Discover the Most-Read Applied Chemistry Articles of December 2017

What were chemists reading in December of 2017? To find out, we’ve compiled lists of the five most-read chemistry articles that appeared in each analytical chemistry ACS Publications journal in December 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 December 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

Deformation Drives Alignment of Nanofibers in Framework for Inducing Anisotropic Cellulose Hydrogels with High Toughness
ACS Appl. Mater. Interfaces, 2017, 9 (49), pp 43154–43162
DOI: 10.1021/acsami.7b14900

UiO-66-NH2 Metal–Organic Framework (MOF) Nucleation on TiO2, ZnO, and Al2O3 Atomic Layer Deposition-Treated Polymer Fibers: Role of Metal Oxide on MOF Growth and Catalytic Hydrolysis of Chemical Warfare Agent Simulants
ACS Appl. Mater. Interfaces, 2017, 9 (51), pp 44847–44855
DOI: 10.1021/acsami.7b15397

One-Step Preparation of Cesium Lead Halide CsPbX3 (X = Cl, Br, and I) Perovskite Nanocrystals by Microwave Irradiation
ACS Appl. Mater. Interfaces, 2017, 9 (49), pp 42919–42927
DOI: 10.1021/acsami.7b14677

Hierarchical Mesoporous NiO/MnO2@PANI Core–Shell Microspheres, Highly Efficient and Stable Bifunctional Electrocatalysts for Oxygen Evolution and Reduction Reactions
ACS Appl. Mater. Interfaces, 2017, 9 (49), pp 42676–42687
DOI: 10.1021/acsami.7b07383

Metal–Organic Framework-Derived Metal Oxide Embedded in Nitrogen-Doped Graphene Network for High-Performance Lithium-Ion Batteries
ACS Appl. Mater. Interfaces, 2017, 9 (49), pp 43171–43178
DOI: 10.1021/acsami.7b15315

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ACS Biomaterials Science & Engineering

Methods To Assess Shear-Thinning Hydrogels for Application As Injectable Biomaterials
Open access through Editors’ Choice
ACS Biomater. Sci. Eng., 2017, 3 (12), pp 3146–3160
DOI: 10.1021/acsbiomaterials.7b00734

Dual Channel Activatable Cyanine Dye for Mitochondrial Imaging and Mitochondria-Targeted Cancer Theranostics
ACS Biomater. Sci. Eng., 2017, 3 (12), pp 3596–3606
DOI: 10.1021/acsbiomaterials.7b00480

Turning Expanded Poly(tetrafluoroethylene) Membranes into Potential Skin Wound Dressings by Grafting a Bioinert Epoxylated PEGMA Copolymer
ACS Biomater. Sci. Eng., 2017, 3 (12), pp 3338–3350
DOI: 10.1021/acsbiomaterials.7b00732

Injectable, Self-Healing Chimeric Catechol-Fe(III) Hydrogel for Localized Combination Cancer Therapy
ACS Biomater. Sci. Eng., 2017, 3 (12), pp 3404–3413
DOI: 10.1021/acsbiomaterials.7b00741

Influence of Hydroxyl Groups on the Cell Viability of Polyhydroxyalkanoate (PHA) Scaffolds for Tissue Engineering
Open access through ACS AuthorChoice
ACS Biomater. Sci. Eng., 2017, 3 (12), pp 3064–3075
DOI: 10.1021/acsbiomaterials.6b00279

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ACS Combinatorial Science

High-Throughput Chemical Probing of Full-Length Protein–Protein Interactions
ACS Comb. Sci., 2017, 19 (12), pp 763–769
DOI: 10.1021/acscombsci.7b00128

Synthesis of 2-Alkoxy/Thioalkoxy Benzo[d]imidazoles and 2-Thione Benzo[d]imidazoles via a Phase-Based, Chemoselective Reaction
ACS Comb. Sci., 2017, 19 (12), pp 738–747
DOI: 10.1021/acscombsci.7b00106

Microwave-Facilitated SPOT-Synthesis of Antibacterial Dipeptoids
ACS Comb. Sci., 2017, 19 (12), pp 715–737
DOI: 10.1021/acscombsci.7b00096

Stereoselective Synthesis of Benzo[e][1,4]oxazino[4,3-a][1,4]diazepine-6,12-diones with Two Diversity Positions
ACS Comb. Sci., 2017, 19 (12), pp 770–774
DOI: 10.1021/acscombsci.7b00134

Efficient Synthesis of 1,9-Substituted Benzo[h][1,6]naphthyridin-2(1H)-ones and Evaluation of their Plasmodium falciparum Gametocytocidal Activities
ACS Comb. Sci., 2017, 19 (12), pp 748–754
DOI: 10.1021/acscombsci.7b00119

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ACS Energy Letters

Direction for Development of Next-Generation Lithium-Ion Batteries
ACS Energy Lett., 2017, 2 (12), pp 2694–2695
DOI: 10.1021/acsenergylett.7b01027

Hierarchical Porous Double-Shelled Electrocatalyst with Tailored Lattice Alkalinity toward Bifunctional Oxygen Reactions for Metal–Air Batteries
ACS Energy Lett., 2017, 2 (12), pp 2706–2712
DOI: 10.1021/acsenergylett.7b00989

Systematically Optimized Bilayered Electron Transport Layer for Highly Efficient Planar Perovskite Solar Cells (η = 21.1%)
ACS Energy Lett., 2017, 2 (12), pp 2667–2673
DOI: 10.1021/acsenergylett.7b00888

Recent Advancements in Li-Ion Conductors for All-Solid-State Li-Ion Batteries
ACS Energy Lett., 2017, 2 (12), pp 2734–2751
DOI: 10.1021/acsenergylett.7b00849

A Conversation with Can Li
ACS Energy Lett., 2017, 2 (12), pp 2723–2724
DOI: 10.1021/acsenergylett.7b01059

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ACS Infectious Diseases

Exploiting the Sensitivity of Nutrient Transporter Deletion Strains in Discovery of Natural Product Antimetabolites
Open access through Editors’ Choice
ACS Infect. Dis., 2017, 3 (12), pp 955–965
DOI: 10.1021/acsinfecdis.7b00149

Improved Phenoxyalkylbenzimidazoles with Activity against Mycobacterium tuberculosis Appear to Target QcrB
Open access through ACS AuthorChoice
ACS Infect. Dis., 2017, 3 (12), pp 898–916
DOI: 10.1021/acsinfecdis.7b00112

Plasma Levels of Complement Factor I and C4b Peptides Are Associated with HIV Suppression
Open access through ACS AuthorChoice
ACS Infect. Dis., 2017, 3 (12), pp 880–885
DOI: 10.1021/acsinfecdis.7b00042

Polymyxin B3–Tobramycin Hybrids with Pseudomonas aeruginosa-Selective Antibacterial Activity and Strong Potentiation of Rifampicin, Minocycline, and Vancomycin
ACS Infect. Dis., 2017, 3 (12), pp 941–954
DOI: 10.1021/acsinfecdis.7b00145

Clinical Variants of New Delhi Metallo-β-Lactamase Are Evolving To Overcome Zinc Scarcity
ACS Infect. Dis., 2017, 3 (12), pp 927–940
DOI: 10.1021/acsinfecdis.7b00128

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ACS Medicinal Chemistry Letters

Discovery of APD371: Identification of a Highly Potent and Selective CB2 Agonist for the Treatment of Chronic Pain
ACS Med. Chem. Lett., 2017, 8 (12), pp 1309–1313
DOI: 10.1021/acsmedchemlett.7b00396

Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions
ACS Med. Chem. Lett., 2017, 8 (12), pp 1224–1229
DOI: 10.1021/acsmedchemlett.7b00239

Design, Synthesis, and Biological Activity of 1,2,3-Triazolobenzodiazepine BET Bromodomain Inhibitors
ACS Med. Chem. Lett., 2017, 8 (12), pp 1298–1303
DOI: 10.1021/acsmedchemlett.7b00389

Novel Naphthalimide Aminothiazoles as Potential Multitargeting Antimicrobial Agents
ACS Med. Chem. Lett., 2017, 8 (12), pp 1331–1335
DOI: 10.1021/acsmedchemlett.7b00452

Long-Lasting and Fast-Acting in Vivo Efficacious Antiplasmodial Azepanylcarbazole Amino Alcohol
Open access through ACS AuthorChoice
ACS Med. Chem. Lett., 2017, 8 (12), pp 1304–1308
DOI: 10.1021/acsmedchemlett.7b00391

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ACS Sensors

DNAzyme Based Nanomachine for in Situ Detection of MicroRNA in Living Cells
ACS Sens., 2017, 2 (12), pp 1847–1853
DOI: 10.1021/acssensors.7b00710

DNAzyme Based Nanomachine for in Situ Detection of MicroRNA in Living Cells
ACS Sens., 2017, 2 (12), pp 1847–1853
DOI: 10.1021/acssensors.7b00710

Fluorescent Binary Ensemble Based on Pyrene Derivative and Sodium Dodecyl Sulfate Assemblies as a Chemical Tongue for Discriminating Metal Ions and Brand Water
ACS Sens., 2017, 2 (12), pp 1821–1830
DOI: 10.1021/acssensors.7b00634

Universal Multifunctional Nanoplatform Based on Target-Induced in Situ Promoting Au Seeds Growth to Quench Fluorescence of Upconversion Nanoparticles
ACS Sens., 2017, 2 (12), pp 1805–1813
DOI: 10.1021/acssensors.7b00616

On Chip Protein Pre-Concentration for Enhancing the Sensitivity of Porous Silicon Biosensors
Open access through ACS AuthorChoice
ACS Sens., 2017, 2 (12), pp 1767–1773
DOI: 10.1021/acssensors.7b00692

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ACS Sustainable Chemistry & Engineering

Novel Catalytic Materials for Energy and the Environment
ACS Sustainable Chem. Eng., 2017, 5 (12), pp 11124–11124
DOI: 10.1021/acssuschemeng.7b04217

ZIF-8-Based Membranes for Carbon Dioxide Capture and Separation
ACS Sustainable Chem. Eng., 2017, 5 (12), pp 11204–11214
DOI: 10.1021/acssuschemeng.7b03613

Comment on “Turning Vulcanized Natural Rubber into a Self-Healing Polymer: Effect of the Disulfide/Polysulfide Ratio”
ACS Sustainable Chem. Eng., 2017, 5 (12), pp 11125–11126
DOI: 10.1021/acssuschemeng.7b02965

Response to Comment on “Turning Vulcanized Natural Rubber into a Self-Healing Polymer: Effect of the Disulfide/Polysulfide Ratio”
Open access through ACS AuthorChoice
ACS Sustainable Chem. Eng., 2017, 5 (12), pp 11127–11129
DOI: 10.1021/acssuschemeng.7b03647

Superhydrophobic Surfaces Made from Naturally Derived Hydrophobic Materials
ACS Sustainable Chem. Eng., 2017, 5 (12), pp 11362–11370
DOI: 10.1021/acssuschemeng.7b02424

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ACS Synthetic Biology

Blue Light Switchable Bacterial Adhesion as a Key Step toward the Design of Biofilms
ACS Synth. Biol., 2017, 6 (12), pp 2170–2174
DOI: 10.1021/acssynbio.7b00197

A Cell-Free Biosensor for Detecting Quorum Sensing Molecules in P. aeruginosa-Infected Respiratory Samples
ACS Synth. Biol., 2017, 6 (12), pp 2293–2301
DOI: 10.1021/acssynbio.7b00219

Combining CRISPR and CRISPRi Systems for Metabolic Engineering of E. coli and 1,4-BDO Biosynthesis
ACS Synth. Biol., 2017, 6 (12), pp 2350–2361
DOI: 10.1021/acssynbio.7b00251

Genetic Constructor: An Online DNA Design Platform
Open access through ACS AuthorChoice
ACS Synth. Biol., 2017, 6 (12), pp 2362–2365
DOI: 10.1021/acssynbio.7b00236

Rapid and Scalable Preparation of Bacterial Lysates for Cell-Free Gene Expression
ACS Synth. Biol., 2017, 6 (12), pp 2198–2208
DOI: 10.1021/acssynbio.7b00253

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Analytical Chemistry

ATP-Activatable Photosensitizer Enables Dual Fluorescence Imaging and Targeted Photodynamic Therapy of Tumor
Anal. Chem., 2017, 89 (24), pp 13610–13617
DOI: 10.1021/acs.analchem.7b04197

Fast and Selective Two-Stage Ratiometric Fluorescent Probes for Imaging of Glutathione in Living Cells
Anal. Chem., 2017, 89 (24), pp 13112–13119
DOI: 10.1021/acs.analchem.7b02311

Ratiometric Detection of Intracellular Lysine and pH with One-Pot Synthesized Dual Emissive Carbon Dots
Anal. Chem., 2017, 89 (24), pp 13626–13633
DOI: 10.1021/acs.analchem.7b04211

Dual-Signal Readout Nanospheres for Rapid Point-of-Care Detection of Ebola Virus Glycoprotein
Anal. Chem., 2017, 89 (24), pp 13105–13111
DOI: 10.1021/acs.analchem.7b02222

Optical Nanoantenna for Single Molecule-Based Detection of Zika Virus Nucleic Acids without Molecular Multiplication
Open access through Editors’ Choice
Anal. Chem., 2017, 89 (23), pp 13000–13007
DOI: 10.1021/acs.analchem.7b04082

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Chemical Research in Toxicology

Molecular Signatures Associated with Treatment of Triple-Negative MDA-MB231 Breast Cancer Cells with Histone Deacetylase Inhibitors JAHA and SAHA
Open access through Editors’ Choice
Chem. Res. Toxicol., 2017, 30 (12), pp 2187–2196
DOI: 10.1021/acs.chemrestox.7b00269

Spotlight
Chem. Res. Toxicol., 2017, 30 (12), pp 2095–2096
DOI: 10.1021/acs.chemrestox.7b00316

Nicotine Alters the Gut Microbiome and Metabolites of Gut–Brain Interactions in a Sex-Specific Manner
Chem. Res. Toxicol., 2017, 30 (12), pp 2110–2119
DOI: 10.1021/acs.chemrestox.7b00162

Refinement of a Methodology for Untargeted Detection of Serum Albumin Adducts in Human Populations
Open access through ACS AuthorChoice
Chem. Res. Toxicol., 2017, 30 (12), pp 2120–2129
DOI: 10.1021/acs.chemrestox.7b00186

A Rapid Throughput Method To Extract DNA from Formalin-Fixed Paraffin-Embedded Tissues for Biomonitoring Carcinogenic DNA Adducts
Chem. Res. Toxicol., 2017, 30 (12), pp 2130–2139
DOI: 10.1021/acs.chemrestox.7b00218

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Crystal Growth & Design

Four New 3D Metal–Organic Frameworks Constructed by a V-shaped Tetracarboxylates Ligand: Selective CO2 Sorption and Luminescent Sensing
Cryst. Growth Des., 2017, 17 (12), pp 6733–6740
DOI: 10.1021/acs.cgd.7b01335

Structural Diversity and Vibrational Spectra of Nine Cu(I)-Cyanide Metal–Organic Frameworks with in Situ Generated N-Heterocyclic Ligands
Cryst. Growth Des., 2017, 17 (12), pp 6281–6290
DOI: 10.1021/acs.cgd.7b00967

Insight into the Role of Hydrogen Bonding in the Molecular Self-Assembly Process of Sulfamethazine Solvates
Cryst. Growth Des., 2017, 17 (12), pp 6151–6157
DOI: 10.1021/acs.cgd.7b00717

A Large Family of Halogen-Bonded Cocrystals Involving Metal–Organic Building Blocks with Open Coordination Sites
Published as part of a Crystal Growth and Design virtual special issue Honoring Prof. William Jones and His Contributions to Organic Solid-State Chemistry
Cryst. Growth Des., 2017, 17 (12), pp 6169–6173
DOI: 10.1021/acs.cgd.7b01325

New Strategy for Black Phosphorus Crystal Growth through Ternary Clathrate
Cryst. Growth Des., 2017, 17 (12), pp 6579–6585
DOI: 10.1021/acs.cgd.7b01239

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Energy & Fuels

Modeling of Catalytic Fixed-Bed Reactors for Fuels Production by Fischer–Tropsch Synthesis
Energy Fuels, 2017, 31 (12), pp 13011–13042
DOI: 10.1021/acs.energyfuels.7b01431

Polymer Gel Systems for Water Management in High-Temperature Petroleum Reservoirs: A Chemical Review
Energy Fuels, 2017, 31 (12), pp 13063–13087
DOI: 10.1021/acs.energyfuels.7b02897

From Mineral Surfaces and Coreflood Experiments to Reservoir Implementations: Comprehensive Review of Low-Salinity Water Flooding (LSWF)
Energy Fuels, 2017, 31 (12), pp 13043–13062
DOI: 10.1021/acs.energyfuels.7b02730

Study on the Volatiles and Kinetic of in-Situ Catalytic Pyrolysis of Swelling Low-Rank Coal
Energy Fuels, 2017, 31 (12), pp 13558–13571
DOI: 10.1021/acs.energyfuels.7b02952

Study on the Influencing Factors of the Distribution Characteristics of Polycyclic Aromatic Hydrocarbons in Condensable Particulate Matter
Energy Fuels, 2017, 31 (12), pp 13233–13238
DOI: 10.1021/acs.energyfuels.7b01991

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Environmental Science & Technology

Stressor Exposures Determine Risk: So, Why Do Fellow Scientists Continue To Focus on Superficial Microplastics Risk?
Environ. Sci. Technol., 2017, 51 (23), pp 13515–13516
DOI: 10.1021/acs.est.7b05463

Remediation of Polluted Soil in China: Policy and Technology Bottlenecks
Open access through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (24), pp 14027–14029
DOI: 10.1021/acs.est.7b05471

Lending an Eye to a Beleaguered Guardian of the Environment
Environ. Sci. Technol., 2017, 51 (24), pp 14025–14026
DOI: 10.1021/acs.est.7b06119

Land-Sparing Opportunities for Solar Energy Development in Agricultural Landscapes: A Case Study of the Great Central Valley, CA, United States
Environ. Sci. Technol., 2017, 51 (24), pp 14472–14482
DOI: 10.1021/acs.est.7b05110

Black Carbon (Biochar) In Water/Soil Environments: Molecular Structure, Sorption, Stability, and Potential Risk
Environ. Sci. Technol., 2017, 51 (23), pp 13517–13532
DOI: 10.1021/acs.est.7b02528

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Environmental Science & Technology Letters

Is the EPA Going To Protect the Environment?
Environ. Sci. Technol. Lett., 2017, 4 (12), pp 511–511
DOI: 10.1021/acs.estlett.7b00487

Biological Bromate Reduction Driven by Methane in a Membrane Biofilm Reactor
Environ. Sci. Technol. Lett., 2017, 4 (12), pp 562–566
DOI: 10.1021/acs.estlett.7b00488

Atmospheric Photooxidation Diminishes Light Absorption by Primary Brown Carbon Aerosol from Biomass Burning
Environ. Sci. Technol. Lett., 2017, 4 (12), pp 540–545
DOI: 10.1021/acs.estlett.7b00393

An Isotopic Dilution Approach for Quantifying Mercury Lability in Soils
Environ. Sci. Technol. Lett., 2017, 4 (12), pp 556–561
DOI: 10.1021/acs.estlett.7b00510

pH Dependence of the Imidazole-2-carboxaldehyde Hydration Equilibrium: Implications for Atmospheric Light Absorbance
Environ. Sci. Technol. Lett., 2017, 4 (12), pp 551–555
DOI: 10.1021/acs.estlett.7b00486

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Industrial & Engineering Chemistry Research

Separation of Xylene Isomers: A Review of Recent Advances in Materials
Ind. Eng. Chem. Res., 2017, 56 (50), pp 14725–14753
DOI: 10.1021/acs.iecr.7b03127

Enhancing Higher Hydrocarbons Capture for Natural Gas Upgrading by Tuning van der Waals Interactions in fcu-Type Zr-MOFs
Ind. Eng. Chem. Res., 2017, 56 (49), pp 14633–14641
DOI: 10.1021/acs.iecr.7b03341

Using Artificial Neural Network and Ideal Adsorbed Solution Theory for Predicting the CO2/CH4 Selectivities of Metal–Organic Frameworks: A Comparative Study
Ind. Eng. Chem. Res., 2017, 56 (49), pp 14610–14622
DOI: 10.1021/acs.iecr.7b03008

Thermal Energy Storage Using Poly(ethylene glycol) Incorporated Hyperbranched Polyurethane as Solid–Solid Phase Change Material
Ind. Eng. Chem. Res., 2017, 56 (49), pp 14401–14409
DOI: 10.1021/acs.iecr.7b03330

Rapid and Efficient Removal of Carbamazepine from Water by UiO-67
Ind. Eng. Chem. Res., 2017, 56 (51), pp 15122–15130
DOI: 10.1021/acs.iecr.7b03208

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Journal of Agricultural and Food Chemistry

Discovery of a New Fungicide Candidate through Lead Optimization of Pyrimidinamine Derivatives and Its Activity against Cucumber Downy Mildew
J. Agric. Food Chem., 2017, 65 (49), pp 10829–10835
DOI: 10.1021/acs.jafc.7b03898

Preparation of Lignin/Sodium Dodecyl Sulfate Composite Nanoparticles and Their Application in Pickering Emulsion Template-Based Microencapsulation
J. Agric. Food Chem., 2017, 65 (50), pp 11011–11019
DOI: 10.1021/acs.jafc.7b03784

Ellagitannins from Strawberries with Different Degrees of Polymerization Showed Different Metabolism through Gastrointestinal Tract of Rats
J. Agric. Food Chem., 2017, 65 (49), pp 10738–10748
DOI: 10.1021/acs.jafc.7b04120

Chemistry, Antimicrobial Mechanisms, and Antibiotic Activities of Cinnamaldehyde against Pathogenic Bacteria in Animal Feeds and Human Foods
J. Agric. Food Chem., 2017, 65 (48), pp 10406–10423
DOI: 10.1021/acs.jafc.7b04344

Bioactive Compounds of Edible Purple Laver Porphyra sp. (Nori)
J. Agric. Food Chem., 2017, 65 (49), pp 10685–10692
DOI: 10.1021/acs.jafc.7b04688

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Journal of Chemical & Engineering Data

Vapor Pressure Osmometry, Volumetry, and Compressibility Properties for Solutions of Several Imidazolium Based Ionic Liquids in (Glycine + Water) Solutions
J. Chem. Eng. Data, 2017, 62 (12), pp 4073–4082
DOI: 10.1021/acs.jced.7b00297

Vapor Pressures and Thermophysical Properties of Ethylene Carbonate, Propylene Carbonate, γ-Valerolactone, and γ-Butyrolactone
J. Chem. Eng. Data, 2017, 62 (12), pp 4174–4186
DOI: 10.1021/acs.jced.7b00578

Modeling Multiple Chemical Equilibrium in Single-Stage Extraction of Atenolol Enantiomers with Tartrate and Boric Acid as Chiral Selector
J. Chem. Eng. Data, 2017, 62 (12), pp 4344–4355
DOI: 10.1021/acs.jced.7b00698

Effect of HFC-134a as a Promoter of CO2 Hydrate: Phase Equilibrium, Dissociation Enthalpy and Kinetics
J. Chem. Eng. Data, 2017, 62 (12), pp 4395–4400
DOI: 10.1021/acs.jced.7b00756

Densities and Viscosities for Binary Liquid Mixtures of Butan-1-ol + Propane-1,2-diol, + Butane-1,2-diol and 2-Methylpropan-1-ol + Propane-1,2-diol, + Butane-1,2-diol from 298.15 to 333.15 K at 0.1 MPa
J. Chem. Eng. Data, 2017, 62 (12), pp 4252–4265
DOI: 10.1021/acs.jced.7b00621

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Journal of Chemical Information and Modeling

Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations
Open access through Editors’ Choice
J. Chem. Inf. Model., 2017, 57 (12), pp 2911–2937
DOI: 10.1021/acs.jcim.7b00564

Identification of Conserved Water Sites in Protein Structures for Drug Design
J. Chem. Inf. Model., 2017, 57 (12), pp 3094–3103
DOI: 10.1021/acs.jcim.7b00443

Bioisostere Identification by Determining the Amino Acid Binding Preferences of Common Chemical Fragments
J. Chem. Inf. Model., 2017, 57 (12), pp 2938–2947
DOI: 10.1021/acs.jcim.7b00092

Searching Online Chemical Data Repositories via the ChemAgora Portal
Open access through ACS AuthorChoice
J. Chem. Inf. Model., 2017, 57 (12), pp 2905–2910
DOI: 10.1021/acs.jcim.7b00086

Demystifying P2Y1 Receptor Ligand Recognition through Docking and Molecular Dynamics Analyses
J. Chem. Inf. Model., 2017, 57 (12), pp 3104–3123
DOI: 10.1021/acs.jcim.7b00528

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Journal of Chemical Theory and Computation

Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (12), pp 6237–6252
DOI: 10.1021/acs.jctc.7b00921

Efficient Construction of Free Energy Profiles of Breathing Metal–Organic Frameworks Using Advanced Molecular Dynamics Simulations
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (12), pp 5861–5873
DOI: 10.1021/acs.jctc.7b01014

Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems
J. Chem. Theory Comput., 2017, 13 (12), pp 5933–5944
DOI: 10.1021/acs.jctc.7b00875

Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping
J. Chem. Theory Comput., 2017, 13 (12), pp 5846–5860
DOI: 10.1021/acs.jctc.7b01000

Alchemical Free Energy Calculations for Nucleotide Mutations in Protein–DNA Complexes
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (12), pp 6275–6289
DOI: 10.1021/acs.jctc.7b00849

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Journal of Medicinal Chemistry

Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH)
Open access through Editors’ Choice
J. Med. Chem., 2017, 60 (24), pp 9960–9973
DOI: 10.1021/acs.jmedchem.7b00907

Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma
J. Med. Chem., 2017, 60 (24), pp 10071–10091
DOI: 10.1021/acs.jmedchem.7b01290

Design of Novel 3-Pyrimidinylazaindole CDK2/9 Inhibitors with Potent In Vitro and In Vivo Antitumor Efficacy in a Triple-Negative Breast Cancer Model
J. Med. Chem., 2017, 60 (23), pp 9470–9489
DOI: 10.1021/acs.jmedchem.7b00663

Structure-Based Design and Biological Characterization of Selective Histone Deacetylase 8 (HDAC8) Inhibitors with Anti-Neuroblastoma Activity
J. Med. Chem., 2017, 60 (24), pp 10188–10204
DOI: 10.1021/acs.jmedchem.7b01447

Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer
J. Med. Chem., 2017, 60 (24), pp 9990–10012
DOI: 10.1021/acs.jmedchem.7b00275

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The Journal of Physical Chemistry A

Is the Supporting Information the Venue for Reproducibility and Transparency?
J. Phys. Chem. A, 2017, 121 (51), pp 9680–9681
DOI: 10.1021/acs.jpca.7b11663

Covalent Bonding in the Hydrogen Molecule
J. Phys. Chem. A, 2017, 121 (48), pp 9330–9345
DOI: 10.1021/acs.jpca.7b08963

Photoinduced Electron Transfer in Naphthalene Diimide End-Capped Thiophene Oligomers
J. Phys. Chem. A, 2017, 121 (50), pp 9579–9588
DOI: 10.1021/acs.jpca.7b09095

What is “New Physical Insight” in Surface Photocatalytic Water Splitting?
J. Phys. Chem. A, 2017, 121 (51), pp 9679–9679
DOI: 10.1021/acs.jpca.7b11305

Seven Chromisms Associated with Dithizone
Open access through ACS AuthorChoice
J. Phys. Chem. A, 2017, 121 (48), pp 9243–9251
DOI: 10.1021/acs.jpca.7b09490

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The Journal of Physical Chemistry B

Computation of Hemagglutinin Free Energy Difference by the Confinement Method
Open access through ACS AuthorChoice
J. Phys. Chem. B, 2017, 121 (50), pp 11292–11303
DOI: 10.1021/acs.jpcb.7b09699

Pitch and Handedness of the Cholesteric Order in Films of a Chiral Alternating Fluorene Copolymer
Open access through ACS AuthorChoice
J. Phys. Chem. B, 2017, 121 (51), pp 11520–11527
DOI: 10.1021/acs.jpcb.7b10236

Unwinding Induced Melting of Double-Stranded DNA Studied by Free Energy Simulations
Open access through ACS Editors’ Choice
J. Phys. Chem. B, 2017, 121 (49), pp 11019–11030
DOI: 10.1021/acs.jpcb.7b07701

Ab Initio Simulations of Water Dynamics in Aqueous TMAO Solutions: Temperature and Concentration Effects
J. Phys. Chem. B, 2017, 121 (49), pp 11189–11197
DOI: 10.1021/acs.jpcb.7b09989

Understanding the Inhibiting Effect of Small-Molecule Hydrogen Bond Donors on the Solubility of Cellulose in Tetrabutylammonium Acetate/DMSO
Open access through ACS AuthorChoice
J. Phys. Chem. B, 2017, 121 (50), pp 11241–11248
DOI: 10.1021/acs.jpcb.7b08501

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The Journal of Physical Chemistry C

Carbon Dots from a Single Source Exhibiting Tunable Luminescent Colors through the Modification of Surface Functional Groups in ORMOSIL Films
Open access through ACS AuthorChoice
J. Phys. Chem. C, 2017, 121 (50), pp 28106–28116
DOI: 10.1021/acs.jpcc.7b08039

Efficient and Stable Pure Green All-Inorganic Perovskite CsPbBr3 Light-Emitting Diodes with a Solution-Processed NiOx Interlayer
J. Phys. Chem. C, 2017, 121 (50), pp 28132–28138
DOI: 10.1021/acs.jpcc.7b11518

Nitrophosphorene: A 2D Semiconductor with Both Large Direct Gap and Superior Mobility
J. Phys. Chem. C, 2017, 121 (51), pp 28520–28526
DOI: 10.1021/acs.jpcc.7b09650

Silicon Anode Design for Lithium-Ion Batteries: Progress and Perspectives
J. Phys. Chem. C, 2017, 121 (50), pp 27775–27787
DOI: 10.1021/acs.jpcc.7b07793

Electrochemical Properties and Redox Mechanism of Na2Ni0.4Co0.6[Fe(CN)6] Nanocrystallites as High-Capacity Cathode for Aqueous Sodium-Ion Batteries
J. Phys. Chem. C, 2017, 121 (50), pp 27805–27812
DOI: 10.1021/acs.jpcc.7b07920

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The Journal of Physical Chemistry Letters

The Mayonnaise Effect
J. Phys. Chem. Lett., 2017, 8 (24), pp 6189–6192
DOI: 10.1021/acs.jpclett.7b03207

Exciton–Exciton Annihilation Is Coherently Suppressed in H-Aggregates, but Not in J-Aggregates
Open access through ACS AuthorChoice
J. Phys. Chem. Lett., 2017, 8 (24), pp 6113–6117
DOI: 10.1021/acs.jpclett.7b02745

Bright Tail States in Blue-Emitting Ultrasmall Perovskite Quantum Dots
J. Phys. Chem. Lett., 2017, 8 (24), pp 6002–6008
DOI: 10.1021/acs.jpclett.7b02786

How Strong Is the Hydrogen Bond in Hybrid Perovskites?
Open access through ACS AuthorChoice
J. Phys. Chem. Lett., 2017, 8 (24), pp 6154–6159
DOI: 10.1021/acs.jpclett.7b03106

Controllable Synthesis of Two-Dimensional Ruddlesden–Popper-Type Perovskite Heterostructures
J. Phys. Chem. Lett., 2017, 8 (24), pp 6211–6219
DOI: 10.1021/acs.jpclett.7b02843

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Journal of Proteome Research

Progress and Future Direction of Chromosome-Centric Human Proteome Project
This article is part of the Chromosome-Centric Human Proteome Project 2017 special issue.
J. Proteome Res., 2017, 16 (12), pp 4253–4258
DOI: 10.1021/acs.jproteome.7b00734

Proteomics Standards Initiative: Fifteen Years of Progress and Future Work
This article is part of the Chromosome-Centric Human Proteome Project 2017 special issue.
J. Proteome Res., 2017, 16 (12), pp 4288–4298
DOI: 10.1021/acs.jproteome.7b00370

Quality Assessments of Long-Term Quantitative Proteomic Analysis of Breast Cancer Xenograft Tissues
This article is part of the Chromosome-Centric Human Proteome Project 2017 special issue.
J. Proteome Res., 2017, 16 (12), pp 4523–4530
DOI: 10.1021/acs.jproteome.7b00362

The Human Plasma Proteome Draft of 2017: Building on the Human Plasma PeptideAtlas from Mass Spectrometry and Complementary Assays
This article is part of the Chromosome-Centric Human Proteome Project 2017 special issue.
J. Proteome Res., 2017, 16 (12), pp 4299–4310
DOI: 10.1021/acs.jproteome.7b00467

Synaptosomal Proteome of the Orbitofrontal Cortex from Schizophrenia Patients Using Quantitative Label-Free and iTRAQ-Based Shotgun Proteomics
This article is part of the Chromosome-Centric Human Proteome Project 2017 special issue.
J. Proteome Res., 2017, 16 (12), pp 4481–4494
DOI: 10.1021/acs.jproteome.7b00422

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Molecular Pharmaceutics

Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets
Mol. Pharmaceutics, 2017, 14 (12), pp 4462–4475
DOI: 10.1021/acs.molpharmaceut.7b00578

Industry–Academic Collaboration in Oral Biopharmaceutics: The European IMI OrBiTo Project
This article is part of the Industry-Academic Collaboration in Oral Biopharmaceutics: The European IMI OrBiTo Project special issue.
Mol. Pharmaceutics, 2017, 14 (12), pp 4129–4131
DOI: 10.1021/acs.molpharmaceut.7b00940

Influence of Physiological Gastrointestinal Surfactant Ratio on the Equilibrium Solubility of BCS Class II Drugs Investigated Using a Four Component Mixture Design
Open access through ACS AuthorChoice
This article is part of the Industry-Academic Collaboration in Oral Biopharmaceutics: The European IMI OrBiTo Project special issue.
Mol. Pharmaceutics, 2017, 14 (12), pp 4132–4144
DOI: 10.1021/acs.molpharmaceut.7b00354

Impact of the US FDA “Biopharmaceutics Classification System” (BCS) Guidance on Global Drug Development
Mol. Pharmaceutics, 2017, 14 (12), pp 4334–4338
DOI: 10.1021/acs.molpharmaceut.7b00687

Model-Based Analysis of Biopharmaceutic Experiments To Improve Mechanistic Oral Absorption Modeling: An Integrated in Vitro in Vivo Extrapolation Perspective Using Ketoconazole as a Model Drug
Open access through ACS AuthorChoice
Mol. Pharmaceutics, 2017, 14 (12), pp 4305–4320
DOI: 10.1021/acs.molpharmaceut.7b00406

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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 (12), pp 1873–1883
DOI: 10.1021/acs.oprd.7b00371

Sodium Hypochlorite Pentahydrate Crystals (NaOCl·5H2O): A Convenient and Environmentally Benign Oxidant for Organic Synthesis
Open access through ACS AuthorChoice
Org. Process Res. Dev., 2017, 21 (12), pp 1925–1937
DOI: 10.1021/acs.oprd.7b00288

Regulatory Highlights
Org. Process Res. Dev., 2017, 21 (12), pp 1884–1888
DOI: 10.1021/acs.oprd.7b0037

Investigation of the Stereoselective Synthesis of the Indane Dimer PH46A, a New Potential Anti-inflammatory Agent
Org. Process Res. Dev., 2017, 21 (12), pp 1972–1979
DOI: 10.1021/acs.oprd.7b002582

Continuous-Flow Preparation of γ-Butyrolactone Scaffolds from Renewable Fumaric and Itaconic Acids under Photosensitized Conditions
Org. Process Res. Dev., 2017, 21 (12), pp 2012–2017
DOI: 10.1021/acs.oprd.7b00314

 

 

 

 

 

 

 

 

 

 

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