What were chemists reading in March of 2017? To find out, we’ve compiled lists of the five most-read chemistry articles that appeared in each applied chemistry ACS Publications journal in March 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, […]
What were chemists reading in March of 2017? To find out, we’ve compiled lists of the five most-read chemistry articles that appeared in each applied chemistry ACS Publications journal in March 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 March 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
Supramolecular Chemotherapy: Cooperative Enhancement of Antitumor Activity by Combining Controlled Release of Oxaliplatin and Consuming of Spermine by Cucurbit[7]uril
Open access through ACS Editors’ Choice
ACS Appl. Mater. Interfaces, 2017, 9 (10), pp 8602–8608
DOI: 10.1021/acsami.7b01157
High Strength Underwater Bonding with Polymer Mimics of Mussel Adhesive Proteins
ACS Appl. Mater. Interfaces, 2017, 9 (8), pp 7866–7872
DOI: 10.1021/acsami.7b00270
Two-Dimensional Covalent Organic Framework (COF) Membranes Fabricated via the Assembly of Exfoliated COF Nanosheets
ACS Appl. Mater. Interfaces, 2017, 9 (10), pp 8433–8436
DOI: 10.1021/acsami.6b15752
Injectable Self-Healing Hydrogel with Antimicrobial and Antifouling Properties
ACS Appl. Mater. Interfaces, 2017, 9 (11), pp 9221–9225
DOI: 10.1021/acsami.6b16192
Self-Assembled and One-Step Synthesis of Interconnected 3D Network of Fe3O4/Reduced Graphene Oxide Nanosheets Hybrid for High-Performance Supercapacitor Electrode
ACS Appl. Mater. Interfaces, 2017, 9 (10), pp 8880–8890
DOI: 10.1021/acsami.6b14704
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ACS Biomaterials Science & Engineering
Progress and Trends in Artificial Silk Spinning: A Systematic Review
Open access through ACS AuthorChoice
ACS Biomater. Sci. Eng., 2017, 3 (3), pp 226–237
DOI: 10.1021/acsbiomaterials.6b00669
EGFR-Targeted Metal Chelating Polymers (MCPs) Harboring Multiple Pendant PEG2K Chains for MicroPET/CT Imaging of Patient-Derived Pancreatic Cancer Xenografts
Open access through ACS Editors’ Choice
ACS Biomater. Sci. Eng., 2017, 3 (3), pp 279–290
DOI: 10.1021/acsbiomaterials.6b00649
3D Bioprinting of Vessel-like Structures with Multilevel Fluidic Channels
ACS Biomater. Sci. Eng., 2017, 3 (3), pp 399–408
DOI: 10.1021/acsbiomaterials.6b00643
Nanogel-Integrated pH-Responsive Composite Hydrogels for Controlled Drug Delivery
ACS Biomater. Sci. Eng., 2017, 3 (3), pp 370–380
DOI: 10.1021/acsbiomaterials.6b00670
Membrane Pore Spacing Can Modulate Endothelial Cell–Substrate and Cell–Cell Interactions
ACS Biomater. Sci. Eng., 2017, 3 (3), pp 243–248
DOI: 10.1021/acsbiomaterials.7b00055
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ACS Combinatorial Science
An Integrated Microfluidic Processor for DNA-Encoded Combinatorial Library Functional Screening
Open access through ACS Editors’ Choice
ACS Comb. Sci., 2017, 19 (3), pp 181–192
DOI: 10.1021/acscombsci.6b00192
Discovery of Peptidomimetic Ligands of EED as Allosteric Inhibitors of PRC2
ACS Comb. Sci., 2017, 19 (3), pp 161–172
DOI: 10.1021/acscombsci.6b00174
Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations
Open access through ACS AuthorChoice
ACS Comb. Sci., 2017, 19 (3), pp 193–198
DOI: 10.1021/acscombsci.7b00009
Fast and Facile Synthesis of 4-Nitrophenyl 2-Azidoethylcarbamate Derivatives from N-Fmoc-Protected α-Amino Acids as Activated Building Blocks for Urea Moiety-Containing Compound Library
ACS Comb. Sci., 2017, 19 (3), pp 131–136
DOI: 10.1021/acscombsci.6b00160
Multicomponent Assembly of the Kinesin Spindle Protein Inhibitor CPUYJ039 and Analogues as Antimitotic Agents
ACS Comb. Sci., 2017, 19 (3), pp 153–160
DOI: 10.1021/acscombsci.6b00166
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ACS Energy Letters
Cathode Materials for Future Electric Vehicles and Energy Storage Systems
ACS Energy Lett., 2017, 2 (3), pp 703–708
DOI: 10.1021/acsenergylett.7b00130
Future of Electrochemical Energy Storage
ACS Energy Lett., 2017, 2 (3), pp 716–716
DOI: 10.1021/acsenergylett.7b00158
Colloidal Mn-Doped Cesium Lead Halide Perovskite Nanoplatelets
Open access through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (3), pp 537–543
DOI: 10.1021/acsenergylett.6b00741
A Neutral pH Aqueous Organic–Organometallic Redox Flow Battery with Extremely High Capacity Retention
ACS Energy Lett., 2017, 2 (3), pp 639–644
DOI: 10.1021/acsenergylett.7b00019
EEWS 2016: Progress and Perspectives of Energy Science and Technology
ACS Energy Lett., 2017, 2 (3), pp 592–594
DOI: 10.1021/acsenergylett.6b00640
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ACS Infectious Diseases
Rational Design of Single-Chain Polymeric Nanoparticles That Kill Planktonic and Biofilm Bacteria
ACS Infect. Dis., 2017, 3 (3), pp 237–248
DOI: 10.1021/acsinfecdis.6b00203
Optimization and Synthesis of Pyridazinone Derivatives as Novel Inhibitors of Hepatitis B Virus by Inducing Genome-free Capsid Formation
ACS Infect. Dis., 2017, 3 (3), pp 199–205
DOI: 10.1021/acsinfecdis.6b00159
Pseudomonas aeruginosa LasR·DNA Binding Is Directly Inhibited by Quorum Sensing Antagonists
ACS Infect. Dis., 2017, 3 (3), pp 183–189
DOI: 10.1021/acsinfecdis.6b00163
Antimicrobial Activity, AME Resistance, and A-Site Binding Studies of Anthraquinone–Neomycin Conjugates
ACS Infect. Dis., 2017, 3 (3), pp 206–215
DOI: 10.1021/acsinfecdis.6b00176
A Sensitive in Vitro High-Throughput Screen To Identify Pan-filoviral Replication Inhibitors Targeting the VP35–NP Interface
ACS Infect. Dis., 2017, 3 (3), pp 190–198
DOI: 10.1021/acsinfecdis.6b00209
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ACS Medicinal Chemistry Letters
Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin
Open access through ACS Editors’ Choice
ACS Med. Chem. Lett., 2017, 8 (3), pp 321–326
DOI: 10.1021/acsmedchemlett.6b00491
Curcumin May Defy Medicinal Chemists
ACS Med. Chem. Lett., 2017, 8 (3), pp 274–274
DOI: 10.1021/acsmedchemlett.7b00051
Antiparasitic Lead Discovery: Toward Optimization of a Chemotype with Activity Against Multiple Protozoan Parasites
Open access through ACS Editors’ Choice
ACS Med. Chem. Lett., 2017, 8 (3), pp 350–354
DOI: 10.1021/acsmedchemlett.7b00011
Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach
ACS Med. Chem. Lett., 2017, 8 (3), pp 338–343
DOI: 10.1021/acsmedchemlett.6b00519
Editorial: Medicinal Chemistry Research in India
ACS Med. Chem. Lett., 2017, 8 (3), pp 270–272
DOI: 10.1021/acsmedchemlett.7b00064
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ACS Sensors
Imaging Lysosomal pH Alteration in Stressed Cells with a Sensitive Ratiometric Fluorescence Sensor
ACS Sens., 2017, 2 (3), pp 436–442
DOI: 10.1021/acssensors.7b00035
Multicolor Functional Carbon Dots via One-Step Refluxing Synthesis
ACS Sens., 2017, 2 (3), pp 354–363
DOI: 10.1021/acssensors.6b00607
In Vivo Biosensing: Progress and Perspectives
ACS Sens., 2017, 2 (3), pp 327–338
DOI: 10.1021/acssensors.6b00834
Wearable, Flexible, and Multifunctional Healthcare Device with an ISFET Chemical Sensor for Simultaneous Sweat pH and Skin Temperature Monitoring
ACS Sens., 2017, 2 (3), pp 443–448
DOI: 10.1021/acssensors.7b00047
Ultrafast Paper Thermometers Based on a Green Sensing Ink
ACS Sens., 2017, 2 (3), pp 449–454
DOI: 10.1021/acssensors.7b00060
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ACS Sustainable Chemistry & Engineering
The Global Reach of ACS Sustainable Chemistry & Engineering and Welcoming Lina Zhang
ACS Sustainable Chem. Eng., 2017, 5 (3), pp 2034–2034
DOI: 10.1021/acssuschemeng.7b00479
Comment on “Ultrahigh Desalinization Performance of Asymmetric Flow-Electrode Capacitive Deionization Device with an Improved Operation Voltage of 1.8 V”
ACS Sustainable Chem. Eng., 2017, 5 (3), pp 2035–2036
DOI: 10.1021/acssuschemeng.6b02951
Facile Fabrication of Large-Aspect-Ratio g-C3N4 Nanosheets for Enhanced Photocatalytic Hydrogen Evolution
ACS Sustainable Chem. Eng., 2017, 5 (3), pp 2039–2043
DOI: 10.1021/acssuschemeng.6b02721
MnO2 Nanoflake-Shelled Carbon Nanotube Particles for High-Performance Supercapacitors
ACS Sustainable Chem. Eng., 2017, 5 (3), pp 2445–2453
DOI: 10.1021/acssuschemeng.6b02803
Response to Comment on “Ultrahigh Desalinization Performance of Asymmetric Flow-Electrode Capacitive Deionization Device with an Improved Operation Voltage of 1.8 V”
ACS Sustainable Chem. Eng., 2017, 5 (3), pp 2037–2038
DOI: 10.1021/acssuschemeng.7b00463
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ACS Synthetic Biology
Polyketide Bioderivatization Using the Promiscuous Acyltransferase KirCII
ACS Synth. Biol., 2017, 6 (3), pp 421–427
DOI: 10.1021/acssynbio.6b00341
Introducing Our Authors
ACS Synth. Biol., 2017, 6 (3), pp 382–387
DOI: 10.1021/acssynbio.7b00067
A Simple Combinatorial Codon Mutagenesis Method for Targeted Protein Engineering
ACS Synth. Biol., 2017, 6 (3), pp 416–420
DOI: 10.1021/acssynbio.6b00297
Synthetic Core Promoters as Universal Parts for Fine-Tuning Expression in Different Yeast Species
Open access through ACS AuthorChoice
ACS Synth. Biol., 2017, 6 (3), pp 471–484
DOI: 10.1021/acssynbio.6b00178
Development of a Transcription Factor-Based Lactam Biosensor
ACS Synth. Biol., 2017, 6 (3), pp 439–445
DOI: 10.1021/acssynbio.6b00136
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Analytical Chemistry
Metal-Enhanced Ratiometric Fluorescence/Naked Eye Bimodal Biosensor for Lead Ions Analysis with Bifunctional Nanocomposite Probes
Anal. Chem., 2017, 89 (6), pp 3597–3605
DOI: 10.1021/acs.analchem.6b04978
Science Communication: A Science Not an Art
Anal. Chem., 2017, 89 (5), pp 2645–2645
DOI: 10.1021/acs.analchem.7b00585
Ultratrace Naked-Eye Colorimetric Detection of Hg2+ in Wastewater and Serum Utilizing Mercury-Stimulated Peroxidase Mimetic Activity of Reduced Graphene Oxide-PEI-Pd Nanohybrids
Anal. Chem., 2017, 89 (6), pp 3538–3544
DOI: 10.1021/acs.analchem.6b04805
Colorimetric and Electrochemical Bacteria Detection Using Printed Paper- and Transparency-Based Analytic Devices
Anal. Chem., 2017, 89 (6), pp 3613–3621
DOI: 10.1021/acs.analchem.6b05009
Analyzing DNA Nanotechnology: A Call to Arms For The Analytical Chemistry Community
Anal. Chem., 2017, 89 (5), pp 2646–2663
DOI: 10.1021/acs.analchem.6b04033
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Chemical Research in Toxicology
DNA Adduct Profiles Predict in Vitro Cell Viability after Treatment with the Experimental Anticancer Prodrug PR104A
Chem. Res. Toxicol., 2017, 30 (3), pp 830–839
DOI: 10.1021/acs.chemrestox.6b00412
Copper-2 Hypothesis for Causation of the Current Alzheimer’s Disease Epidemic Together with Dietary Changes That Enhance the Epidemic
Chem. Res. Toxicol., 2017, 30 (3), pp 763–768
DOI: 10.1021/acs.chemrestox.6b00373
Validation of a Multiparametric, High-Content-Screening Assay for Predictive/Investigative Cytotoxicity: Evidence from Technology Transfer Studies and Literature Review
Chem. Res. Toxicol., 2017, 30 (3), pp 804–829
DOI: 10.1021/acs.chemrestox.6b00403
Tyrosinase-Catalyzed Oxidation of the Leukoderma-Inducing Agent Raspberry Ketone Produces (E)-4-(3-Oxo-1-butenyl)-1,2-benzoquinone: Implications for Melanocyte Toxicity
Chem. Res. Toxicol., 2017, 30 (3), pp 859–868
DOI: 10.1021/acs.chemrestox.7b00006
Soft Cysteine Signaling Network: The Functional Significance of Cysteine in Protein Function and the Soft Acids/Bases Thiol Chemistry That Facilitates Cysteine Modification
Chem. Res. Toxicol., 2017, 30 (3), pp 729–762
DOI: 10.1021/acs.chemrestox.6b00428
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Crystal Growth & Design
Integral Membrane Proteins Can Be Crystallized Directly from Nanodiscs
Open access through ACS Editors’ Choice
Cryst. Growth Des., 2017, 17 (3), pp 945–948
DOI: 10.1021/acs.cgd.6b01631
Re: “Crystal Engineering in the Regulatory and Patent Literature of Pharmaceutical Solid Forms”
Cryst. Growth Des., 2017, 17 (3), pp 933–939
DOI: 10.1021/acs.cgd.6b01485
Synthesis and Characterization of New Ce(IV)-MOFs Exhibiting Various Framework Topologies
Cryst. Growth Des., 2017, 17 (3), pp 1125–1131
DOI: 10.1021/acs.cgd.6b01512
Indium-Based Heterometal–Organic Frameworks with Different Nanoscale Cages: Syntheses, Structures, and Gas Adsorption Properties
Published as part of a Crystal Growth and Design virtual special issue on Crystal Engineering of Nanoporous Materials for Gas Storage and Separation
Cryst. Growth Des., 2017, 17 (3), pp 1159–1165
DOI: 10.1021/acs.cgd.6b01538
Mixed-Lanthanide Metal–Organic Frameworks with Tunable Color and White Light Emission
Cryst. Growth Des., 2017, 17 (3), pp 940–944
DOI: 10.1021/acs.cgd.6b01541
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Energy & Fuels
In Honor of Professor Brian Haynes on the Occasion of His 65th Birthday
This article is part of the In Honor of Professor Brian Haynes on the Occasion of His 65th Birthday special issue.
Energy Fuels, 2017, 31 (3), pp 2107–2108
DOI: 10.1021/acs.energyfuels.7b00420
Electrochemical CO2 Reduction to Fuels Using Pt/CNT Catalysts Synthesized in Supercritical Medium
Energy Fuels, 2017, 31 (3), pp 3038–3046
DOI: 10.1021/acs.energyfuels.6b03017
Revealing the Intermolecular Interactions of Asphaltene Dimers by Quantum Chemical Calculations
Energy Fuels, 2017, 31 (3), pp 2488–2495
DOI: 10.1021/acs.energyfuels.6b02738
Comparative Studies on Enhanced Oil Recovery: Thermoviscosifying Polymer Versus Polyacrylamide
Energy Fuels, 2017, 31 (3), pp 2479–2487
DOI: 10.1021/acs.energyfuels.6b02653
Spontaneous Imbibition Investigation of Self-Dispersing Silica Nanofluids for Enhanced Oil Recovery in Low-Permeability Cores
Energy Fuels, 2017, 31 (3), pp 2663–2668
DOI: 10.1021/acs.energyfuels.6b03244
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Environmental Science & Technology
Assessing the Methane Emissions from Natural Gas-Fired Power Plants and Oil Refineries
Open access through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (6), pp 3373–3381
DOI: 10.1021/acs.est.6b05531
A Never-Ending Story of Per- and Polyfluoroalkyl Substances (PFASs)?
Environ. Sci. Technol., 2017, 51 (5), pp 2508–2518
DOI: 10.1021/acs.est.6b04806
Microplastic Exposure Assessment in Aquatic Environments: Learning from Similarities and Differences to Engineered Nanoparticles
Environ. Sci. Technol., 2017, 51 (5), pp 2499–2507
DOI: 10.1021/acs.est.6b04054
The Essential Role for Laboratory Studies in Atmospheric Chemistry
Environ. Sci. Technol., 2017, 51 (5), pp 2519–2528
DOI: 10.1021/acs.est.6b04947
Refocusing on Nonpriority Toxic Metals in the Aquatic Environment in China
Environ. Sci. Technol., 2017, 51 (6), pp 3117–3118
DOI: 10.1021/acs.est.7b00223
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Environmental Science & Technology Letters
Fluorinated Compounds in U.S. Fast Food Packaging
Open access through ACS AuthorChoice
Environ. Sci. Technol. Lett., 2017, 4 (3), pp 105–111
DOI: 10.1021/acs.estlett.6b00435
Temporal Trends in Exposure to Organophosphate Flame Retardants in the United States
Open access through ACS Editors’ Choice
Environ. Sci. Technol. Lett., 2017, 4 (3), pp 112–118
DOI: 10.1021/acs.estlett.6b00475
Two Journals Sharing One Name
Environ. Sci. Technol. Lett., 2017, 4 (3), pp 83–84
DOI: 10.1021/acs.estlett.7b00056
Reducing Uncertainty and Confronting Ignorance about the Possible Impacts of Weathering Plastic in the Marine Environment
Open access through ACS AuthorChoice
Environ. Sci. Technol. Lett., 2017, 4 (3), pp 85–90
DOI: 10.1021/acs.estlett.7b00008
Soluble Fe in Aerosols Sustained by Gaseous HO2 Uptake
Open access through ACS AuthorChoice
Environ. Sci. Technol. Lett., 2017, 4 (3), pp 98–104
DOI: 10.1021/acs.estlett.7b00017
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Industrial & Engineering Chemistry Research
Golden Carbon Nanotube Membrane for Continuous Flow Catalysis
Open access through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (11), pp 2999–3007
DOI: 10.1021/acs.iecr.7b00357
I&EC Research Appoints Feng-Shou Xiao and Announces “New” Process Section
Ind. Eng. Chem. Res., 2017, 56 (10), pp 2615–2615
DOI: 10.1021/acs.iecr.7b00803
CO2 Capture by Calcium Looping at Relevant Conditions for Cement Plants: Experimental Testing in a 30 kWth Pilot Plant
Open access through ACS AuthorChoice
Ind. Eng. Chem. Res., 2017, 56 (10), pp 2634–2640
DOI: 10.1021/acs.iecr.6b04617
Enhanced Lithium Storage Capability in Li-Ion Batteries Using Porous 3D Co3O4 Nanofiber Anodes
Open access through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (8), pp 2046–2053
DOI: 10.1021/acs.iecr.7b00222
Continuous Synthesis of γ-Valerolactone in a Trickle-Bed Reactor over Supported Nickel Catalysts
Ind. Eng. Chem. Res., 2017, 56 (10), pp 2680–2689
DOI: 10.1021/acs.iecr.6b03493
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Journal of Agricultural and Food Chemistry
Nitrogen-to-Protein Conversion Factors for Three Edible Insects: Tenebrio molitor, Alphitobius diaperinus, and Hermetia illucens
Open access through ACS AuthorChoice
J. Agric. Food Chem., 2017, 65 (11), pp 2275–2278
DOI: 10.1021/acs.jafc.7b00471
Arsenic Release from Foodstuffs upon Food Preparation
J. Agric. Food Chem., 2017, 65 (11), pp 2443–2453
DOI: 10.1021/acs.jafc.6b05721
Functional Characterization of a New Tea (Camellia sinensis) Flavonoid Glycosyltransferase
J. Agric. Food Chem., 2017, 65 (10), pp 2074–2083
DOI: 10.1021/acs.jafc.6b05619
Various Bioactivity and Relationship of Structure–Activity of Matrine Analogues
J. Agric. Food Chem., 2017, 65 (10), pp 2039–2047
DOI: 10.1021/acs.jafc.6b05474
New LC-MS/MS Method for the Analysis of Allura Red Level in Takeaway Chinese Dishes and Urine of an Adult Chinese Population
J. Agric. Food Chem., 2017, 65 (12), pp 2588–2593
DOI: 10.1021/acs.jafc.6b05310
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Journal of Chemical & Engineering Data
A Low-Temperature Thermodynamic Model for the Na-K-Ca-Mg-Cl System Incorporating New Experimental Heat Capacities in KCl, MgCl2, and CaCl2 Solutions
J. Chem. Eng. Data, 2017, 62 (3), pp 995–1010
DOI: 10.1021/acs.jced.6b00812
Measurement and Correlation of the Solubility of ε-CL-20 in 12 Organic Solvents at Temperatures Ranging from 278.15 to 318.15 K
J. Chem. Eng. Data, 2017, 62 (3), pp 961–966
DOI: 10.1021/acs.jced.6b00761
Isothermal Vapor–Liquid Equilibrium Data for the Toluene + Methanol + N-Butylpyridinium Bromide System
J. Chem. Eng. Data, 2017, 62 (3), pp 889–892
DOI: 10.1021/acs.jced.6b00279
Improvement on the Viscosity Models for the Effects of Temperature and Pressure on the Viscosity of Heavy Crude Oils
J. Chem. Eng. Data, 2017, 62 (3), pp 924–930
DOI: 10.1021/acs.jced.6b00619
Vapor–Liquid Equilibrium of γ-Valerolactone and Formic Acid at p = 51 kPa
J. Chem. Eng. Data, 2017, 62 (3), pp 1058–1062
DOI: 10.1021/acs.jced.6b00867
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Journal of Chemical Information and Modeling
Phantom PAINS: Problems with the Utility of Alerts for Pan-Assay INterference CompoundS
Open access through ACS Editors’ Choice
J. Chem. Inf. Model., 2017, 57 (3), pp 417–427
DOI: 10.1021/acs.jcim.6b00465
Computational Multitarget Drug Design
J. Chem. Inf. Model., 2017, 57 (3), pp 403–412
DOI: 10.1021/acs.jcim.6b00491
Structural Isosteres of Phosphate Groups in the Protein Data Bank
J. Chem. Inf. Model., 2017, 57 (3), pp 499–516
DOI: 10.1021/acs.jcim.6b00519
The Ecstasy and Agony of Assay Interference Compounds
J. Chem. Inf. Model., 2017, 57 (3), pp 387–390
DOI: 10.1021/acs.jcim.7b00105
Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction
J. Chem. Inf. Model., 2017, 57 (3), pp 439–444
DOI: 10.1021/acs.jcim.6b00532
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Journal of Chemical Theory and Computation
Comparison of Implicit and Explicit Solvent Models for the Calculation of Solvation Free Energy in Organic Solvents
J. Chem. Theory Comput., 2017, 13 (3), pp 1034–1043
DOI: 10.1021/acs.jctc.7b00169
Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids
J. Chem. Theory Comput., 2017, 13 (3), pp 1209–1218
DOI: 10.1021/acs.jctc.7b00049
Fragment-Based Approach for the Evaluation of NMR Chemical Shifts for Large Biomolecules Incorporating the Effects of the Solvent Environment
J. Chem. Theory Comput., 2017, 13 (3), pp 1147–1158
DOI: 10.1021/acs.jctc.6b00922
Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (3), pp 1366–1374
DOI: 10.1021/acs.jctc.6b00986
Modeling Protein Conformational Transition Pathways Using Collective Motions and the LASSO Method
J. Chem. Theory Comput., 2017, 13 (3), pp 1401–1410
DOI: 10.1021/acs.jctc.6b01110
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Journal of Medicinal Chemistry
The Essential Medicinal Chemistry of Curcumin
Open access through ACS Editors’ Choice
J. Med. Chem., 2017, 60 (5), pp 1620–1637
DOI: 10.1021/acs.jmedchem.6b00975
How Big Is Too Big for Cell Permeability?
J. Med. Chem., 2017, 60 (5), pp 1662–1664
DOI: 10.1021/acs.jmedchem.7b00237
The Ecstasy and Agony of Assay Interference Compounds
J. Med. Chem., 2017, 60 (6), pp 2165–2168
DOI: 10.1021/acs.jmedchem.7b00229
Combining Molecular Scaffolds from FDA Approved Drugs: Application to Drug Discovery
J. Med. Chem., 2017, 60 (5), pp 1638–1647
DOI: 10.1021/acs.jmedchem.6b01367
Design, Synthesis, and Evaluation of a Novel Series of Oxadiazine Gamma Secretase Modulators for Familial Alzheimer’s Disease
J. Med. Chem., 2017, 60 (6), pp 2383–2400
DOI: 10.1021/acs.jmedchem.6b01620
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The Journal of Physical Chemistry A
Thermally-Activated, Delayed Fluorescence in O,B,O- and N,B,O-Strapped Boron Dipyrromethene Derivatives
J. Phys. Chem. A, 2017, 121 (10), pp 2096–2107
DOI: 10.1021/acs.jpca.6b11131
Mechanism and Kinetics of Methane Combustion, Part I: Thermal Rate Constants for Hydrogen-Abstraction Reaction of CH4 + O(3P)
J. Phys. Chem. A, 2017, 121 (11), pp 2209–2220
DOI: 10.1021/acs.jpca.6b12125
Benchmark Study of Density Functional Theory for Neutral Gold Clusters, Aun (n = 2–8)
J. Phys. Chem. A, 2017, 121 (12), pp 2410–2419
DOI: 10.1021/acs.jpca.6b11868
Solvent-Induced Shift of Spectral Lines in Polar–Polarizable Solvents
J. Phys. Chem. A, 2017, 121 (11), pp 2232–2240
DOI: 10.1021/acs.jpca.7b00414
Zero Quantum Coherence in a Series of Covalent Spin-Correlated Radical Pairs
J. Phys. Chem. A, 2017, 121 (11), pp 2241–2252
DOI: 10.1021/acs.jpca.7b00587
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The Journal of Physical Chemistry B
Evolutionary Covariance Combined with Molecular Dynamics Predicts a Framework for Allostery in the MutS DNA Mismatch Repair Protein
Open access through ACS Editors’ Choice
J. Phys. Chem. B, 2017, 121 (9), pp 2049–2061
DOI: 10.1021/acs.jpcb.6b11976
Beyond the Hofmeister Series: Ion-Specific Effects on Proteins and Their Biological Functions
J. Phys. Chem. B, 2017, 121 (9), pp 1997–2014
DOI: 10.1021/acs.jpcb.6b10797
Conformational Ensembles of the Wild-Type and S8C Aβ1–42 Dimers
J. Phys. Chem. B, 2017, 121 (11), pp 2434–2442
DOI: 10.1021/acs.jpcb.7b00267
Excited-State Proton Transfer in Indigo
J. Phys. Chem. B, 2017, 121 (10), pp 2308–2318
DOI: 10.1021/acs.jpcb.6b11020
Drastic Compensation of Electronic and Solvation Effects on ATP Hydrolysis Revealed through Large-Scale QM/MM Simulations Combined with a Theory of Solutions
J. Phys. Chem. B, 2017, 121 (10), pp 2279–2287
DOI: 10.1021/acs.jpcb.7b00637
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The Journal of Physical Chemistry C
X-ray Photoelectron Spectroscopic Investigation of Plasma-Enhanced Chemical Vapor Deposited NiOx, NiOx(OH)y, and CoNiOx(OH)y: Influence of the Chemical Composition on the Catalytic Activity for the Oxygen Evolution Reaction
Open access through ACS Editors’ Choice
J. Phys. Chem. C, 2017, 121 (12), pp 6455–6463
DOI: 10.1021/acs.jpcc.6b12652
Donor-π–Acceptor Based Stable Porphyrin Sensitizers for Dye-Sensitized Solar Cells: Effect of π-Conjugated Spacers
J. Phys. Chem. C, 2017, 121 (12), pp 6464–6477
DOI: 10.1021/acs.jpcc.6b12869
MOF-Sensitized Solar Cells Enabled by a Pillared Porphyrin Framework
J. Phys. Chem. C, 2017, 121 (9), pp 4816–4824
DOI: 10.1021/acs.jpcc.6b11251
Efficient and Stable Perovskite Solar Cells Prepared in Ambient Air Based on Surface-Modified Perovskite Layer
J. Phys. Chem. C, 2017, 121 (12), pp 6546–6553
DOI: 10.1021/acs.jpcc.7b00847
Ultrafast Exciton Dynamics in Colloidal CsPbBr3 Perovskite Nanocrystals: Biexciton Effect and Auger Recombination
J. Phys. Chem. C, 2017, 121 (8), pp 4734–4739
DOI: 10.1021/acs.jpcc.7b00762
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The Journal of Physical Chemistry Letters
Stabilization of the Perovskite Phase of Formamidinium Lead Triiodide by Methylammonium, Cs, and/or Rb Doping
J. Phys. Chem. Lett., 2017, 8 (6), pp 1191–1196
DOI: 10.1021/acs.jpclett.6b03014
Quantitative Phase-Change Thermodynamics and Metastability of Perovskite-Phase Cesium Lead Iodide
J. Phys. Chem. Lett., 2017, 8 (6), pp 1278–1282
DOI: 10.1021/acs.jpclett.7b00134
Probing the Intrinsic Thermal and Photochemical Stability of Hybrid and Inorganic Lead Halide Perovskites
J. Phys. Chem. Lett., 2017, 8 (6), pp 1211–1218
DOI: 10.1021/acs.jpclett.6b03026
Spotlights: Volume 8, Issue 5
J. Phys. Chem. Lett., 2017, 8 (5), pp 1093–1093
DOI: 10.1021/acs.jpclett.7b00429
Decreasing Radiative Recombination Coefficients via an Indirect Band Gap in Lead Halide Perovskites
J. Phys. Chem. Lett., 2017, 8 (6), pp 1265–1271
DOI: 10.1021/acs.jpclett.7b00236
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Journal of Proteome Research
Deep Coverage of Global Protein Expression and Phosphorylation in Breast Tumor Cell Lines Using TMT 10-plex Isobaric Labeling
J. Proteome Res., 2017, 16 (3), pp 1121–1132
DOI: 10.1021/acs.jproteome.6b00374
MALDI versus ESI: The Impact of the Ion Source on Peptide Identification
J. Proteome Res., 2017, 16 (3), pp 1207–1215
DOI: 10.1021/acs.jproteome.6b00805
Expanding Proteome Coverage with CHarge Ordered Parallel Ion aNalysis (CHOPIN) Combined with Broad Specificity Proteolysis
Open access through ACS AuthorChoice
J. Proteome Res., 2017, 16 (3), pp 1288–1299
DOI: 10.1021/acs.jproteome.6b00915
Peptide Selection for Targeted Protein Quantitation
J. Proteome Res., 2017, 16 (3), pp 1376–1380
DOI: 10.1021/acs.jproteome.6b00115
Integrated, High-Throughput, Multiomics Platform Enables Data-Driven Construction of Cellular Responses and Reveals Global Drug Mechanisms of Action
J. Proteome Res., 2017, 16 (3), pp 1364–1375
DOI: 10.1021/acs.jproteome.6b01004
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Molecular Pharmaceutics
Breast Cancer Targeting Peptide Binds Keratin 1: A New Molecular Marker for Targeted Drug Delivery to Breast Cancer
Mol. Pharmaceutics, 2017, 14 (3), pp 593–604
DOI: 10.1021/acs.molpharmaceut.6b00652
Mitochondria and Nucleus Dual Delivery System To Overcome DOX Resistance
Mol. Pharmaceutics, 2017, 14 (3), pp 746–756
DOI: 10.1021/acs.molpharmaceut.6b01016
Antibody-Targeted Cyclodextrin-Based Nanoparticles for siRNA Delivery in the Treatment of Acute Myeloid Leukemia: Physicochemical Characteristics, in Vitro Mechanistic Studies, and ex Vivo Patient Derived Therapeutic Efficacy
Mol. Pharmaceutics, 2017, 14 (3), pp 940–952
DOI: 10.1021/acs.molpharmaceut.6b01150
Recent Advances in Nonlinear Optical Analyses of Pharmaceutical Materials in the Solid State
Mol. Pharmaceutics, 2017, 14 (3), pp 555–565
DOI: 10.1021/acs.molpharmaceut.6b00809
Biocompatible Reduction and pH Dual-Responsive Core Cross-Linked Micelles Based on Multifunctional Amphiphilic Linear–Hyperbranched Copolymer for Controlled Anticancer Drug Delivery
Mol. Pharmaceutics, 2017, 14 (3), pp 799–807
DOI: 10.1021/acs.molpharmaceut.6b01051
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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 (3), pp 279–291
DOI: 10.1021/acs.oprd.7b00057
Stereochemical Aspects of T3P Amidations
Org. Process Res. Dev., 2017, 21 (3), pp 399–407
DOI: 10.1021/acs.oprd.7b00046
Development of a Practical Synthesis of ERK Inhibitor GDC-0994
Org. Process Res. Dev., 2017, 21 (3), pp 387–398
DOI: 10.1021/acs.oprd.7b00006
The Pharmaceutical Drying Unit Operation: An Industry Perspective on Advancing the Science and Development Approach for Scale-Up and Technology Transfer
Org. Process Res. Dev., 2017, 21 (3), pp 420–429
DOI: 10.1021/acs.oprd.6b00406
A Practical and Scalable Synthesis of a Glucokinase Activator via Diastereomeric Resolution and Palladium-Catalyzed C–N Coupling Reaction
Org. Process Res. Dev., 2017, 21 (3), pp 346–356
DOI: 10.1021/acs.oprd.6b00415
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