Here, we discover the most-read applied chemistry articles across ACS journals in October 2018, including research, reviews, perspectives, and editorial pieces.
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 October 2018, 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, but as another perspective on where the chemistry community allocated their attention.
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Read more of October’s most-read articles: Analytical | Applied | Biological | Materials Science & Engineering | Multidisciplinary | Organic/Inorganic | Physical
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ACS Applied Materials & Interfaces
Comparisons between Graphene Oxide and Graphdiyne Oxide in Physicochemistry Biology and Cytotoxicity
Open access through ACS AuthorChoice
ACS Appl. Mater. Interfaces, 2018, 10 (39), pp 32946–32954
DOI: 10.1021/acsami.8b06804
Ultratough, Self-Healing, and Tissue-Adhesive Hydrogel for Wound Dressing
ACS Appl. Mater. Interfaces, 2018, 10 (39), pp 33523–33531
DOI: 10.1021/acsami.8b10064
Emerging Materials in Heterogeneous Electrocatalysis Involving Oxygen for Energy Harvesting
ACS Appl. Mater. Interfaces, 2018, 10 (40), pp 33737–33767
DOI: 10.1021/acsami.8b09024
Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes
ACS Appl. Mater. Interfaces, 2018, 10 (39), pp 33360–33372
DOI: 10.1021/acsami.8b11136
In Situ Fabrication of a Nickel/Molybdenum Carbide-Anchored N-Doped Graphene/CNT Hybrid: An Efficient (Pre)catalyst for OER and HER
ACS Appl. Mater. Interfaces, 2018, 10 (41), pp 35025–35038
DOI: 10.1021/acsami.8b09941
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ACS Applied Energy Materials
Three-Dimensional Printing of a Complete Lithium Ion Battery with Fused Filament Fabrication
ACS Appl. Energy Mater., 2018, 1 (10), pp 5268–5279
DOI: 10.1021/acsaem.8b00885
Space-Charge Layers in All-Solid-State Batteries; Important or Negligible?
ACS Appl. Energy Mater., 2018, 1 (10), pp 5609–5618
DOI: 10.1021/acsaem.8b01141
Pyrazolium Ionic Liquid Co-catalysts for the Electroreduction of CO2
ACS Appl. Energy Mater., 2018, 1 (10), pp 5124–5128
DOI: 10.1021/acsaem.8b01086
Selective Formation of C2 Products from Electrochemical CO2 Reduction over Cu1.8Se Nanowires
ACS Appl. Energy Mater., 2018, 1 (10), pp 5119–5123
DOI: 10.1021/acsaem.8b00744
Bimetallic Hofmann-Type Metal–Organic Framework Nanoparticles for Efficient Electrocatalysis of Oxygen Evolution Reaction
ACS Appl. Energy Mater., 2018, 1 (10), pp 5140–5144
DOI: 10.1021/acsaem.8b01229
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ACS Applied Nano Materials
The Crystallinity of Nanocellulose: Dispersion-Induced Disordering of the Grain Boundary in Biologically Structured Cellulose
Open access through ACS AuthorChoice
ACS Appl. Nano Mater., 2018, 1 (10), pp 5774–5785
DOI: 10.1021/acsanm.8b01438
Promoting Helix-Rich Structure in Silk Fibroin Films through Molecular Interactions with Carbon Nanotubes and Selective Heating for Transparent Biodegradable Devices
ACS Appl. Nano Mater., 2018, 1 (10), pp 5441–5450
DOI: 10.1021/acsanm.8b00784
Janus Plasmonic Silver Nanoplatelets for Interface Stabilization
ACS Appl. Nano Mater., 2018, 1 (10), pp 5377–5381
DOI: 10.1021/acsanm.8b01141
Preparation of Polyaniline@MoS2@Fe3O4 Nanowires with a Wide Band and Small Thickness toward Enhancement in Microwave Absorption
ACS Appl. Nano Mater., 2018, 1 (10), pp 5865–5875
DOI: 10.1021/acsanm.8b01452
Adhesion and Bactericidal Properties of a Wettability-Controlled Artificial Nanostructure
ACS Appl. Nano Mater., 2018, 1 (10), pp 5736–5741
DOI: 10.1021/acsanm.8b01340
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ACS Biomaterials Science & Engineering
Early Career Board Announcement
ACS Biomater. Sci. Eng., 2018, 4 (10), pp 3450–3450
DOI: 10.1021/acsbiomaterials.8b01125
Gelatin Hydrogel Combined with Polydopamine Coating To Enhance Tissue Integration of Medical Implants
ACS Biomater. Sci. Eng., 2018, 4 (10), pp 3471–3477
DOI: 10.1021/acsbiomaterials.8b00886
Biomimetic Bacterial Cellulose-Enhanced Double-Network Hydrogel with Excellent Mechanical Properties Applied for the Osteochondral Defect Repair
ACS Biomater. Sci. Eng., 2018, 4 (10), pp 3534–3544
DOI: 10.1021/acsbiomaterials.8b00682
Evaluation of Self-Assembled Glycopeptide Nanofibers Modified with N,N′-Diacetyllactosamine for Selective Galectin-3 Recognition and Inhibition
ACS Biomater. Sci. Eng., 2018, 4 (10), pp 3451–3459
DOI: 10.1021/acsbiomaterials.8b00611
Near-Infrared Light-Triggered Hydrophobic-to-Hydrophilic Switch Nanovalve for On-Demand Cancer Therapy
ACS Biomater. Sci. Eng., 2018, 4 (10), pp 3478–3486
DOI: 10.1021/acsbiomaterials.8b00437
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ACS Combinatorial Science
Competition-Enhanced Ligand Selection to Identify DNA Aptamers
ACS Comb. Sci., 2018, 20 (10), pp 585–593
DOI: 10.1021/acscombsci.8b00048
Ring-Opening of Indoles: An Unconventional Route for the Transformation of Indoles to 1H-Pyrazoles Using Lewis Acid
ACS Comb. Sci., 2018, 20 (10), pp 573–578
DOI: 10.1021/acscombsci.8b00071
Issue Editorial Masthead
ACS Comb. Sci., 2018, 20 (10),
DOI: 10.1021/cov020i010_1224796
Overcoming Site Heterogeneity In Search of Metal Nanocatalysts
ACS Comb. Sci., 2018, 20 (10), pp 567–572
DOI: 10.1021/acscombsci.8b00070
An Engineered Sso7d Variant Enables Efficient Magnetization of Yeast Cells
ACS Comb. Sci., 2018, 20 (10), pp 579–584
DOI: 10.1021/acscombsci.8b00084
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ACS Energy Letters
What Else Can Photoelectrochemical Solar Energy Conversion Do Besides Water Splitting and CO2 Reduction?
ACS Energy Lett., 2018, 3 (10), pp 2610–2612
DOI: 10.1021/acsenergylett.8b01800
Recent Advances in Aqueous Zinc-Ion Batteries
ACS Energy Lett., 2018, 3 (10), pp 2480–2501
DOI: 10.1021/acsenergylett.8b01426
Present and Future Perspective on Electrode Materials for Rechargeable Zinc-Ion Batteries
ACS Energy Lett., 2018, 3 (10), pp 2620–2640
DOI: 10.1021/acsenergylett.8b01552
Mixed-Node Metal–Organic Frameworks as Efficient Electrocatalysts for Oxygen Evolution Reaction
ACS Energy Lett., 2018, 3 (10), pp 2520–2526
DOI: 10.1021/acsenergylett.8b01540
In Situ Vertical Growth of Fe–Ni Layered Double-Hydroxide Arrays on Fe–Ni Alloy Foil: Interfacial Layer Enhanced Electrocatalyst with Small Overpotential for Oxygen Evolution Reaction
ACS Energy Lett., 2018, 3 (10), pp 2357–2365
DOI: 10.1021/acsenergylett.8b01466
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ACS Infectious Diseases
Pharmacokinetics of β-Lactam Antibiotics: Clues from the Past To Help Discover Long-Acting Oral Drugs in the Future
ACS Infect. Dis., 2018, 4 (10), pp 1439–1447
DOI: 10.1021/acsinfecdis.8b00160
Noninvasive Urine Biomarker Lateral Flow Immunoassay for Monitoring Active Onchocerciasis
Open access through ACS AuthorChoice
ACS Infect. Dis., 2018, 4 (10), pp 1423–1431
DOI: 10.1021/acsinfecdis.8b00163
Development of Chemical Proteomics for the Folateome and Analysis of the Kinetoplastid Folateome
Open access through ACS AuthorChoice
ACS Infect. Dis., 2018, 4 (10), pp 1475–1486
DOI: 10.1021/acsinfecdis.8b00097
Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins
ACS Infect. Dis., 2018, 4 (10), pp 1487–1498
DOI: 10.1021/acsinfecdis.8b00108
Getting Drugs through Small Pores: Exploiting the Porins Pathway in Pseudomonas aeruginosa
ACS Infect. Dis., 2018, 4 (10), pp 1519–1528
DOI: 10.1021/acsinfecdis.8b00149
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ACS Medicinal Chemistry Letters
Decision Making in Medicinal Chemistry: The Power of Our Intuition
ACS Med. Chem. Lett., 2018, 9 (10), pp 956–958
DOI: 10.1021/acsmedchemlett.8b00359
Marine Natural Products in Medicinal Chemistry
ACS Med. Chem. Lett., 2018, 9 (10), pp 959–961
DOI: 10.1021/acsmedchemlett.8b00368
Drivers of Orphan Drug Development
ACS Med. Chem. Lett., 2018, 9 (10), pp 962–964
DOI: 10.1021/acsmedchemlett.8b00438
CCR4 Antagonists Inhibit Treg Trafficking into the Tumor Microenvironment
ACS Med. Chem. Lett., 2018, 9 (10), pp 953–955
DOI: 10.1021/acsmedchemlett.8b00351
NLRP3 Modulators for the Treatment of Autoinflammatory Disorders
ACS Med. Chem. Lett., 2018, 9 (10), pp 965–966
DOI: 10.1021/acsmedchemlett.8b00416
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ACS Sensors
Detecting Biothreat Agents: From Current Diagnostics to Developing Sensor Technologies
Open access through ACS AuthorChoice
ACS Sens., 2018, 3 (10), pp 1894–2024
DOI: 10.1021/acssensors.8b00420
Discovery of Butyrylcholinesterase-Activated Near-Infrared Fluorogenic Probe for Live-Cell and In Vivo Imaging
Open access through ACS Editors’ Choice
ACS Sens., 2018, 3 (10), pp 2118–2128
DOI: 10.1021/acssensors.8b00697
An Aggregation-Induced Emission-Based “Turn-On” Fluorescent Probe for Facile Detection of Gaseous Formaldehyde
ACS Sens., 2018, 3 (10), pp 2112–2117
DOI: 10.1021/acssensors.8b00664
Two-Dimensional Transition Metal Dichalcogenides and Metal Oxide Hybrids for Gas Sensing
ACS Sens., 2018, 3 (10), pp 2045–2060
DOI: 10.1021/acssensors.8b01077
A pH-Resolved Colorimetric Biosensor for Simultaneous Multiple Target Detection
ACS Sens., 2018, 3 (10), pp 2159–2165
DOI: 10.1021/acssensors.8b00717
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ACS Sustainable Chemistry & Engineering
Sustainable Conversion of Lignocellulose to High-Purity, Highly Crystalline Flake Potato Graphite
Open access through ACS Editors’ Choice
ACS Sustainable Chem. Eng., 2018, 6 (10), pp 13199–13207
DOI: 10.1021/acssuschemeng.8b02799
Nanoporous Sorbents for the Removal and Recovery of Phosphorus from Eutrophic Waters: Sustainability Challenges and Solutions
ACS Sustainable Chem. Eng., 2018, 6 (10), pp 12542–12561
DOI: 10.1021/acssuschemeng.8b01809
Additive Free Fe-Catalyzed Conversion of Nitro to Aldehyde under Continuous Flow Module
ACS Sustainable Chem. Eng., 2018, 6 (10), pp 12845–12854
DOI: 10.1021/acssuschemeng.8b02090
Metal–Organic-Framework-Derived Hollow CoSx@MoS2 Microcubes as Superior Bifunctional Electrocatalysts for Hydrogen Evolution and Oxygen Evolution Reactions
ACS Sustainable Chem. Eng., 2018, 6 (10), pp 12961–12968
DOI: 10.1021/acssuschemeng.8b02428
Porous Polyethylene Bundles with Enhanced Hydrophobicity and Pumping Oil-Recovery Ability via Skin-Peeling
ACS Sustainable Chem. Eng., 2018, 6 (10), pp 12580–12585
DOI: 10.1021/acssuschemeng.8b03305
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ACS Synthetic Biology
A Genetically Encoded Biosensor for Monitoring Isoprene Production in Engineered Escherichia coli
ACS Synth. Biol., 2018, 7 (10), pp 2379–2390
DOI: 10.1021/acssynbio.8b00164
Discovering Selective Binders for Photoswitchable Proteins Using Phage Display
ACS Synth. Biol., 2018, 7 (10), pp 2355–2364
DOI: 10.1021/acssynbio.8b00123
Engineered Biosensors from Dimeric Ligand-Binding Domains
ACS Synth. Biol., 2018, 7 (10), pp 2457–2467
DOI: 10.1021/acssynbio.8b00242
Establishing a Cell-Free Vibrio natriegens Expression System
ACS Synth. Biol., 2018, 7 (10), pp 2475–2479
DOI: 10.1021/acssynbio.8b00222
A Genetically Encoded Protein Polymer for Uranyl Binding and Extraction Based on the SpyTag–SpyCatcher Chemistry
ACS Synth. Biol., 2018, 7 (10), pp 2331–2339
DOI: 10.1021/acssynbio.8b00223
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Analytical Chemistry
Mitochondrial Peroxynitrite Mediation of Anthracycline-Induced Cardiotoxicity as Visualized by a Two-Photon Near-Infrared Fluorescent Probe
Anal. Chem., 2018, 90 (19), pp 11629–11635
DOI: 10.1021/acs.analchem.8b03207
Membrane (and Soluble) Protein Stability and Binding Measurements in the Lipid Cubic Phase Using Label-Free Differential Scanning Fluorimetry
Anal. Chem., 2018, 90 (20), pp 12152–12160
DOI: 10.1021/acs.analchem.8b03176
Label-Free Prostate Cancer Detection by Characterization of Extracellular Vesicles Using Raman Spectroscopy
Open access through ACS AuthorChoice
Anal. Chem., 2018, 90 (19), pp 11290–11296
DOI: 10.1021/acs.analchem.8b01831
Hydrogels Incorporating Au@Polydopamine Nanoparticles: Robust Performance for Optical Sensing
Anal. Chem., 2018, 90 (19), pp 11423–11430
DOI: 10.1021/acs.analchem.8b02459
DNA Octahedron-Based Fluorescence Nanoprobe for Dual Tumor-Related mRNAs Detection and Imaging
Anal. Chem., 2018, 90 (20), pp 12059–12066
DOI: 10.1021/acs.analchem.8b02847
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Chemical Research in Toxicology
New in Silico Trends in Food Toxicology
Chem. Res. Toxicol., 2018, 31 (10), pp 992–993
DOI: 10.1021/acs.chemrestox.8b00133
Interdisciplinary Approaches and Expanding Scope in Chemical Toxicology
Chem. Res. Toxicol., 2018, 31 (10), pp 991–991
DOI: 10.1021/acs.chemrestox.8b00261
Interaction of Uranium(VI) with α-Amylase and Its Implication for Enzyme Activity
Chem. Res. Toxicol., 2018, 31 (10), pp 1032–1041
DOI: 10.1021/acs.chemrestox.8b00106
Biochemical and Molecular Bases of Lead-Induced Toxicity in Mammalian Systems and Possible Mitigations
Chem. Res. Toxicol., 2018, 31 (10), pp 1009–1021
DOI: 10.1021/acs.chemrestox.8b00193
Identification of the Novel Capecitabine Metabolites in Capecitabine-Treated Patients with Hand-Foot Syndrome
Chem. Res. Toxicol., 2018, 31 (10), pp 1069–1079
DOI: 10.1021/acs.chemrestox.8b00150
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Crystal Growth & Design
Creating Cocrystals: A Review of Pharmaceutical Cocrystal Preparation Routes and Applications
Open access through ACS Editors’ Choice
Cryst. Growth Des., 2018, 18 (10), pp 6370–6387
DOI: 10.1021/acs.cgd.8b00933
Crystal Engineering for Creating Low Sensitivity and Highly Energetic Materials
Cryst. Growth Des., 2018, 18 (10), pp 5713–5726
DOI: 10.1021/acs.cgd.8b00929
A Bifunctional Anionic Metal–Organic Framework: Reversible Photochromism and Selective Adsorption of Methylene Blue
Cryst. Growth Des., 2018, 18 (10), pp 5738–5744
DOI: 10.1021/acs.cgd.8b00895
Tuning the Particle Sizes in Spherical Agglomeration
Open access through ACS AuthorChoice
Cryst. Growth Des., 2018, 18 (10), pp 6257–6265
DOI: 10.1021/acs.cgd.8b01134
Investigation of Charge-Transfer Interaction in Mixed Stack Donor–Acceptor Cocrystals Toward Tunable Solid-State Emission Characteristics
Cryst. Growth Des., 2018, 18 (10), pp 6001–6008
DOI: 10.1021/acs.cgd.8b00852
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Energy & Fuels
Introduction of the Special Issue on SMARTCATs COST Action
Energy Fuels, 2018, 32 (10), pp 10051–10051
DOI: 10.1021/acs.energyfuels.8b03379
Assessing the Potential of Biochars Prepared by Steam-Assisted Slow Pyrolysis for CO2 Adsorption and Separation
Open access through ACS AuthorChoice
Energy Fuels, 2018, 32 (10), pp 10218–10227
DOI: 10.1021/acs.energyfuels.8b01058
Oscillatory Behavior in Methane Combustion: Influence of the Operating Parameters
Open access through ACS AuthorChoice
Energy Fuels, 2018, 32 (10), pp 10088–10099
DOI: 10.1021/acs.energyfuels.8b00967
Experimental Study on the Influence of n-Butanol Blending on the Combustion, Autoignition, and Knock Properties of Gasoline and Its Surrogate in a Spark-Ignition Engine
Energy Fuels, 2018, 32 (10), pp 10052–10064
DOI: 10.1021/acs.energyfuels.8b00713
Assessment of On-the-Fly Chemistry Reduction and Tabulation Approaches for the Simulation of Moderate or Intense Low-Oxygen Dilution Combustion
Open access through ACS AuthorChoice
Energy Fuels, 2018, 32 (10), pp 10121–10131
DOI: 10.1021/acs.energyfuels.8b01001
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Environmental Science & Technology
Global Survey of Antibiotic Resistance Genes in Air
Open access through ACS Editors’ Choice
Environ. Sci. Technol., 2018, 52 (19), pp 10975–10984
DOI: 10.1021/acs.est.8b02204
A Call for an Aloft Air Quality Monitoring Network: Need, Feasibility, and Potential Value
Environ. Sci. Technol., 2018, 52 (19), pp 10903–10908
DOI: 10.1021/acs.est.8b02496
What Goes Up Must Come Down: Integrating Air and Water Quality Monitoring for Nutrients
Environ. Sci. Technol., 2018, 52 (20), pp 11441–11448
DOI: 10.1021/acs.est.8b03504
A Review on Energy, Environmental, and Sustainability Implications of Connected and Automated Vehicles
Open access through ACS AuthorChoice
Environ. Sci. Technol., 2018, 52 (20), pp 11449–11465
DOI: 10.1021/acs.est.8b00127
Indoor (Photo)chemistry in China and Resulting Health Effects
Environ. Sci. Technol., 2018, 52 (19), pp 10909–10910
DOI: 10.1021/acs.est.8b04739
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Environmental Science & Technology Letters
Fabrication of a Desalination Membrane with Enhanced Microbial Resistance through Vertical Alignment of Graphene Oxide
Open access through ACS AuthorChoice
Environ. Sci. Technol. Lett., 2018, 5 (10), pp 614–620
DOI: 10.1021/acs.estlett.8b00364
Two Birds with One Stone—Fast and Simultaneous Analysis of Microplastics: Microparticles Derived from Thermoplastics and Tire Wear
Environ. Sci. Technol. Lett., 2018, 5 (10), pp 608–613
DOI: 10.1021/acs.estlett.8b00446
Measurement of NO3 and N2O5 in a Residential Kitchen
Environ. Sci. Technol. Lett., 2018, 5 (10), pp 595–599
DOI: 10.1021/acs.estlett.8b00415
Comparison of Reactive Gaseous Mercury Collection by Different Sampling Methods in a Laboratory Test and Field Monitoring
Environ. Sci. Technol. Lett., 2018, 5 (10), pp 600–607
DOI: 10.1021/acs.estlett.8b00439
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Industrial & Engineering Chemistry Research
Strategies and Software for Machine Learning Accelerated Discovery in Transition Metal Chemistry
Ind. Eng. Chem. Res., 2018, 57 (42), pp 13973–13986
DOI: 10.1021/acs.iecr.8b04015
Chemical Game Theory
Ind. Eng. Chem. Res., 2018, 57 (41), pp 13593–13607
DOI: 10.1021/acs.iecr.8b03835
Numerical Simulation of Biomass Growth in OKTOP®9000 Reactor at Industrial Scale
Open access through ACS AuthorChoice
Ind. Eng. Chem. Res., 2018, 57 (40), pp 13300–13311
DOI: 10.1021/acs.iecr.8b02765
Fabrication of Novel Open-Cell Foams of Poly(ε-caprolactone)/Poly(lactic acid) Blends for Tissue-Engineering Scaffolds
Ind. Eng. Chem. Res., 2018, 57 (39), pp 12951–12958
DOI: 10.1021/acs.iecr.8b02233
Sintering-Resistant Pt on Ga2O3 Rods for Propane Dehydrogenation: The Morphology Matters
Ind. Eng. Chem. Res., 2018, 57 (39), pp 13087–13093
DOI: 10.1021/acs.iecr.8b03085
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Journal of Agricultural and Food Chemistry
Intestinal Signaling of Proteins and Digestion-Derived Products Relevant to Satiety
Open access through ACS Editors’ Choice
J. Agric. Food Chem., 2018, 66 (39), pp 10123–10131
DOI: 10.1021/acs.jafc.8b02355
Breakthroughs in the Health Effects of Plant Food Bioactives: A Perspective on Microbiomics, Nutri(epi)genomics, and Metabolomics
Open access through ACS AuthorChoice
J. Agric. Food Chem., 2018, 66 (41), pp 10686–10692
DOI: 10.1021/acs.jafc.8b03385
Rapid and Visual Detection of Benzoyl Peroxide in Food by a Colorimetric and Ratiometric Fluorescent Probe
J. Agric. Food Chem., 2018, 66 (41), pp 10913–10920
DOI: 10.1021/acs.jafc.8b04733
Targeting Tumor Metabolism with Plant-Derived Natural Products: Emerging Trends in Cancer Therapy
J. Agric. Food Chem., 2018, 66 (41), pp 10663–10685
DOI: 10.1021/acs.jafc.8b04104
Lipid-Lowering Effects of Medium-Chain Triglyceride-Enriched Coconut Oil in Combination with Licorice Extracts in Experimental Hyperlipidemic Mice
J. Agric. Food Chem., 2018, 66 (40), pp 10447–10457
DOI: 10.1021/acs.jafc.8b04080
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Journal of Chemical & Engineering Data
ACS Virtual Issue on Multicomponent Systems: Absorption, Adsorption, and Diffusion
J. Chem. Eng. Data, 2018, 63 (10), pp 3651–3651
DOI: 10.1021/acs.jced.8b00842
Curcumin Eutectics with Enhanced Dissolution Rates: Binary Phase Diagrams, Characterization, and Dissolution Studies
J. Chem. Eng. Data, 2018, 63 (10), pp 3652–3671
DOI: 10.1021/acs.jced.7b01105
Measurement and Correlation of the Solubility of 5-Fluorouracil in Pure and Binary Solvents
J. Chem. Eng. Data, 2018, 63 (10), pp 3809–3817
DOI: 10.1021/acs.jced.8b00425
Solubility and Molecular Interactions of Trimetazidine Hydrochloride in 12 Monosolvents and Solvent Mixtures of Methanol + (Ethanol, N,N-Dimethylformamide or Ethyl Acetate)
J. Chem. Eng. Data, 2018, 63 (10), pp 3704–3714
DOI: 10.1021/acs.jced.8b00235
Solubility Measurement and Modeling of 2-Amino-4,6-dichoropyrimidine in Ten Pure Solvents and (Ethyl Acetate + Ethanol) Solvent Mixtures
J. Chem. Eng. Data, 2018, 63 (10), pp 3715–3726
DOI: 10.1021/acs.jced.8b00292
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Journal of Chemical Information and Modeling
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
J. Chem. Inf. Model., 2018, 58 (10), pp 2043–2050
DOI: 10.1021/acs.jcim.8b00462
ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping
J. Chem. Inf. Model., 2018, 58 (10), pp 2051–2056
DOI: 10.1021/acs.jcim.8b00532
An Analysis of Different Components of a High-Throughput Screening Library
J. Chem. Inf. Model., 2018, 58 (10), pp 2057–2068
DOI: 10.1021/acs.jcim.8b00258
Unique Physicochemical Patterns of Residues in Protein–Protein Interfaces
J. Chem. Inf. Model., 2018, 58 (10), pp 2164–2173
DOI: 10.1021/acs.jcim.8b00270
Anion-π Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids
J. Chem. Inf. Model., 2018, 58 (10), pp 2085–2091
DOI: 10.1021/acs.jcim.8b00417
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Journal of Chemical Theory and Computation
Metadynamics with Discriminants: A Tool for Understanding Chemistry
J. Chem. Theory Comput., 2018, 14 (10), pp 5040–5044
DOI: 10.1021/acs.jctc.8b00634
Tinker 8: Software Tools for Molecular Design
J. Chem. Theory Comput., 2018, 14 (10), pp 5273–5289
DOI: 10.1021/acs.jctc.8b00529
AARON: An Automated Reaction Optimizer for New Catalysts
J. Chem. Theory Comput., 2018, 14 (10), pp 5249–5261
DOI: 10.1021/acs.jctc.8b00578
Anomalous Effects of Velocity Rescaling Algorithms: The Flying Ice Cube Effect Revisited
J. Chem. Theory Comput., 2018, 14 (10), pp 5262–5272
DOI: 10.1021/acs.jctc.8b00446
Theoretical Study of Protein–Ligand Interactions Using the Molecules-in-Molecules Fragmentation-Based Method
J. Chem. Theory Comput., 2018, 14 (10), pp 5143–5155
DOI: 10.1021/acs.jctc.8b00531
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Journal of Medicinal Chemistry
Lowering Lipophilicity by Adding Carbon: One-Carbon Bridges of Morpholines and Piperazines
J. Med. Chem., 2018, 61 (19), pp 8934–8943
DOI: 10.1021/acs.jmedchem.8b01148
A Dual Inhibition, a Better Solution: Development of a JAK1/TYK2 inhibitor
J. Med. Chem., 2018, 61 (19), pp 8594–8596
DOI: 10.1021/acs.jmedchem.8b01397
Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of ((S)-2,2-Difluorocyclopropyl)((1R,5S)-3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841)
J. Med. Chem., 2018, 61 (19), pp 8597–8612
DOI: 10.1021/acs.jmedchem.8b00917
Emerging Approaches for the Identification of Protein Targets of Small Molecules – A Practitioners’ Perspective
J. Med. Chem., 2018, 61 (19), pp 8504–8535
DOI: 10.1021/acs.jmedchem.7b01921
Structure-Based Drug Design and Identification of H2O-Soluble and Low Toxic Hexacyclic Camptothecin Derivatives with Improved Efficacy in Cancer and Lethal Inflammation Models in Vivo
J. Med. Chem., 2018, 61 (19), pp 8613–8624
DOI: 10.1021/acs.jmedchem.8b00498
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The Journal of Physical Chemistry A
The Virial Theorem and Covalent Bonding
Open access through ACS Editors’ Choice
J. Phys. Chem. A, 2018, 122 (39), pp 7880–7893
DOI: 10.1021/acs.jpca.8b08234
Ice Clouds: Atmospheric Ice Nucleation Concept versus the Physical Chemistry of Freezing Atmospheric Drops
J. Phys. Chem. A, 2018, 122 (39), pp 7777–7781
DOI: 10.1021/acs.jpca.8b07926
Ability of IR and NMR Spectral Data to Distinguish between a Tetrel Bond and a Hydrogen Bond
J. Phys. Chem. A, 2018, 122 (39), pp 7852–7862
DOI: 10.1021/acs.jpca.8b07631
Computational Tools for Calculating log β Values of Geochemically Relevant Uranium Organometallic Complexes
Open access through ACS AuthorChoice
J. Phys. Chem. A, 2018, 122 (40), pp 8007–8019
DOI: 10.1021/acs.jpca.8b06863
Reactivity of Monoterpene Criegee Intermediates at Gas–Liquid Interfaces
J. Phys. Chem. A, 2018, 122 (39), pp 7910–7917
DOI: 10.1021/acs.jpca.8b06914
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The Journal of Physical Chemistry B
Mechanical Softening of a Small Ubiquitin-Related Modifier Protein Due to Temperature Induced Flexibility at the Core
J. Phys. Chem. B, 2018, 122 (39), pp 9128–9136
DOI: 10.1021/acs.jpcb.8b06844
Dynamics of Disordered Proteins under Confinement: Memory Effects and Internal Friction
J. Phys. Chem. B, 2018, 122 (39), pp 9049–9060
DOI: 10.1021/acs.jpcb.8b06112
Scaling of Rates of Vibrational Energy Transfer in Proteins with Equilibrium Dynamics and Entropy
This article is part of the “Deciphering Molecular Complexity in Dynamics and Kinetics from the Single Molecule to the Single Cell Level” special issue.
J. Phys. Chem. B, 2018, 122 (40), pp 9331–9339
DOI: 10.1021/acs.jpcb.8b07552
Electronic Resonant Stimulated Raman Scattering Micro-Spectroscopy
This article is part of the “Young Scientists” special issue.
J. Phys. Chem. B, 2018, 122 (39), pp 9218–9224
DOI: 10.1021/acs.jpcb.8b07037
Enabling Computational Design of ZIFs Using ReaxFF
J. Phys. Chem. B, 2018, 122 (41), pp 9616–9624
DOI: 10.1021/acs.jpcb.8b08094
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The Journal of Physical Chemistry C
Fluorescence, Phosphorescence, or Delayed Fluorescence?—A Theoretical Exploration on the Reason Why a Series of Similar Organic Molecules Exhibit Different Luminescence Types
J. Phys. Chem. C, 2018, 122 (40), pp 23091–23101
DOI: 10.1021/acs.jpcc.8b06533
Photophysics of Deep Blue Acridane- and Benzonitrile-Based Emitter Employing Thermally Activated Delayed Fluorescence
J. Phys. Chem. C, 2018, 122 (39), pp 22796–22801
DOI: 10.1021/acs.jpcc.8b08716
W-Band ENDOR of Light-Induced PPerAcr Anion Radicals in Double-Crystalline Donor–Bridge–Acceptor P3HT-b-PPerAcr Block Copolymer in Frozen Solution: Experimental and DFT Study
J. Phys. Chem. C, 2018, 122 (40), pp 22829–22837
DOI: 10.1021/acs.jpcc.8b05086
Synergistic Application of XPS and DFT to Investigate Metal Oxide Surface Catalysis
J. Phys. Chem. C, 2018, 122 (39), pp 22397–22406
DOI: 10.1021/acs.jpcc.8b05499
Atomic and Molecular Adsorption on the Bi(111) Surface: Insights into Catalytic CO2 Reduction
J. Phys. Chem. C, 2018, 122 (40), pp 23084–23090
DOI: 10.1021/acs.jpcc.8b07865
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The Journal of Physical Chemistry Letters
Top Selected Papers in the Physical Chemistry of Energy Materials 2016–2017
J. Phys. Chem. Lett., 2018, 9 (19), pp 5897–5905
DOI: 10.1021/acs.jpclett.8b02731
Nonadiabatic Excited-State Dynamics with Machine Learning
J. Phys. Chem. Lett., 2018, 9 (19), pp 5660–5663
DOI: 10.1021/acs.jpclett.8b02469
Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead
J. Phys. Chem. Lett., 2018, 9 (20), pp 6149–6163
DOI: 10.1021/acs.jpclett.8b02327
Theory of the Double Layer in Water-in-Salt Electrolytes
J. Phys. Chem. Lett., 2018, 9 (19), pp 5840–5846
DOI: 10.1021/acs.jpclett.8b02543
All-Atom Molecular Dynamics Simulations of Whole Viruses
J. Phys. Chem. Lett., 2018, 9 (19), pp 5805–5809
DOI: 10.1021/acs.jpclett.8b02298
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Journal of Proteome Research
Single Muscle Fiber Proteomics Reveals Distinct Protein Changes in Slow and Fast Fibers during Muscle Atrophy
J. Proteome Res., 2018, 17 (10), pp 3333–3347
DOI: 10.1021/acs.jproteome.8b00093
Comparison of an Optimized Ultracentrifugation Method versus Size-Exclusion Chromatography for Isolation of Exosomes from Human Serum
J. Proteome Res., 2018, 17 (10), pp 3599–3605
DOI: 10.1021/acs.jproteome.8b00479
An Integrated, High-Throughput Strategy for Multiomic Systems Level Analysis
J. Proteome Res., 2018, 17 (10), pp 3396–3408
DOI: 10.1021/acs.jproteome.8b00302
Isoform-Level Interpretation of High-Throughput Proteomics Data Enabled by Deep Integration with RNA-seq
J. Proteome Res., 2018, 17 (10), pp 3431–3444
DOI: 10.1021/acs.jproteome.8b00310
Probing the Sensitivity of the Orbitrap Lumos Mass Spectrometer Using a Standard Reference Protein in a Complex Background
J. Proteome Res., 2018, 17 (10), pp 3586–3592
DOI: 10.1021/acs.jproteome.8b00269
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Molecular Pharmaceutics
Artificial Intelligence for Drug Discovery, Biomarker Development, and Generation of Novel Chemistry
Mol. Pharmaceutics, 2018, 15 (10), pp 4311–4313
DOI: 10.1021/acs.molpharmaceut.8b00930
Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery
Open access through ACS AuthorChoice
Mol. Pharmaceutics, 2018, 15 (10), pp 4398–4405
DOI: 10.1021/acs.molpharmaceut.8b00839
Adversarial Threshold Neural Computer for Molecular de Novo Design
Open access through ACS AuthorChoice
Mol. Pharmaceutics, 2018, 15 (10), pp 4386–4397
DOI: 10.1021/acs.molpharmaceut.7b01137
3D Molecular Representations Based on the Wave Transform for Convolutional Neural Networks
Open access through ACS AuthorChoice
Mol. Pharmaceutics, 2018, 15 (10), pp 4378–4385
DOI: 10.1021/acs.molpharmaceut.7b01134
Drug Repurposing Using Deep Embeddings of Gene Expression Profiles
Open access through ACS AuthorChoice
Mol. Pharmaceutics, 2018, 15 (10), pp 4314–4325
DOI: 10.1021/acs.molpharmaceut.8b00284
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Organic Process Research & Development
Some Items of Interest to Process R&D Chemists and Engineers
Org. Process Res. Dev., 2018, 22 (10), pp 1335–1343
DOI: 10.1021/acs.oprd.8b00320
The First Kilogram Synthesis of Beclabuvir, an HCV NS5B Polymerase Inhibitor
Org. Process Res. Dev., 2018, 22 (10), pp 1393–1408
DOI: 10.1021/acs.oprd.8b00214
Evaluating the Impact of a Decade of Funding from the Green Chemistry Institute Pharmaceutical Roundtable
Org. Process Res. Dev., 2018, 22 (10), pp 1344–1359
DOI: 10.1021/acs.oprd.8b00237
Development of a Synthesis of Kinase Inhibitor AKN028
Org. Process Res. Dev., 2018, 22 (10), pp 1360–1364
DOI: 10.1021/acs.oprd.8b00092
Scalable Process for the Production of a Highly Energetic Bromoacetylene Building Block
Org. Process Res. Dev., 2018, 22 (10), pp 1409–1418
DOI: 10.1021/acs.oprd.8b00223
