Discover the Most-Read Applied Chemistry Articles of Feb. 2017

What were chemists reading in February of 2017? To find out, we’ve compiled lists of the five most-read applied chemistry articles that appeared in each a chemistry ACS Publications journal in February 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.
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ACS Applied Materials & Interfaces

Ruthenium(II) Complex Incorporated UiO-67 Metal–Organic Framework Nanoparticles for Enhanced Two-Photon Fluorescence Imaging and Photodynamic Cancer Therapy
ACS Appl. Mater. Interfaces, 2017, 9 (7), pp 5699–5708
DOI: 10.1021/acsami.6b12469

Janus Membranes with Opposing Surface Wettability Enabling Oil-to-Water and Water-to-Oil Emulsification
ACS Appl. Mater. Interfaces, 2017, 9 (6), pp 5062–5066
DOI: 10.1021/acsami.7b00017

Preparation of NiCoP Hollow Quasi-Polyhedra and Their Electrocatalytic Properties for Hydrogen Evolution in Alkaline Solution
ACS Appl. Mater. Interfaces, 2017, 9 (7), pp 5982–5991
DOI: 10.1021/acsami.6b14127

Biodegradable Neuro-Compatible Peptide Hydrogel Promotes Neurite Outgrowth, Shows Significant Neuroprotection, and Delivers Anti-Alzheimer Drug
ACS Appl. Mater. Interfaces, 2017, 9 (6), pp 5067–5076
DOI: 10.1021/acsami.6b12114

Continuous Flow Processing of ZIF-8 Membranes on Polymeric Porous Hollow Fiber Supports for CO2 Capture
ACS Appl. Mater. Interfaces, 2017, 9 (7), pp 5678–5682
DOI: 10.1021/acsami.6b16297

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ACS Biomaterials Science & Engineering

Editorial: Special Issue on Biomaterials for Immunoengineering
ACS Biomater. Sci. Eng., 2017, 3 (2), pp 106–107
DOI: 10.1021/acsbiomaterials.7b00049

Polymers for DNA Vaccine Delivery
ACS Biomater. Sci. Eng., 2017, 3 (2), pp 108–125
DOI: 10.1021/acsbiomaterials.6b00418

In Vivo Expansion of Melanoma-Specific T Cells Using Microneedle Arrays Coated with Immune-Polyelectrolyte Multilayers
ACS Biomater. Sci. Eng., 2017, 3 (2), pp 195–205
DOI: 10.1021/acsbiomaterials.6b00414

Surface Coating of Nanoparticles Reduces Background Inflammatory Activity while Increasing Particle Uptake and Delivery
ACS Biomater. Sci. Eng., 2017, 3 (2), pp 206–213
DOI: 10.1021/acsbiomaterials.6b00473

Biomaterials-Based Vaccination Strategies for the Induction of CD8+T Cell Responses
This article is part of the Biomaterials for Immunoengineering special issue.
ACS Biomater. Sci. Eng., 2017, 3 (2), pp 126–143
DOI: 10.1021/acsbiomaterials.6b00412

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ACS Combinatorial Science

Synthesis of Novel 5,6-Disubstituted Pyrrolo [2,3-d]Pyrimidine-2,4-Diones Via One-Pot Three-Component Reactions
ACS Comb. Sci., 2017, 19 (2), pp 108–112
DOI: 10.1021/acscombsci.6b00147

Rationally Designed Peptides and Peptidomimetics as Inhibitors of Amyloid-β (Aβ) Aggregation: Potential Therapeutics of Alzheimer’s Disease
ACS Comb. Sci., 2017, 19 (2), pp 55–80
DOI: 10.1021/acscombsci.6b00116

Neural-Network-Biased Genetic Algorithms for Materials Design: Evolutionary Algorithms That Learn
ACS Comb. Sci., 2017, 19 (2), pp 96–107
DOI: 10.1021/acscombsci.6b00136

Combining a Ru(II) “Building Block” and Rapid Screening Approach to Identify DNA Structure-Selective “Light Switch” Compounds
ACS Comb. Sci., 2017, 19 (2), pp 85–95
DOI: 10.1021/acscombsci.6b00119

Fluorophore Metal–Organic Complexes: High-Throughput Optical Screening for Aprotic Electrochemical Systems
ACS Comb. Sci., 2017, 19 (2), pp 81–84
DOI: 10.1021/acscombsci.6b00171

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ACS Energy Letters

Electrochemical Capture and Release of Carbon Dioxide
Open access through ACS Editors’ Choice
ACS Energy Lett., 2017, 2 (2), pp 454–461
DOI: 10.1021/acsenergylett.6b00608

Advances and Obstacles on Perovskite Solar Cell Research from Material Properties to Photovoltaic Function
ACS Energy Lett., 2017, 2 (2), pp 520–523
DOI: 10.1021/acsenergylett.7b00085

Are You Making the Right Presentation at the Scientific Meeting?
ACS Energy Lett., 2017, 2 (2), pp 408–409
DOI: 10.1021/acsenergylett.7b00004

Next-Generation Solar Cells and Conversion of Solar Energy
ACS Energy Lett., 2017, 2 (2), pp 334–335
DOI: 10.1021/acsenergylett.6b00645

High-Efficiency Rubidium-Incorporated Perovskite Solar Cells by Gas Quenching
Open access through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (2), pp 438–444
DOI: 10.1021/acsenergylett.6b00697

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ACS Infectious Diseases

Introducing a New Associate Editor for ACS Infectious Diseases
ACS Infect. Dis., 2017, 3 (2), pp 110–110
DOI: 10.1021/acsinfecdis.7b00018

Rational Design of Selective and Bioactive Inhibitors of the Mycobacterium tuberculosis Proteasome
ACS Infect. Dis., 2017, 3 (2), pp 176–181
DOI: 10.1021/acsinfecdis.6b00172

Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors
ACS Infect. Dis., 2017, 3 (2), pp 152–161
DOI: 10.1021/acsinfecdis.6b00148

A Redox-Active Fluorescent pH Indicator for Detecting Plasmodium falciparum Strains with Reduced Responsiveness to Quinoline Antimalarial Drugs
ACS Infect. Dis., 2017, 3 (2), pp 119–131
DOI: 10.1021/acsinfecdis.5b00141

A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions
ACS Infect. Dis., 2017, 3 (2), pp 112–118
DOI: 10.1021/acsinfecdis.6b00079

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ACS Medicinal Chemistry Letters

Communicating Our Science to Our Customers: Drug Discovery in Five Simple Experiments.
ACS Med. Chem. Lett., 2017, 8 (2), pp 143–144
DOI: 10.1021/acsmedchemlett.7b00015

Intramolecular Hydrogen Bond Expectations in Medicinal Chemistry
ACS Med. Chem. Lett., 2017, 8 (2), pp 139–142
DOI: 10.1021/acsmedchemlett.7b00002

Design and Synthesis of Novel, Selective GPR40 AgoPAMs
ACS Med. Chem. Lett., 2017, 8 (2), pp 221–226
DOI: 10.1021/acsmedchemlett.6b00443

Discovery of Novel, Orally Bioavailable β-Amino Acid Azaindole Inhibitors of Influenza PB2
ACS Med. Chem. Lett., 2017, 8 (2), pp 256–260
DOI: 10.1021/acsmedchemlett.6b00486

Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
ACS Med. Chem. Lett., 2017, 8 (2), pp 239–244
DOI: 10.1021/acsmedchemlett.6b00464

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ACS Sensors

Single-Step DNA Detection Assay Monitoring Dual-Color Light Scattering from Individual Metal Nanoparticle Aggregates
Open access through ACS AuthorChoice
ACS Sens., 2017, 2 (2), pp 251–256
DOI: 10.1021/acssensors.6b00737

Quantum Dot-Based Molecularly Imprinted Polymers on Three-Dimensional Origami Paper Microfluidic Chip for Fluorescence Detection of Phycocyanin
ACS Sens., 2017, 2 (2), pp 243–250
DOI: 10.1021/acssensors.6b00664

What Are Clinically Relevant Levels of Cellular and Biomolecular Analytes?
ACS Sens., 2017, 2 (2), pp 193–197
DOI: 10.1021/acssensors.6b00691

An Ultrasensitive Plasmonic Nanosensor for Aldehydes
ACS Sens., 2017, 2 (2), pp 263–267
DOI: 10.1021/acssensors.6b00769

Inflection Point of the Localized Surface Plasmon Resonance Peak: A General Method to Improve the Sensitivity
ACS Sens., 2017, 2 (2), pp 235–242
DOI: 10.1021/acssensors.6b00633

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ACS Sustainable Chemistry & Engineering

Use of Bisulfite Processing To Generate High-β-O-4 Content Water-Soluble Lignosulfonates
Open access through ACS Editors’ Choice
ACS Sustainable Chem. Eng., 2017, 5 (2), pp 1831–1839
DOI: 10.1021/acssuschemeng.6b02566

Highly Efficient Visible-Light-Induced Photoactivity of Z-Scheme g-C3N4/Ag/MoS2 Ternary Photocatalysts for Organic Pollutant Degradation and Production of Hydrogen
ACS Sustainable Chem. Eng., 2017, 5 (2), pp 1436–1445
DOI: 10.1021/acssuschemeng.6b02010

Smart Design of Self-Assembled Mesoporous α-FeOOH Nanoparticles: High-Surface-Area Sorbent for Hg2+ from Wastewater
ACS Sustainable Chem. Eng., 2017, 5 (2), pp 1272–1279
DOI: 10.1021/acssuschemeng.6b00937

Chemically Modified Cellulose Filter Paper for Heavy Metal Remediation in Water
ACS Sustainable Chem. Eng., 2017, 5 (2), pp 1965–1973
DOI: 10.1021/acssuschemeng.6b02768

Nitrogen-Doped Graphene as a Robust Scaffold for the Homogeneous Deposition of Copper Nanostructures: A Nonenzymatic Disposable Glucose Sensor
ACS Sustainable Chem. Eng., 2017, 5 (2), pp 1648–1658
DOI: 10.1021/acssuschemeng.6b02390

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ACS Synthetic Biology

Introducing Our Authors
ACS Synth. Biol., 2017, 6 (2), pp 174–181
DOI: 10.1021/acssynbio.7b00038

Engineering of Taxadiene Synthase for Improved Selectivity and Yield of a Key Taxol Biosynthetic Intermediate
ACS Synth. Biol., 2017, 6 (2), pp 201–205
DOI: 10.1021/acssynbio.6b00206

Controlling Citrate Synthase Expression by CRISPR/Cas9 Genome Editing for n-Butanol Production in Escherichia coli
ACS Synth. Biol., 2017, 6 (2), pp 182–189
DOI: 10.1021/acssynbio.6b00134

Discovery of a Phosphonoacetic Acid Derived Natural Product by Pathway Refactoring
ACS Synth. Biol., 2017, 6 (2), pp 217–223
DOI: 10.1021/acssynbio.6b00299

A General Tool for Engineering the NAD/NADP Cofactor Preference of Oxidoreductases
ACS Synth. Biol., 2017, 6 (2), pp 326–333
DOI: 10.1021/acssynbio.6b00188

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Analytical Chemistry

Multicolor Gold–Silver Nano-Mushrooms as Ready-to-Use SERS Probes for Ultrasensitive and Multiplex DNA/miRNA Detection
Anal. Chem., 2017, 89 (4), pp 2531–2538
DOI: 10.1021/acs.analchem.6b04729

Separation of Isotopologues in Ultra-High-Resolution Ion Mobility Spectrometry
Open access through ACS Editors’ Choice
Anal. Chem., 2017, 89 (3), pp 1509–1515
DOI: 10.1021/acs.analchem.6b03300

Two-Photon Ratiometric Fluorescence Probe with Enhanced Absorption Cross Section for Imaging and Biosensing of Zinc Ions in Hippocampal Tissue and Zebrafish
Anal. Chem., 2017, 89 (4), pp 2553–2560
DOI: 10.1021/acs.analchem.6b04781

A Phenylselenium-Substituted BODIPY Fluorescent Turn-off Probe for Fluorescence Imaging of Hydrogen Sulfide in Living Cells
Anal. Chem., 2017, 89 (3), pp 1801–1807
DOI: 10.1021/acs.analchem.6b04114

Enhanced Photoelectrochemical Method for Sensitive Detection of Protein Kinase A Activity Using TiO2/g-C3N4, PAMAM Dendrimer, and Alkaline Phosphatase
Anal. Chem., 2017, 89 (4), pp 2369–2376
DOI: 10.1021/acs.analchem.6b04184

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Chemical Research in Toxicology

Deep Learning to Predict the Formation of Quinone Species in Drug Metabolism
Chem. Res. Toxicol., 2017, 30 (2), pp 642–656
DOI: 10.1021/acs.chemrestox.6b00385

DNA Advanced Glycation End Products (DNA-AGEs) Are Elevated in Urine and Tissue in an Animal Model of Type 2 Diabetes
Chem. Res. Toxicol., 2017, 30 (2), pp 689–698
DOI: 10.1021/acs.chemrestox.6b00414

Chemical Interaction of Protein Cysteine Residues with Reactive Metabolites of Methyleugenol
Chem. Res. Toxicol., 2017, 30 (2), pp 564–573
DOI: 10.1021/acs.chemrestox.6b00290

Pitfalls and Challenges in Nanotoxicology: A Case of Cobalt Ferrite (CoFe2O4) Nanocomposites
Chem. Res. Toxicol., 2017, 30 (2), pp 492–507
DOI: 10.1021/acs.chemrestox.6b00377

Call for Papers on Mass Spectrometry and Biomarkers in Human Population Studies
Chem. Res. Toxicol., 2017, 30 (2), pp 487–487
DOI: 10.1021/acs.chemrestox.6b00431

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Crystal Growth & Design

Molecular Design of Zirconium Tetrazolate Metal–Organic Frameworks for CO2 Capture
Cryst. Growth Des., 2017, 17 (2), pp 543–549
DOI: 10.1021/acs.cgd.6b01405

Comparative Stability and Sorption Study of Two the-type Metal–Organic Frameworks with Different Multiplicate Metal–Ligand Interactions in Secondary Building Units
Cryst. Growth Des., 2017, 17 (2), pp 418–422
DOI: 10.1021/acs.cgd.6b01716

Nonlinear Optical Rod Indium-Imidazoledicarboxylate Framework as Room-Temperature Gas Sensor for Butanol Isomers
Cryst. Growth Des., 2017, 17 (2), pp 423–427
DOI: 10.1021/acs.cgd.6b01744

Various Polycarboxylate-Directed Cd(II) Coordination Polymers Based on a Semirigid Bis-pyridyl-bis-amide Ligand: Construction and Fluorescent and Photocatalytic Properties
Cryst. Growth Des., 2017, 17 (2), pp 483–496
DOI: 10.1021/acs.cgd.6b01299

Carborane Bis-pyridylalcohols as Linkers for Coordination Polymers: Synthesis, Crystal Structures, and Guest-Framework Dependent Mechanical Properties
Cryst. Growth Des., 2017, 17 (2), pp 846–857
DOI: 10.1021/acs.cgd.6b01682

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Energy & Fuels

Simulation of Asphaltene Aggregation through Molecular Dynamics: Insights and Limitations
Open access through ACS AuthorChoice
Energy Fuels, 2017, 31 (2), pp 1108–1125
DOI: 10.1021/acs.energyfuels.6b02161

Chemical Kinetic Insights into the Octane Number and Octane Sensitivity of Gasoline Surrogate Mixtures
Energy Fuels, 2017, 31 (2), pp 1945–1960
DOI: 10.1021/acs.energyfuels.6b02659

Segregation of Amphiphilic Polymer-Coated Nanoparticles to Bicontinuous Oil/Water Microemulsion Phases
Energy Fuels, 2017, 31 (2), pp 1339–1346
DOI: 10.1021/acs.energyfuels.6b02687

Techno-economic Analysis of Metal–Organic Frameworks for Hydrogen and Natural Gas Storage
Energy Fuels, 2017, 31 (2), pp 2024–2032
DOI: 10.1021/acs.energyfuels.6b02510

New Composite Viscosity Reducer with Both Asphaltene Dispersion and Emulsifying Capability for Heavy and Ultraheavy Crude Oils
Energy Fuels, 2017, 31 (2), pp 1159–1173
DOI: 10.1021/acs.energyfuels.6b02265

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Environmental Science & Technology

Flint Water Crisis Caused By Interrupted Corrosion Control: Investigating “Ground Zero” Home
Open access through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (4), pp 2007–2014
DOI: 10.1021/acs.est.6b04034

In Situ Photochemical Activation of Sulfate for Enhanced Degradation of Organic Pollutants in Water
Environ. Sci. Technol., 2017, 51 (4), pp 2339–2346
DOI: 10.1021/acs.est.6b05090

Building a Wall on the Imaginary Line
Environ. Sci. Technol., 2017, 51 (3), pp 1053–1053
DOI: 10.1021/acs.est.6b05220

Burden of Disease from Rising Coal-Fired Power Plant Emissions in Southeast Asia
Open access through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (3), pp 1467–1476
DOI: 10.1021/acs.est.6b03731

Continuing the Discussion
Environ. Sci. Technol., 2017, 51 (3), pp 1059–1059
DOI: 10.1021/acs.est.6b06153

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Environmental Science Technology Letters

A pH-Gradient Flow Cell for Converting Waste CO2 into Electricity
Open access through ACS AuthorChoice
Environ. Sci. Technol. Lett., 2017, 4 (2), pp 49–53
DOI: 10.1021/acs.estlett.6b00467

An Inconvenient Administration
Environ. Sci. Technol. Lett., 2017, 4 (2), pp 31–31
DOI: 10.1021/acs.estlett.7b00011

Integrated Framework for Identifying Toxic Transformation Products in Complex Environmental Mixtures
Environ. Sci. Technol. Lett., 2017, 4 (2), pp 32–43
DOI: 10.1021/acs.estlett.6b00455

Lubricating Oil as a Major Constituent of Ship Exhaust Particles
Environ. Sci. Technol. Lett., 2017, 4 (2), pp 54–58
DOI: 10.1021/acs.estlett.6b00488

Identification of Mercury and Dissolved Organic Matter Complexes Using Ultrahigh Resolution Mass Spectrometry
Environ. Sci. Technol. Lett., 2017, 4 (2), pp 59–65
DOI: 10.1021/acs.estlett.6b00460

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Industrial & Engineering Chemistry Research 

Biomimetic Superhydrophobic Engineering Metal Surface with Hierarchical Structure and Tunable Adhesion: Design of Microscale Pattern
Open access through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (4), pp 907–919
DOI: 10.1021/acs.iecr.6b03936

An Effective Biocatalytic Reactor–Rotating Packed Bed Applied in Hydrolysis Reactions
Open access through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (5), pp 1349–1353
DOI: 10.1021/acs.iecr.6b03381

Comprehensive Analysis of Sorption Enhanced Steam Methane Reforming in a Variable Volume Membrane Reactor
Ind. Eng. Chem. Res., 2017, 56 (7), pp 1758–1771
DOI: 10.1021/acs.iecr.6b04392

Zeolitic Imidazolate Framework-8 (ZIF-8) Membranes for Kr/Xe Separation
Ind. Eng. Chem. Res., 2017, 56 (6), pp 1682–1686
DOI: 10.1021/acs.iecr.6b04868

Facile Synthesis and Direct Activation of Zirconium Based Metal–Organic Frameworks from Acetone
Ind. Eng. Chem. Res., 2017, 56 (6), pp 1478–1484
DOI: 10.1021/acs.iecr.6b04361

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Journal of Agricultural and Food Chemistry

Development of a QuEChERS-Based Method for the Simultaneous Determination of Acidic Pesticides, Their Esters, and Conjugates Following Alkaline Hydrolysis
J. Agric. Food Chem., 2017, 65 (6), pp 1296–1305
DOI: 10.1021/acs.jafc.6b05407

Neuroprotective Effects of Bioavailable Polyphenol-Derived Metabolites against Oxidative Stress-Induced Cytotoxicity in Human Neuroblastoma SH-SY5Y Cells
Open access through ACS Editors’ Choice
J. Agric. Food Chem., 2017, 65 (4), pp 752–758
DOI: 10.1021/acs.jafc.6b04538

Analytical Methods Used in the Quality Control of Honey
J. Agric. Food Chem., 2017, 65 (4), pp 690–703
DOI: 10.1021/acs.jafc.6b04776

A Perspective on Crocus sativus L. (Saffron) Constituent Crocin: A Potent Water-Soluble Antioxidant and Potential Therapy for Alzheimer’s Disease
J. Agric. Food Chem., 2017, 65 (5), pp 1005–1020
DOI: 10.1021/acs.jafc.6b04398

Chemical and Antioxidant Properties of Betalains
J. Agric. Food Chem., 2017, 65 (4), pp 675–689
DOI: 10.1021/acs.jafc.6b04208

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Journal of Chemical & Engineering Data

The Viscosity and Density of Ionic Liquid + Tetraglyme Mixtures and the Effect of Tetraglyme on CO2 Solubility
J. Chem. Eng. Data, 2017, 62 (2), pp 608–622
DOI: 10.1021/acs.jced.6b00596

Evaluating Characteristic Parameters for Carbon Dioxide in the Sanchez–Lacombe Equation of State
J. Chem. Eng. Data, 2017, 62 (2), pp 585–595
DOI: 10.1021/acs.jced.6b00743

Correction to “Measurement and Correlation of 1,4-Naphthoquinone and of Plumbagin Solubilities in Supercritical Carbon Dioxide”
J. Chem. Eng. Data, 2017, 62 (2), pp 886–887
DOI: 10.1021/acs.jced.7b00025

Thermodynamic Study of Methylene Blue Adsorption on Carbon Nanotubes Using Isothermal Titration Calorimetry: A Simple and Rigorous Approach
J. Chem. Eng. Data, 2017, 62 (2), pp 729–737
DOI: 10.1021/acs.jced.6b00804

Correction to “Liquid–Liquid Equilibria in Aqueous Mixtures of Alkylmethylimidazolium Glutamate with Potassium Carbonate and Some Physicochemical Properties of Aqueous [Cnmim][Glu] (n = 4, 6, 8) Solutions”
J. Chem. Eng. Data, 2017, 62 (2), pp 885–885
DOI: 10.1021/acs.jced.6b00906

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Journal of Chemical Information and Modeling

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine
Open access through ACS AuthorChoice
J. Chem. Inf. Model., 2017, 57 (2), pp 115–121
DOI: 10.1021/acs.jcim.6b00686

Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide
J. Chem. Inf. Model., 2017, 57 (2), pp 190–202
DOI: 10.1021/acs.jcim.6b00443

Binding Pose Flip Explained via Enthalpic and Entropic Contributions
Open access through ACS AuthorChoice
J. Chem. Inf. Model., 2017, 57 (2), pp 345–354
DOI: 10.1021/acs.jcim.6b00483

Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization
J. Chem. Inf. Model., 2017, 57 (2), pp 133–147
DOI: 10.1021/acs.jcim.6b00426

pmx Webserver: A User Friendly Interface for Alchemistry
J. Chem. Inf. Model., 2017, 57 (2), pp 109–114
DOI: 10.1021/acs.jcim.6b00498

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Journal of Chemical Theory and Computation

Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (2), pp 451–459
DOI: 10.1021/acs.jctc.6b00778

Quantitative Assessment of Molecular Dynamics Sampling for Flexible Systems
J. Chem. Theory Comput., 2017, 13 (2), pp 400–414
DOI: 10.1021/acs.jctc.6b00823

Systematic Quantum Mechanical Region Determination in QM/MM Simulation
J. Chem. Theory Comput., 2017, 13 (2), pp 563–576
DOI: 10.1021/acs.jctc.6b01049

Modeling Diversity in Structures of Bacterial Outer Membrane Lipids
J. Chem. Theory Comput., 2017, 13 (2), pp 811–824
DOI: 10.1021/acs.jctc.6b00856

A Monte Carlo Resampling Approach for the Calculation of Hybrid Classical and Quantum Free Energies
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (2), pp 415–424
DOI: 10.1021/acs.jctc.6b00506

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Journal of Medicinal Chemistry

Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases
J. Med. Chem., 2017, 60 (4), pp 1247–1261
DOI: 10.1021/acs.jmedchem.6b01751

Recent Advances in Scaffold Hopping
J. Med. Chem., 2017, 60 (4), pp 1238–1246
DOI: 10.1021/acs.jmedchem.6b01437

Covalent Modifiers: A Chemical Perspective on the Reactivity of α,β-Unsaturated Carbonyls with Thiols via Hetero-Michael Addition Reactions
J. Med. Chem., 2017, 60 (3), pp 839–885
DOI: 10.1021/acs.jmedchem.6b00788

Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A
J. Med. Chem., 2017, 60 (3), pp 1000–1017
DOI: 10.1021/acs.jmedchem.6b01329

Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker
J. Med. Chem., 2017, 60 (3), pp 1060–1075
DOI: 10.1021/acs.jmedchem.6b01460

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The Journal of Physical Chemistry A

Natural Bond Orbitals and the Nature of the Hydrogen Bond
J. Phys. Chem. A, 2017, 121 (7), pp 1531–1534
DOI: 10.1021/acs.jpca.6b12930

Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy
Open access through ACS Editors’ Choice
J. Phys. Chem. A, 2017, 121 (7), pp 1389–1401
DOI: 10.1021/acs.jpca.6b09784

Why Are Addition Reactions to N2 Thermodynamically Unfavorable?
J. Phys. Chem. A, 2017, 121 (5), pp 1140–1144
DOI: 10.1021/acs.jpca.6b11728

Formation Mechanisms of Naphthalene and Indene: From the Interstellar Medium to Combustion Flames
J. Phys. Chem. A, 2017, 121 (5), pp 901–926
DOI: 10.1021/acs.jpca.6b09735

“Watching” the Dark State in Ultrafast Nonadiabatic Photoisomerization Process of a Light-Driven Molecular Rotary Motor
J. Phys. Chem. A, 2017, 121 (6), pp 1240–1249
DOI: 10.1021/acs.jpca.6b12253

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The Journal of Physical Chemistry B

Editorial – Virtual Issue of JPCB on Biophysics
J. Phys. Chem. B, 2017, 121 (5), pp 913–914
DOI: 10.1021/acs.jpcb.6b12749

Characterization of Nanocellulose Using Small-Angle Neutron, X-ray, and Dynamic Light Scattering Techniques
J. Phys. Chem. B, 2017, 121 (6), pp 1340–1351
DOI: 10.1021/acs.jpcb.6b11425

A Spectroscopic and Molecular Simulation Approach toward the Binding Affinity between Lysozyme and Phenazinium Dyes: An Effect on Protein Conformation
J. Phys. Chem. B, 2017, 121 (7), pp 1475–1484
DOI: 10.1021/acs.jpcb.6b10991

The Levinthal Problem in Amyloid Aggregation: Sampling of a Flat Reaction Space
J. Phys. Chem. B, 2017, 121 (7), pp 1576–1586
DOI: 10.1021/acs.jpcb.7b00253

Coarse-Grained Molecular Simulation of the Hierarchical Self-Assembly of π-Conjugated Optoelectronic Peptides
J. Phys. Chem. B, 2017, 121 (7), pp 1684–1706
DOI: 10.1021/acs.jpcb.6b10165

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The Journal of Physical Chemistry C

Photon Reabsorption in Mixed CsPbCl3:CsPbI3 Perovskite Nanocrystal Films for Light-Emitting Diodes
J. Phys. Chem. C, 2017, 121 (7), pp 3790–3796
DOI: 10.1021/acs.jpcc.6b12828

Light-Induced Degradation of CH3NH3PbI3 Hybrid Perovskite Thin Film
J. Phys. Chem. C, 2017, 121 (7), pp 3904–3910
DOI: 10.1021/acs.jpcc.6b11853

Ag Doping of Organometal Lead Halide Perovskites: Morphology Modification and p-Type Character
J. Phys. Chem. C, 2017, 121 (7), pp 3673–3679
DOI: 10.1021/acs.jpcc.6b09722

Control of Symmetry Breaking Size and Aspect Ratio in Gold Nanorods: Underlying Role of Silver Nitrate
J. Phys. Chem. C, 2017, 121 (6), pp 3549–3559
DOI: 10.1021/acs.jpcc.6b10343

Tunable Structural, Electronic, and Optical Properties of Layered Two-Dimensional C2N and MoS2 van der Waals Heterostructure as Photovoltaic Material
J. Phys. Chem. C, 2017, 121 (6), pp 3654–3660
DOI: 10.1021/acs.jpcc.6b12681

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The Journal of Physical Chemistry Letters

Charge Carrier Trapping at Surface Defects of Perovskite Solar Cell Absorbers: A First-Principles Study
Open access through ACS Editors’ Choice
J. Phys. Chem. Lett., 2017, 8 (4), pp 742–746
DOI: 10.1021/acs.jpclett.7b00055

Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap
J. Phys. Chem. Lett., 2017, 8 (4), pp 772–778
DOI: 10.1021/acs.jpclett.6b02682

Spectroscopic Evidences for Strong Hydrogen Bonds with Selenomethionine in Proteins
J. Phys. Chem. Lett., 2017, 8 (4), pp 794–800
DOI: 10.1021/acs.jpclett.6b02931

Electron Transfer from Triplet State of TIPS-Pentacene Generated by Singlet Fission Processes to CH3NH3PbI3 Perovskite
J. Phys. Chem. Lett., 2017, 8 (4), pp 884–888
DOI: 10.1021/acs.jpclett.7b00072

First-Principles Study of Novel Two-Dimensional (C4H9NH3)2PbX4 Perovskites for Solar Cell Absorbers
J. Phys. Chem. Lett., 2017, 8 (4), pp 876–883
DOI: 10.1021/acs.jpclett.7b00003

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Journal of Proteome Research

Expansion for the Brachylophosaurus canadensis Collagen I Sequence and Additional Evidence of the Preservation of Cretaceous Protein
J. Proteome Res., 2017, 16 (2), pp 920–932
DOI: 10.1021/acs.jproteome.6b00873

The Cover Letter
J. Proteome Res., 2017, 16 (2), pp 367–367
DOI: 10.1021/acs.jproteome.6b01068

Analysis of Reproducibility of Proteome Coverage and Quantitation Using Isobaric Mass Tags (iTRAQ and TMT)
J. Proteome Res., 2017, 16 (2), pp 384–392
DOI: 10.1021/acs.jproteome.5b01154

Advancing Top-down Analysis of the Human Proteome Using a Benchtop Quadrupole-Orbitrap Mass Spectrometer
J. Proteome Res., 2017, 16 (2), pp 609–618
DOI: 10.1021/acs.jproteome.6b00698

Optimization of Acquisition and Data-Processing Parameters for Improved Proteomic Quantification by Sequential Window Acquisition of All Theoretical Fragment Ion Mass Spectrometry
J. Proteome Res., 2017, 16 (2), pp 738–747
DOI: 10.1021/acs.jproteome.6b00767

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Molecular Pharmaceutics

Polymer–Drug Nanoparticles Combine Doxorubicin Carrier and Heparin Bioactivity Functionalities for Primary and Metastatic Cancer Treatment
Mol. Pharmaceutics, 2017, 14 (2), pp 513–522
DOI: 10.1021/acs.molpharmaceut.6b00979

Measurement of in vivo Gastrointestinal Release and Dissolution of Three Locally Acting Mesalamine Formulations in Regions of the Human Gastrointestinal Tract
Mol. Pharmaceutics, 2017, 14 (2), pp 345–358
DOI: 10.1021/acs.molpharmaceut.6b00641

Effect of Particle Size on Drug Loading and Release Kinetics of Gefitinib-Loaded PLGA Microspheres
Mol. Pharmaceutics, 2017, 14 (2), pp 459–467
DOI: 10.1021/acs.molpharmaceut.6b00896

Preclinical Comparison of Albumin-Binding Radiofolates: Impact of Linker Entities on the in Vitro and in Vivo Properties
Mol. Pharmaceutics, 2017, 14 (2), pp 523–532
DOI: 10.1021/acs.molpharmaceut.6b01010

Self-Assembly PEGylation Retaining Activity (SPRA) Technology via a Host–Guest Interaction Surpassing Conventional PEGylation Methods of Proteins
Mol. Pharmaceutics, 2017, 14 (2), pp 368–376
DOI: 10.1021/acs.molpharmaceut.6b00678

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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 (2), pp 142–152
DOI: 10.1021/acs.oprd.7b00027

In Praise of Short Papers for OPR&D
Org. Process Res. Dev., 2017, 21 (2), pp 141–141
DOI: 10.1021/acs.oprd.7b00012

Green Chemistry Articles of Interest to the Pharmaceutical Industry
Org. Process Res. Dev., 2017, 21 (2), pp 153–164
DOI: 10.1021/acs.oprd.7b00014

Process Development of a CRF1 Receptor Antagonist Based on the Selective Chlorination of a Benzimidazolone via Chlorine Migration
Org. Process Res. Dev., 2017, 21 (2), pp 222–230
DOI: 10.1021/acs.oprd.6b00389

Sustainable and Scalable Fe/ppm Pd Nanoparticle Nitro Group Reductions in Water at Room Temperature
Org. Process Res. Dev., 2017, 21 (2), pp 247–252
DOI: 10.1021/acs.oprd.6b00410

If you have comments or questions for the author of this post, please e-mail: Axial@acs.org.