. Food Chem., 2016, 64 (42), pp 7921–7930
DOI: 10.1021/acs.jafc.6b03592

Nanoencapsulation, Nano-guard for Pesticides: A New Window for Safe Application

J. Agric. Food Chem., 2016, 64 (7), pp 1447–1483
DOI: 10.1021/acs.jafc.5b05214

Sulfoglucosides as Novel Modified Forms of the Mycotoxins Alternariol and Alternariol Monomethyl Ether
Open Access Through ACS AuthorChoice

J. Agric. Food Chem., 2016, 64 (46), pp 8892–8901
DOI: 10.1021/acs.jafc.6b03120

Global Adoption of Genetically Modified (GM) Crops: Challenges for the Public Sector

J. Agric. Food Chem., 2016, 64 (2), pp 394–402
DOI: 10.1021/acs.jafc.5b05116

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Journal of Chemical & Engineering Data

Investigation of Binary Mixtures Containing 1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)azanide and Ethylene Carbonate
Open Access Through ACS Editors’ Choice

J. Chem. Eng. Data, 2016, 61 (1), pp 114–123
DOI: 10.1021/acs.jced.5b00338

Target Synthesis of an Azo (N═N) Based Covalent Organic Framework with High CO2-over-N2 Selectivity and Benign Gas Storage Capability

J. Chem. Eng. Data, 2016, 61 (5), pp 1904–1909
DOI: 10.1021/acs.jced.6b00071

Comparison of Ionic Liquids to Conventional Organic Solvents for Extraction of Aromatics from Aliphatics

J. Chem. Eng. Data, 2016, 61 (5), pp 1685–1699
DOI: 10.1021/acs.jced.6b00077

Density, Viscosity, and Refractive Index of Ionic Liquid Mixtures Containing Cyano and Amino Acid-Based Anions

J. Chem. Eng. Data, 2016, 61 (1), pp 83–93
DOI: 10.1021/acs.jced.5b00242

Adsorption Equilibria of Water Vapor on Zeolite 3A, Zeolite 13X, and Dealuminated Y Zeolite

J. Chem. Eng. Data, 2016, 61 (4), pp 1547–1554
DOI: 10.1021/acs.jced.5b00927

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Journal of Chemical Education

Strategies of Successful Synthesis Solutions: Mapping, Mechanisms, and More
Open Access Through ACS Editors’ Choice

J. Chem. Educ., 2016, 93 (4), pp 593–604
DOI: 10.1021/acs.jchemed.5b00900

Investigating Students’ Reasoning about Acid–Base Reactions
Open Access Through ACS AuthorChoice

J. Chem. Educ., 2016, 93 (10), pp 1703–1712
DOI: 10.1021/acs.jchemed.6b00417

Deducing Reaction Mechanism: A Guide for Students, Researchers, and Instructors

J. Chem. Educ., 2016, 93 (2), pp 275–286
DOI: 10.1021/acs.jchemed.5b00160

Building a Microcontroller Based Potentiostat: A Inexpensive and Versatile Platform for Teaching Electrochemistry and Instrumentation

J. Chem. Educ., 2016, 93 (7), pp 1320–1322
DOI: 10.1021/acs.jchemed.5b00961

RCSB Protein Data Bank: A Resource for Chemical, Biochemical, and Structural Explorations of Large and Small Biomolecules
This article is part of the Chemical Information special issue.

J. Chem. Educ., 2016, 93 (3), pp 569–575
DOI: 10.1021/acs.jchemed.5b00404

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Journal of Chemical Information and Modeling

The Proximal Lilly Collection: Mapping, Exploring and Exploiting Feasible Chemical Space
Open Access Through ACS Editors’ Choice


J. Chem. Inf. Model., 2016, 56 (7), pp 1253–1266
DOI: 10.1021/acs.jcim.6b00173

Experimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening Samples
Open Access Through ACS Editors’ Choice


J. Chem. Inf. Model., 2016, 56 (11), pp 2149–2161
DOI: 10.1021/acs.jcim.6b00338

Ultra-High-Throughput Structure-Based Virtual Screening for Small-Molecule Inhibitors of Protein–Protein Interactions

J. Chem. Inf. Model., 2016, 56 (2), pp 399–411
DOI: 10.1021/acs.jcim.5b00572

Understanding the Roles of the “Two QSARs”


J. Chem. Inf. Model., 2016, 56 (2), pp 269–274
DOI: 10.1021/acs.jcim.5b00229

Blind Pose Prediction, Scoring, and Affinity Ranking of the CSAR 2014 Dataset
Open Access Through ACS AuthorChoice

This article is part of the Community Structure Activity Resource (CSAR) special issue.


J. Chem. Inf. Model., 2016, 56 (6), pp 996–1003
DOI: 10.1021/acs.jcim.5b00337
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Journal of Chemical Theory and Computation

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
Open Access Through ACS AuthorChoice


J. Chem. Theory Comput., 2016, 12 (1), pp 405–413
DOI: 10.1021/acs.jctc.5b00935

Demonstrating an Order-of-Magnitude Sampling Enhancement in Molecular Dynamics Simulations of Complex Protein Systems

J. Chem. Theory Comput., 2016, 12 (3), pp 1360–1367
DOI: 10.1021/acs.jctc.5b00913

A Practical Guide to Density Matrix Embedding Theory in Quantum Chemistry
Open Access Through ACS Editors’ Choice


J. Chem. Theory Comput., 2016, 12 (6), pp 2706–2719
DOI: 10.1021/acs.jctc.6b00316

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

J. Chem. Theory Comput., 2016, 12 (1), pp 281–296
DOI: 10.1021/acs.jctc.5b00864

Black-Box Description of Electron Correlation with the Spin-Extended Configuration Interaction Model: Implementation and Assessment

J. Chem. Theory Comput., 2016, 12 (4), pp 1741–1759
DOI: 10.1021/acs.jctc.6b00137

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Journal of Medicinal Chemistry

Novel Cephalosporins Selectively Active on Nonreplicating Mycobacterium tuberculosis
Open Access Through ACS Editors’ Choice


J. Med. Chem., 2016, 59 (13), pp 6027–6044
DOI: 10.1021/acs.jmedchem.5b01833

Analysis of Past and Present Synthetic Methodologies on Medicinal Chemistry: Where Have All the New Reactions Gone?
Open Access Through ACS AuthorChoice


J. Med. Chem., 2016, 59 (10), pp 4443–4458
DOI: 10.1021/acs.jmedchem.5b01409

AXL Inhibitors in Cancer: A Medicinal Chemistry Perspective


Open Access Through ACS AuthorChoice
J. Med. Chem., 2016, 59 (8), pp 3593–3608
DOI: 10.1021/acs.jmedchem.5b01273

The Medicinal Chemistry of Dengue Virus
Open Access Through ACS Editors’ Choice


J. Med. Chem., 2016, 59 (12), pp 5622–5649
DOI: 10.1021/acs.jmedchem.5b01653

A Real-World Perspective on Molecular Design
This article is part of the Computational Methods for Medicinal Chemistry special issue.


J. Med. Chem., 2016, 59 (9), pp 4087–4102
DOI: 10.1021/acs.jmedchem.5b01875

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The Journal of Physical Chemistry A

New Approach for Investigating Reaction Dynamics and Rates with Ab Initio Calculations
Open Access Through ACS Editors’ Choice


J. Phys. Chem. A, 2016, 120 (2), pp 299–305
DOI: 10.1021/acs.jpca.5b10667

How to Compute Electron Ionization Mass Spectra from First Principles
Open Access Through ACS Editors’ Choice


J. Phys. Chem. A, 2016, 120 (21), pp 3755–3766
DOI: 10.1021/acs.jpca.6b02907

Aqueous Photochemistry of Glyoxylic Acid
Open Access Through ACS AuthorChoice


J. Phys. Chem. A, 2016, 120 (21), pp 3817–3826
DOI: 10.1021/acs.jpca.6b00225

Semiempirical Modeling of Ag Nanoclusters: New Parameters for Optical Property Studies Enable Determination of Double Excitation Contributions to Plasmonic Excitation
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J. Phys. Chem. A, 2016, 120 (26), pp 4542–4549
DOI: 10.1021/acs.jpca.6b04520

Rotational Spectrum and Structure of the 1,1-Difluoroethylene···Carbon Dioxide Complex
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J. Phys. Chem. A, 2016, 120 (2), pp 247–253
DOI: 10.1021/acs.jpca.5b11345
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The Journal of Physical Chemistry B

Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics
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J. Phys. Chem. B, 2016, 120 (16), pp 3785–3796
DOI: 10.1021/acs.jpcb.6b01012

Statistical Analyses of Hydrophobic Interactions: A Mini-Review
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J. Phys. Chem. B, 2016, 120 (27), pp 6455–6460
DOI: 10.1021/acs.jpcb.6b04082

Exploring the Dependence of QM/MM Calculations of Enzyme Catalysis on the Size of the QM Region
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J. Phys. Chem. B, 2016, 120 (37), pp 9913–9921
DOI: 10.1021/acs.jpcb.6b07203

How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase
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J. Phys. Chem. B, 2016, 120 (44), pp 11381–11394
DOI: 10.1021/acs.jpcb.6b07814

Advanced Potential Energy Surfaces for Molecular Simulation

J. Phys. Chem. B, 2016, 120 (37), pp 9811–9832
DOI: 10.1021/acs.jpcb.6b06414
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The Journal of Physical Chemistry C

Recent Progress in Cancer Thermal Therapy Using Gold Nanoparticles


J. Phys. Chem. C, 2016, 120 (9), pp 4691–4716
DOI: 10.1021/acs.jpcc.5b11232

Flexible Graphene-Based Supercapacitors: A Review


J. Phys. Chem. C, 2016, 120 (8), pp 4153–4172
DOI: 10.1021/acs.jpcc.5b10187

Introducing Cu2O Thin Films as a Hole-Transport Layer in Efficient Planar Perovskite Solar Cell Structures
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J. Phys. Chem. C, 2016, 120 (3), pp 1428–1437
DOI: 10.1021/acs.jpcc.5b11540

Potential Application of Metal Dichalcogenides Double-Layered Heterostructures as Anode Materials for Li-Ion Batteries
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J. Phys. Chem. C, 2016, 120 (9), pp 4779–4788
DOI: 10.1021/acs.jpcc.5b11677

Understanding Particle-Size-Dependent Electrochemical Properties of Li2MnO3-Based Positive Electrode Materials for Rechargeable Lithium Batteries
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J. Phys. Chem. C, 2016, 120 (2), pp 875–885
DOI: 10.1021/acs.jpcc.5b10517
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The Journal of Physical Chemistry Letters

Cesium Lead Halide Perovskites with Improved Stability for Tandem Solar Cells

J. Phys. Chem. Lett., 2016, 7 (5), pp 746–751
DOI: 10.1021/acs.jpclett.6b00002

Surface- and Tip-Enhanced Raman Spectroscopy in Catalysis
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J. Phys. Chem. Lett., 2016, 7 (8), pp 1570–1584
DOI: 10.1021/acs.jpclett.6b00147

Efficient Monolithic Perovskite/Silicon Tandem Solar Cell with Cell Area >1 cm2

J. Phys. Chem. Lett., 2016, 7 (1), pp 161–166
DOI: 10.1021/acs.jpclett.5b02686

Origin of J–V Hysteresis in Perovskite Solar Cells

J. Phys. Chem. Lett., 2016, 7 (5), pp 905–917
DOI: 10.1021/acs.jpclett.6b00215

Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals

J. Phys. Chem. Lett., 2016, 7 (7), pp 1254–1259
DOI: 10.1021/acs.jpclett.6b00376
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Journal of Proteome Research

Proteomics Quality Control: Quality Control Software for MaxQuant Results
This article is part of the Large-Scale Computational Mass Spectrometry and Multi-Omics special issue.
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J. Proteome Res., 2016, 15 (3), pp 777–787
DOI: 10.1021/acs.jproteome.5b00780

Unbiased Metabolomic Investigation of Alzheimer’s Disease Brain Points to Dysregulation of Mitochondrial Aspartate Metabolism
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J. Proteome Res., 2016, 15 (2), pp 608–618
DOI: 10.1021/acs.jproteome.5b01020

A Proteomics Approach to the Protein Normalization Problem: Selection of Unvarying Proteins for MS-Based Proteomics and Western Blotting
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J. Proteome Res., 2016, 15 (7), pp 2321–2326
DOI: 10.1021/acs.jproteome.6b00403

Accounting for the Multiple Natures of Missing Values in Label-Free Quantitative Proteomics Data Sets to Compare Imputation Strategies
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J. Proteome Res., 2016, 15 (4), pp 1116–1125
DOI: 10.1021/acs.jproteome.5b00981

moCluster: Identifying Joint Patterns Across Multiple Omics Data Sets
This article is part of the Large-Scale Computational Mass Spectrometry and Multi-Omics special issue.
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J. Proteome Res., 2016, 15 (3), pp 755–765
DOI: 10.1021/acs.jproteome.5b00824
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Molecular Pharmaceutics

Deep Learning Applications for Predicting Pharmacological Properties of Drugs and Drug Repurposing Using Transcriptomic Data
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Mol. Pharmaceutics, 2016, 13 (7), pp 2524–2530
DOI: 10.1021/acs.molpharmaceut.6b00248

Applications of Deep Learning in Biomedicine

Mol. Pharmaceutics, 2016, 13 (5), pp 1445–1454
DOI: 10.1021/acs.molpharmaceut.5b00982

In Vitro and in Vivo Characterization of MOD-4023, a Long-Acting Carboxy-Terminal Peptide (CTP)-Modified Human Growth Hormone
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Mol. Pharmaceutics, 2016, 13 (2), pp 631–639
DOI: 10.1021/acs.molpharmaceut.5b00868

Light Control of Insulin Release and Blood Glucose Using an Injectable Photoactivated Depot
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Mol. Pharmaceutics, 2016, 13 (11), pp 3835–3841
DOI: 10.1021/acs.molpharmaceut.6b00633

Molecular Imaging of Pancreatic Cancer with Antibodies
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Mol. Pharmaceutics, 2016, 13 (1), pp 8–24
DOI: 10.1021/acs.molpharmaceut.5b00626

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Organic Process Research & Development

NMR Chemical Shifts of Trace Impurities: Industrially Preferred Solvents Used in Process and Green Chemistry
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Org. Process Res. Dev., 2016, 20 (3), pp 661–667
DOI: 10.1021/acs.oprd.5b00417

Large-Scale Applications of Amide Coupling Reagents for the Synthesis of Pharmaceuticals

Org. Process Res. Dev., 2016, 20 (2), pp 140–177
DOI: 10.1021/op500305s

Vacuum Desiccator as a Simple, Robust, and Inexpensive NMR Tube Cleaner

Org. Process Res. Dev., 2016, 20 (2), pp 319–319
DOI: 10.1021/acs.oprd.6b00001

Flow Chemistry: Recent Developments in the Synthesis of Pharmaceutical Products
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Org. Process Res. Dev., 2016, 20 (1), pp 2–25
DOI: 10.1021/acs.oprd.5b00325

Toward a More Holistic Framework for Solvent Selection
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Org. Process Res. Dev., 2016, 20 (4), pp 760–773
DOI: 10.1021/acs.oprd.6b00015
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