Discover the Most-Read Applied Chemistry Articles of November 2017

What were chemists reading in November 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 November 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 November 2017 Chemistry Research:

Analytical Chemistry | Biological Chemistry | Materials Science & Engineering | Multidisciplinary Chemistry | Organic/Inorganic Chemistry | Physical Chemistry

***

ACS Applied Materials & Interfaces

Highly Flexible and Sensitive Wearable E-Skin Based on Graphite Nanoplatelet and Polyurethane Nanocomposite Films in Mass Industry Production Available
ACS Appl. Mater. Interfaces, 2017, 9 (44), pp 38745–38754
DOI: 10.1021/acsami.7b10316

Nanopatterning of a Stimuli-Responsive Fluorescent Supramolecular Polymer by Thermal Scanning Probe Lithography
ACS Appl. Mater. Interfaces, 2017, 9 (47), pp 41454–41461
DOI: 10.1021/acsami.7b13672

Transition-Metal Phosphide–Carbon Nanosheet Composites Derived from Two-Dimensional Metal-Organic Frameworks for Highly Efficient Electrocatalytic Water-Splitting
ACS Appl. Mater. Interfaces, 2017, 9 (46), pp 40171–40179
DOI: 10.1021/acsami.7b10680

BODIPYs for Dye-Sensitized Solar Cells
Open access through ACS AuthorChoice
ACS Appl. Mater. Interfaces, 2017, 9 (46), pp 39873–39889
DOI: 10.1021/acsami.7b07688

Smart Antibacterial Surfaces with Switchable Bacteria-Killing and Bacteria-Releasing Capabilities
ACS Appl. Mater. Interfaces, 2017, 9 (43), pp 37511–37523
DOI: 10.1021/acsami.7b13565

***

ACS Biomaterials Science & Engineering

Integrated Multiscale Biomaterials Experiment and Modeling
This article is part of the Multiscale Biological Materials and Systems: Integration of Experiment, Modeling, and Theory special issue.
ACS Biomater. Sci. Eng., 2017, 3 (11), pp 2628–2632
DOI: 10.1021/acsbiomaterials.7b00821

Effects of Inflammation on Multiscale Biomechanical Properties of Cartilaginous Cells and Tissues
Open access through ACS AuthorChoice
ACS Biomater. Sci. Eng., 2017, 3 (11), pp 2644–2656
DOI: 10.1021/acsbiomaterials.6b00671

3D Bioprinting: New Directions in Articular Cartilage Tissue Engineering
ACS Biomater. Sci. Eng., 2017, 3 (11), pp 2657–2668
DOI: 10.1021/acsbiomaterials.6b00587

Mechanically and Electrically Enhanced CNT–Collagen Hydrogels As Potential Scaffolds for Engineered Cardiac Constructs
ACS Biomater. Sci. Eng., 2017, 3 (11), pp 3017–3021
DOI: 10.1021/acsbiomaterials.6b00620

Orthopedic Interface Repair Strategies Based on Native Structural and Mechanical Features of the Multiscale Enthesis
ACS Biomater. Sci. Eng., 2017, 3 (11), pp 2633–2643
DOI: 10.1021/acsbiomaterials.6b00599

***

ACS Combinatorial Science

Microwave-Assisted Regioselective Synthesis of 3-Functionalized Indole Derivatives via Three-Component Domino Reaction
ACS Comb. Sci., 2017, 19 (11), pp 708–713
DOI: 10.1021/acscombsci.7b00126

Parallel Synthesis of 1H-Pyrazolo[3,4-d]pyrimidines via Condensation of N-Pyrazolylamides and Nitriles
ACS Comb. Sci., 2017, 19 (11), pp 675–680
DOI: 10.1021/acscombsci.7b00116

Skeletal Diversity in Combinatorial Fashion: A New Format for the Castagnoli–Cushman Reaction
ACS Comb. Sci., 2017, 19 (11), pp 702–707
DOI: 10.1021/acscombsci.7b00118

Library Design-Facilitated High-Throughput Sequencing of Synthetic Peptide Libraries
ACS Comb. Sci., 2017, 19 (11), pp 694–701
DOI: 10.1021/acscombsci.7b00109

How Many Bulk Metallic Glasses Are There?
ACS Comb. Sci., 2017, 19 (11), pp 687–693
DOI: 10.1021/acscombsci.7b00048

***

ACS Energy Letters

Evaluating the Potential of Platooning in Lowering the Required Performance Metrics of Li-Ion Batteries to Enable Practical Electric Semi-Trucks
ACS Energy Lett., 2017, 2 (11), pp 2642–2646
DOI: 10.1021/acsenergylett.7b01022

Perovskite Solar Cells on Their Way to the Market
ACS Energy Lett., 2017, 2 (11), pp 2640–2641
DOI: 10.1021/acsenergylett.7b01038

Perovskite Photovoltaics: The Path to a Printable Terawatt-Scale Technology
ACS Energy Lett., 2017, 2 (11), pp 2540–2544
DOI: 10.1021/acsenergylett.7b00964

Promising Routes to a High Li+ Transference Number Electrolyte for Lithium Ion Batteries
ACS Energy Lett., 2017, 2 (11), pp 2563–2575
DOI: 10.1021/acsenergylett.7b00792

A Conversation with Henry Snaith
ACS Energy Lett., 2017, 2 (11), pp 2552–2554
DOI: 10.1021/acsenergylett.7b00979

***

ACS Infectious Diseases

Rigid Oxazole Acinetobactin Analog Blocks Siderophore Cycling in Acinetobacter baumannii
ACS Infect. Dis., 2017, 3 (11), pp 802–806
DOI: 10.1021/acsinfecdis.7b00146

Small-Molecule Potentiators for Conventional Antibiotics against Staphylococcus aureus
ACS Infect. Dis., 2017, 3 (11), pp 780–796
DOI: 10.1021/acsinfecdis.7b00084

Daptomycin Pore Formation Is Restricted by Lipid Acyl Chain Composition
ACS Infect. Dis., 2017, 3 (11), pp 797–801
DOI: 10.1021/acsinfecdis.7b00138

Reversibility of Covalent, Broad-Spectrum Serine β-Lactamase Inhibition by the Diazabicyclooctenone ETX2514
ACS Infect. Dis., 2017, 3 (11), pp 833–844
DOI: 10.1021/acsinfecdis.7b00113

Pyrazinoic Acid Inhibits Mycobacterial Coenzyme A Biosynthesis by Binding to Aspartate Decarboxylase PanD
Open access through ACS AuthorChoice
ACS Infect. Dis., 2017, 3 (11), pp 807–819
DOI: 10.1021/acsinfecdis.7b00079

***

ACS Medicinal Chemistry Letters

Selective Estrogen Receptor Degraders (SERDs): A Promising Treatment to Overcome Resistance to Endocrine Therapy in ERα-Positive Breast Cancer
ACS Med. Chem. Lett., 2017, 8 (11), pp 1129–1131
DOI: 10.1021/acsmedchemlett.7b00424

Selective Inhibitors of Phosphodiesterase 4B (PDE-4B) May Provide a Better Treatment for CNS, Metabolic, Autoimmune, and Inflammatory Diseases
ACS Med. Chem. Lett., 2017, 8 (11), pp 1132–1133
DOI: 10.1021/acsmedchemlett.7b00425

Lysine-Specific Demethylase 1 (LSD1) Inhibitors as Potential Treatment for Different Types of Cancers
ACS Med. Chem. Lett., 2017, 8 (11), pp 1134–1135
DOI: 10.1021/acsmedchemlett.7b00426

Discovery of Indolinone-Based Multikinase Inhibitors as Potential Therapeutics for Idiopathic Pulmonary Fibrosis
ACS Med. Chem. Lett., 2017, 8 (11), pp 1142–1147
DOI: 10.1021/acsmedchemlett.7b00164

Benzoxaboroles as Efficient Inhibitors of the β-Carbonic Anhydrases from Pathogenic Fungi: Activity and Modeling Study
ACS Med. Chem. Lett., 2017, 8 (11), pp 1194–1198
DOI: 10.1021/acsmedchemlett.7b00369

***

ACS Sensors

Medical Sensors for the Diagnosis and Management of Disease: The Physician Perspective
ACS Sens., 2017, 2 (11), pp 1549–1552
DOI: 10.1021/acssensors.7b00642

UV-Activated MoS2 Based Fast and Reversible NO2 Sensor at Room Temperature
ACS Sens., 2017, 2 (11), pp 1744–1752
DOI: 10.1021/acssensors.7b00731

Preparation of an Efficient Ratiometric Fluorescent Nanoprobe (m-CDs@[Ru(bpy)3]2+) for Visual and Specific Detection of Hypochlorite on Site and in Living Cells
ACS Sens., 2017, 2 (11), pp 1684–1691
DOI: 10.1021/acssensors.7b00601

Structural Disruption of an Adenosine-Binding DNA Aptamer on Graphene: Implications for Aptasensor Design
Open Access Through ACS AuthorChoice
ACS Sens., 2017, 2 (11), pp 1602–1611
DOI: 10.1021/acssensors.7b00435

Redox-Triggered Bonding-Induced Emission of Thiol-Functionalized Gold Nanoclusters for Luminescence Turn-On Detection of Molecular Oxygen
ACS Sens., 2017, 2 (11), pp 1692–1699
DOI: 10.1021/acssensors.7b00643

***

ACS Sustainable Chemistry & Engineering

Mass Efficiency of Alkene Syntheses with Tri- and Tetrasubstituted Double Bonds
Open Access Through ACS Editors’ Choice
ACS Sustainable Chem. Eng., 2017, 5 (11), pp 10459–10473
DOI: 10.1021/acssuschemeng.7b02479

Catalytic Depolymerization of Lignin and Woody Biomass in Supercritical Ethanol: Influence of Reaction Temperature and Feedstock
Open access through ACS AuthorChoice
ACS Sustainable Chem. Eng., 2017, 5 (11), pp 10864–10874
DOI: 10.1021/acssuschemeng.7b02790

Fe3O4@Carbon@Polyaniline Trilaminar Core–Shell Composites as Superior Microwave Absorber in Shielding of Electromagnetic Pollution
ACS Sustainable Chem. Eng., 2017, 5 (11), pp 10710–10721
DOI: 10.1021/acssuschemeng.7b02682

Sustainable Ammonia Production
ACS Sustainable Chem. Eng., 2017, 5 (11), pp 9527–9527
DOI: 10.1021/acssuschemeng.7b03719

Magnetic Nanoscale Zerovalent Iron Assisted Biochar: Interfacial Chemical Behaviors and Heavy Metals Remediation Performance
ACS Sustainable Chem. Eng., 2017, 5 (11), pp 9673–9682
DOI: 10.1021/acssuschemeng.7b00542

***

ACS Synthetic Biology

Dynamic Blue Light-Inducible T7 RNA Polymerases (Opto-T7RNAPs) for Precise Spatiotemporal Gene Expression Control
ACS Synth. Biol., 2017, 6 (11), pp 2157–2167
DOI: 10.1021/acssynbio.7b00169

Controlling Bdellovibrio bacteriovorus Gene Expression and Predation Using Synthetic Riboswitches
Open access through ACS AuthorChoice
ACS Synth. Biol., 2017, 6 (11), pp 2035–2041
DOI: 10.1021/acssynbio.7b00171

Bacterial Microcolonies in Gel Beads for High-Throughput Screening of Libraries in Synthetic Biology
ACS Synth. Biol., 2017, 6 (11), pp 1988–1995
DOI: 10.1021/acssynbio.7b00111

The Timing of Transcriptional Regulation in Synthetic Gene Circuits
ACS Synth. Biol., 2017, 6 (11), pp 1996–2002
DOI: 10.1021/acssynbio.7b00118

An Engineered Optogenetic Switch for Spatiotemporal Control of Gene Expression, Cell Differentiation, and Tissue Morphogenesis
ACS Synth. Biol., 2017, 6 (11), pp 2003–2013
DOI: 10.1021/acssynbio.7b00147

***

Analytical Chemistry

Absolute Quantification of Amyloid Propagons by Digital Microfluidics
Open access through ACS Editors’ Choice
Anal. Chem., 2017, 89 (22), pp 12306–12313
DOI: 10.1021/acs.analchem.7b03279

High Throughput Screening Method for Systematic Surveillance of Drugs of Abuse by Multisegment Injection–Capillary Electrophoresis–Mass Spectrometry
Open access through ACS Editors’ Choice
Anal. Chem., 2017, 89 (21), pp 11853–11861
DOI: 10.1021/acs.analchem.7b03590

Label-Free and Nondestructive Separation Technique for Isolation of Targeted DNA from DNA–Protein Mixture Using Magnetic Au–Fe3O4 Nanoprobes
Anal. Chem., 2017, 89 (22), pp 12244–12251
DOI: 10.1021/acs.analchem.7b03095

Visual, Label-Free Telomerase Activity Monitor via Enzymatic Etching of Gold Nanorods
Anal. Chem., 2017, 89 (22), pp 12094–12100
DOI: 10.1021/acs.analchem.7b02608

Nanoscale Zeolitic Imidazolate Framework-8 for Ratiometric Fluorescence Imaging of MicroRNA in Living Cells
Anal. Chem., 2017, 89 (22), pp 12351–12359
DOI: 10.1021/acs.analchem.7b03369

***

Chemical Research in Toxicology

Red Clover Aryl Hydrocarbon Receptor (AhR) and Estrogen Receptor (ER) Agonists Enhance Genotoxic Estrogen Metabolism
Open Access Through ACS AuthorChoice
Chem. Res. Toxicol., 2017, 30 (11), pp 2084–2092
DOI: 10.1021/acs.chemrestox.7b00237

Correction to A Chemoproteomic Platform To Assess Bioactivation Potential of Drugs
Chem. Res. Toxicol., 2017, 30 (11), pp 2093–2093
DOI: 10.1021/acs.chemrestox.7b00297

Predicting Organ Toxicity Using in Vitro Bioactivity Data and Chemical Structure
Chem. Res. Toxicol., 2017, 30 (11), pp 2046–2059
DOI: 10.1021/acs.chemrestox.7b00084

DNA Polymerases: From Molecular Mechanisms to Human Disease, a Special Issue
Chem. Res. Toxicol., 2017, 30 (11), pp 1921–1921
DOI: 10.1021/acs.chemrestox.7b00261

Simultaneous Mass Spectrometric Analysis of Methylated and Ethylated Peptides in Human Hemoglobin: Correlation with Cigarette Smoking
Chem. Res. Toxicol., 2017, 30 (11), pp 2074–2083
DOI: 10.1021/acs.chemrestox.7b00234

***

Crystal Growth & Design

Phase Control of Eu3+-Doped YPO4 Nano-/Microcrystals
Cryst. Growth Des., 2017, 17 (11), pp 5935–5944
DOI: 10.1021/acs.cgd.7b01038

Tetraphenylethylene Immobilized Metal–Organic Frameworks: Highly Sensitive Fluorescent Sensor for the Detection of Cr2O72– and Nitroaromatic Explosives
Cryst. Growth Des., 2017, 17 (11), pp 6041–6048
DOI: 10.1021/acs.cgd.7b01155

Understanding the Inhibiting Effect of BTC on CuBTC Growth through Experiment and Modeling
Cryst. Growth Des., 2017, 17 (11), pp 5603–5607
DOI: 10.1021/acs.cgd.7b00938

Topologically Guided, Automated Construction of Metal–Organic Frameworks and Their Evaluation for Energy-Related Applications
Cryst. Growth Des., 2017, 17 (11), pp 5801–5810
DOI: 10.1021/acs.cgd.7b00848

Out-of-Oblivion Cage Molecules and Their Porous Crystalline Phases
Cryst. Growth Des., 2017, 17 (11), pp 5614–5619
DOI: 10.1021/acs.cgd.7b01095

***

Energy & Fuels

Hydrogen Storage in Formic Acid: A Comparison of Process Options
Energy Fuels, 2017, 31 (11), pp 12603–12611
DOI: 10.1021/acs.energyfuels.7b02997

Visible-Light-Assisted Photocatalytic CO2 Reduction over InTaO4: Selective Methanol Formation
Energy Fuels, 2017, 31 (11), pp 12434–12438
DOI: 10.1021/acs.energyfuels.7b02123

Proof of Concept of High-Temperature Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry for Two-Dimensional Simulated Distillation of Crude Oils
Energy Fuels, 2017, 31 (11), pp 11651–11659
DOI: 10.1021/acs.energyfuels.7b01799

Lignin Alkylation Enhances Enzymatic Hydrolysis of Lignocellulosic Biomass
Energy Fuels, 2017, 31 (11), pp 12317–12326
DOI: 10.1021/acs.energyfuels.7b02405

Analysis of the Geological Conditions for Shale Gas Accumulation: Two Different Carboniferous Marine-Continental Transitional Facies in the Bayanhot Basin, China
Energy Fuels, 2017, 31 (11), pp 11515–11522
DOI: 10.1021/acs.energyfuels.7b00611

***

Environmental Science & Technology

Toward a Comprehensive Strategy to Mitigate Dissemination of Environmental Sources of Antibiotic Resistance
Environ. Sci. Technol., 2017, 51 (22), pp 13061–13069
DOI: 10.1021/acs.est.7b03623

Environmental Science & Technology Presents the 2017 Reviewer Awards
Environ. Sci. Technol., 2017, 51 (21), pp 12047–12048
DOI: 10.1021/acs.est.7b05472

Estimating the High-Arsenic Domestic-Well Population in the Conterminous United States
Open access through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (21), pp 12443–12454
DOI: 10.1021/acs.est.7b02881

Biodegradability of Plastics: Challenges and Misconceptions
Environ. Sci. Technol., 2017, 51 (21), pp 12058–12060
DOI: 10.1021/acs.est.7b04051

Sulfidation of Iron-Based Materials: A Review of Processes and Implications for Water Treatment and Remediation
Open Access Through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (22), pp 13070–13085
DOI: 10.1021/acs.est.7b04177

***

Environmental Science & Technology Letters

Environmental Science & Technology Letters Presents the 2017 Excellence in Review Awards
Environ. Sci. Technol. Lett., 2017, 4 (11), pp 451–451
DOI: 10.1021/acs.estlett.7b00350

A Combined Heat- and Power-Driven Membrane Capacitive Deionization System
Open access through ACS Editors’ Choice
Environ. Sci. Technol. Lett., 2017, 4 (11), pp 470–474
DOI: 10.1021/acs.estlett.7b00395

1,4-Dioxane Biodegradation by Mycobacterium dioxanotrophicus PH-06 Is Associated with a Group-6 Soluble Di-Iron Monooxygenase
Environ. Sci. Technol. Lett., 2017, 4 (11), pp 494–499
DOI: 10.1021/acs.estlett.7b00456

Metal Respiratory Pathway-Independent Cr Isotope Fractionation during Cr(VI) Reduction by Shewanella oneidensis MR-1
Environ. Sci. Technol. Lett., 2017, 4 (11), pp 500–504
DOI: 10.1021/acs.estlett.7b00471

Fractal Dimensions and Mixing Structures of Soot Particles during Atmospheric Processing
Environ. Sci. Technol. Lett., 2017, 4 (11), pp 487–493
DOI: 10.1021/acs.estlett.7b00418

***

Industrial & Engineering Chemistry Research

Preface to the Tapio Salmi Festschrift in Industrial & Engineering Chemistry Research
Ind. Eng. Chem. Res., 2017, 56 (45), pp 12849–12851
DOI: 10.1021/acs.iecr.7b04251

Sulfate-Rich Metal–Organic Framework for High Efficiency and Selective Removal of Barium from Nuclear Wastewater
Ind. Eng. Chem. Res., 2017, 56 (46), pp 13866–13873
DOI: 10.1021/acs.iecr.7b02887

High Performance Fibers from Carbon Nanotubes: Synthesis, Characterization, and Applications in Composites—A Review
Ind. Eng. Chem. Res., 2017, 56 (44), pp 12407–12437
DOI: 10.1021/acs.iecr.7b02269

Specific Recovery and In Situ Reduction of Precious Metals from Waste To Create MOF Composites with Immobilized Nanoclusters
Ind. Eng. Chem. Res., 2017, 56 (47), pp 13975–13982
DOI: 10.1021/acs.iecr.7b02839

A Benzothiazole-Based Fluorescent Probe for Ratiometric Detection of Al3+ in Aqueous Medium and Living Cells
Ind. Eng. Chem. Res., 2017, 56 (43), pp 12267–12275
DOI: 10.1021/acs.iecr.7b02979

***

Journal of Agricultural and Food Chemistry

Effectiveness of Commercial and Homemade Washing Agents in Removing Pesticide Residues on and in Apples
J. Agric. Food Chem., 2017, 65 (44), pp 9744–9752
DOI: 10.1021/acs.jafc.7b03118

An Endocannabinoid Uptake Inhibitor from Black Pepper Exerts Pronounced Anti-Inflammatory Effects in Mice
Open access through ACS Editors’ Choice
J. Agric. Food Chem., 2017, 65 (43), pp 9435–9442
DOI: 10.1021/acs.jafc.7b02979

Identification of Lipid Biomarkers To Discriminate between the Different Production Systems for Asiago PDO Cheese
Open Access Through ACS AuthorChoice
J. Agric. Food Chem., 2017, 65 (45), pp 9887–9892
DOI: 10.1021/acs.jafc.7b03629

Do We No Longer Need To Worry about Dietary Cholesterol?
J. Agric. Food Chem., 2017, 65 (46), pp 9931–9933
DOI: 10.1021/acs.jafc.7b04829

Benzoyl Peroxide Detection in Real Samples and Zebrafish Imaging by a Designed Near-Infrared Fluorescent Probe
J. Agric. Food Chem., 2017, 65 (43), pp 9553–9558
DOI: 10.1021/acs.jafc.7b03598

***

Journal of Chemical & Engineering Data

Thermophysical Properties and Solubility of Different Sugar-Derived Molecules in Deep Eutectic Solvents
J. Chem. Eng. Data, 2017, 62 (11), pp 3633–3641
DOI: 10.1021/acs.jced.7b00184

Isobaric Vapor–Liquid Equilibrium for the Binary Systems of Sec-butyl Acetate and Ethanol, 1-Propanol, or 2-Propanol at 101.3 kPa
J. Chem. Eng. Data, 2017, 62 (11), pp 3697–3702
DOI: 10.1021/acs.jced.7b00445

Density, Viscosity, and Vapor–Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
J. Chem. Eng. Data, 2017, 62 (11), pp 3642–3650
DOI: 10.1021/acs.jced.7b00344

Retraction of “Palladium(II) Complexes Containing Dipicolinic Acid (DPA), Iminodiacetic Acid (IDA), and Various Biologically Important Ligands”
J. Chem. Eng. Data, 2017, 62 (11), pp 4045–4045
DOI: 10.1021/acs.jced.7b00895

Isothermal Vapor–Liquid Equilibria for Binary Mixtures of Methyl Nonafluorobutyl Ether + Acetone, Cyclopentyl Methyl Ether, Ethyl Acetate, n-Heptane, Methanol, and Toluene
J. Chem. Eng. Data, 2017, 62 (11), pp 3878–3888
DOI: 10.1021/acs.jced.7b00599

***

Journal of Chemical Information and Modeling

Virtual Exploration of the Ring Systems Chemical Universe
Open Access Through ACS Editors’ Choice
J. Chem. Inf. Model., 2017, 57 (11), pp 2707–2718
DOI: 10.1021/acs.jcim.7b00457

Interpretation of Quantitative Structure–Activity Relationship Models: Past, Present, and Future
J. Chem. Inf. Model., 2017, 57 (11), pp 2618–2639
DOI: 10.1021/acs.jcim.7b00274

Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction
J. Chem. Inf. Model., 2017, 57 (11), pp 2672–2685
DOI: 10.1021/acs.jcim.7b00244

Benchmarking Commercial Conformer Ensemble Generators
J. Chem. Inf. Model., 2017, 57 (11), pp 2719–2728
DOI: 10.1021/acs.jcim.7b00505

Benchmarking Commercial Conformer Ensemble Generators
J. Chem. Inf. Model., 2017, 57 (11), pp 2719–2728
DOI: 10.1021/acs.jcim.7b00505

***

Journal of Chemical Theory and Computation

Cheap and Near Exact CASSCF with Large Active Spaces
Open access through ACS Editors’ Choice
J. Chem. Theory Comput., 2017, 13 (11), pp 5468–5478
DOI: 10.1021/acs.jctc.7b00900

Unifying Exchange Sensitivity in Transition-Metal Spin-State Ordering and Catalysis through Bond Valence Metrics
J. Chem. Theory Comput., 2017, 13 (11), pp 5443–5457
DOI: 10.1021/acs.jctc.7b00848

Automated Transition State Search and Its Application to Diverse Types of Organic Reactions
J. Chem. Theory Comput., 2017, 13 (11), pp 5780–5797
DOI: 10.1021/acs.jctc.7b00764

Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error
J. Chem. Theory Comput., 2017, 13 (11), pp 5255–5264
DOI: 10.1021/acs.jctc.7b00577

Evaluation of the Factors Impacting the Accuracy of 13C NMR Chemical Shift Predictions using Density Functional Theory—The Advantage of Long-Range Corrected Functionals
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (11), pp 5798–5819
DOI: 10.1021/acs.jctc.7b00772

***

Journal of Medicinal Chemistry

Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH)
J. Med. Chem., 2017, 60 (22), pp 9184–9204
DOI: 10.1021/acs.jmedchem.7b00941

Structure-Based Design and Discovery of New M2 Receptor Agonists
J. Med. Chem., 2017, 60 (22), pp 9239–9250
DOI: 10.1021/acs.jmedchem.7b01113

Synthesis, Pharmacology, and Molecular Docking Studies on 6-Desoxo-N-methylmorphinans as Potent μ-Opioid Receptor Agonists
Open Access Through ACS AuthorChoice
J. Med. Chem., 2017, 60 (22), pp 9407–9412
DOI: 10.1021/acs.jmedchem.7b01363

Thiazolino 2-Pyridone Amide Isosteres As Inhibitors of Chlamydia trachomatis Infectivity
J. Med. Chem., 2017, 60 (22), pp 9393–9399
DOI: 10.1021/acs.jmedchem.7b00716

Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design
Open Access Through ACS Editors’ Choice
J. Med. Chem., 2017, 60 (21), pp 8708–8715
DOI: 10.1021/acs.jmedchem.7b00845

***

The Journal of Physical Chemistry A

Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists
J. Phys. Chem. A, 2017, 121 (43), pp 8185–8187
DOI: 10.1021/acs.jpca.7b0965

Not Physical Chemistry (in the Eyes of the Journal of Physical Chemistry)
J. Phys. Chem. A, 2017, 121 (43), pp 8188–8188
DOI: 10.1021/acs.jpca.7b09596

Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure–Property Relationships
J. Phys. Chem. A, 2017, 121 (46), pp 8939–8954
DOI: 10.1021/acs.jpca.7b087504

Reply to “Comment on ‘Reactivity of Ketyl and Acetyl Radicals from Direct Solar Actinic Photolysis of Aqueous Pyruvic Acid’”
J. Phys. Chem. A, 2017, 121 (45), pp 8741–8744
DOI: 10.1021/acs.jpca.7b08273

pH Dependence of the Aqueous Photochemistry of α-Keto Acids
Open Access Through ACS AuthorChoice
J. Phys. Chem. A, 2017, 121 (44), pp 8368–8379
DOI: 10.1021/acs.jpca.7b08192

***

The Journal of Physical Chemistry B

Not Physical Chemistry (in the Eyes of the Journal of Physical Chemistry)
J. Phys. Chem. B, 2017, 121 (44), pp 10199–10199
DOI: 10.1021/acs.jpcb.7b09460

Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists
J. Phys. Chem. B, 2017, 121 (43), pp 9983–9985
DOI: 10.1021/acs.jpcb.7b09653

The Hydrophobic Effect and the Role of Cosolvents
Open Access Through ACS Editors’ Choice
J. Phys. Chem. B, 2017, 121 (43), pp 9986–9998
DOI: 10.1021/acs.jpcb.7b06453

Free-Energy Surface Prediction by Flying Gaussian Method: Multisystem Representation
J. Phys. Chem. B, 2017, 121 (46), pp 10479–10483
DOI: 10.1021/acs.jpcb.7b09337
Ab Initio Molecular Dynamics Simulation of the Phosphate Ion in Water: Insights into Solvation Shell Structure, Dynamics, and Kosmotropic Activity
J. Phys. Chem. B, 2017, 121 (46), pp 10519–10529
DOI: 10.1021/acs.jpcb.7b06091

***

The Journal of Physical Chemistry C

Sequential-Optimization-Based Framework for Robust Modeling and Design of Heterogeneous Catalytic Systems
Open Access Through ACS Editors’ Choice
J. Phys. Chem. C,    2017, 121 (46), pp 25847–25863
DOI: 10.1021/acs.jpcc.7b08089

Methane Adsorption in Zr-Based MOFs: Comparison and Critical Evaluation of Force Fields
Open access through ACS AuthorChoice
J. Phys. Chem. C, 2017, 121 (45), pp 25309–25322
DOI: 10.1021/acs.jpcc.7b08971

Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists
J. Phys. Chem. C, 2017, 121 (43), pp 23849–23851
DOI: 10.1021/acs.jpcc.7b09651

Interconversion between Free Charges and Bound Excitons in 2D Hybrid Lead Halide Perovskites
Open access through ACS AuthorChoice
J. Phys. Chem. C, 2017, 121 (47), pp 26566–26574
DOI: 10.1021/acs.jpcc.7b10705

Photon Energy-Dependent Hysteresis Effects in Lead Halide Perovskite Materials
Open Access Through ACS AuthorChoice
J. Phys. Chem. C, 2017, 121 (47), pp 26180–26187
DOI: 10.1021/acs.jpcc.7b06775

***

The Journal of Physical Chemistry Letters

Size-Dependent Level Alignment between Rutile and Anatase TiO2 Nanoparticles: Implications for Photocatalysis
J. Phys. Chem. Lett., 2017, 8 (22), pp 5593–5598
DOI: 10.1021/acs.jpclett.7b02474

Transfer of Inorganic-Capped Nanocrystals into Aqueous Media
J. Phys. Chem. Lett., 2017, 8 (22), pp 5573–5578
DOI: 10.1021/acs.jpclett.7b02319

Probing the OH Stretch in Different Local Environments in Liquid Water
J. Phys. Chem. Lett., 2017, 8 (22), pp 5487–5491
DOI: 10.1021/acs.jpclett.7b02060

Direct Mapping of Band Positions in Doped and Undoped Hematite during Photoelectrochemical Water SplittingJ. Phys. Chem. Lett., 2017, 8 (22), pp 5579–5586

DOI: 10.1021/acs.jpclett.7b02548

Biological Molecules-Governed Plasmonic Nanoparticle Dimers with Tailored Optical Behaviors
J. Phys. Chem. Lett., 2017, 8 (22), pp 5633–5642
DOI: 10.1021/acs.jpclett.7b01781

***

Journal of Proteome Research

Evaluation of FASP, SP3, and iST Protocols for Proteomic Sample Preparation in the Low Microgram Range
J. Proteome Res., 2017, 16 (11), pp 4060–4072
DOI: 10.1021/acs.jproteome.7b00433

Experimental Design in Clinical ‘Omics Biomarker Discovery
Open access through ACS AuthorChoice
J. Proteome Res., 2017, 16 (11), pp 3954–3960
DOI: 10.1021/acs.jproteome.7b00418

Innovations in Publishing: Prepublication of Manuscripts on Preprint Servers
J. Proteome Res., 2017, 16 (11), pp 3953–3953
DOI: 10.1021/acs.jproteome.7b00674

Sensitive and Accurate Quantitation of Phosphopeptides Using TMT Isobaric Labeling Technique
J. Proteome Res., 2017, 16 (11), pp 4244–4252
DOI: 10.1021/acs.jproteome.7b00610

Unrestricted Mass Spectrometric Data Analysis for Identification, Localization, and Quantification of Oxidative Protein Modifications
J. Proteome Res., 2017, 16 (11), pp 3978–3988
DOI: 10.1021/acs.jproteome.7b00330

***

Molecular Pharmaceutics

Multidrug, Anti-HIV Amorphous Solid Dispersions: Nature and Mechanisms of Impacts of Drugs on Each Other’s Solution Concentrations
Open access through ACS AuthorChoice
Mol. Pharmaceutics, 2017, 14 (11), pp 3617–3627
DOI: 10.1021/acs.molpharmaceut.7b00203

Cleavable Multifunctional Targeting Mixed Micelles with Sequential pH-Triggered TAT Peptide Activation for Improved Antihepatocellular Carcinoma Efficacy
Mol. Pharmaceutics, 2017, 14 (11), pp 3644–3659
DOI: 10.1021/acs.molpharmaceut.7b00404

Reduction-sensitive Paclitaxel Prodrug Self-assembled Nanoparticles with Tetrandrine Effectively Promote Synergistic Therapy Against Drug-sensitive and Multidrug-resistant Breast Cancer
Mol. Pharmaceutics, 2017, 14 (11), pp 3628–3635
DOI: 10.1021/acs.molpharmaceut.7b00381

Lymphoma Immunochemotherapy: Targeted Delivery of Doxorubicin via a Dual Functional Nanocarrier
Mol. Pharmaceutics, 2017, 14 (11), pp 3888–3895
DOI: 10.1021/acs.molpharmaceut.7b00606

Receptor-Mediated Attachment and Uptake of Hyaluronan Conjugates by Breast Cancer Cells
Mol. Pharmaceutics, 2017, 14 (11), pp 3968–3977
DOI: 10.1021/acs.molpharmaceut.7b00636

***

Organic Process Research & Development

Some Items of Interest to Process R&D Chemists and Engineers
Org. Process Res. Dev., 2017, 21 (11), pp 1695–1704
DOI: 10.1021/acs.oprd.7b00338

Practical Asymmetric Synthesis of a Calcitonin Gene-Related Peptide (CGRP) Receptor Antagonist Ubrogepant
Org. Process Res. Dev., 2017, 21 (11), pp 1851–1858
DOI: 10.1021/acs.oprd.7b00293

Match-Making Reactors to Chemistry: A Continuous Manufacturing-Enabled Sequence to a Key Benzoxazole Pharmaceutical Intermediate
Open access through ACS Editors’ Choice
Org. Process Res. Dev., 2017, 21 (11), pp 1779–1793
DOI: 10.1021/acs.oprd.7b00254

Synthetic Story of a Blockbuster Drug: Reboxetine, a Potent Selective Norepinephrine Reuptake Inhibitor
Org. Process Res. Dev., 2017, 21 (11), pp 1705–1731
DOI: 10.1021/acs.oprd.7b00265

Old is Gold? Nefopam Hydrochloride, a Non-opioid and Non-steroidal Analgesic Drug and Its Practical One-Pot Synthesis in a Single Solvent for Large-Scale Production
Org. Process Res. Dev., 2017, 21 (11), pp 1745–1751
DOI: 10.1021/acs.oprd.7b00228

***

 

 

 

 

 

Get stories like this one in your inbox every month. Sign up for a custom newsletter from ACS Axial.

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