What were chemists reading in July 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 July 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 July 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 July 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 July 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
Porphyrinic Metal–Organic Framework-Templated Fe–Ni–P/Reduced Graphene Oxide for Efficient Electrocatalytic Oxygen Evolution
ACS Appl. Mater. Interfaces, 2017, 9 (28), pp 23852–23858
DOI: 10.1021/acsami.7b07142
One-pot Synthesis of CdS Irregular Nanospheres Hybridized with Oxygen-Incorporated Defect-Rich MoS2 Ultrathin Nanosheets for Efficient Photocatalytic Hydrogen Evolution
ACS Appl. Mater. Interfaces, 2017, 9 (28), pp 23635–23646
DOI: 10.1021/acsami.7b03673
Superflexible Wood
ACS Appl. Mater. Interfaces, 2017, 9 (28), pp 23520–23527
DOI: 10.1021/acsami.7b06529
Red, Yellow, and Blue Luminescence by Graphene Quantum Dots: Syntheses, Mechanism, and Cellular Imaging
ACS Appl. Mater. Interfaces, 2017, 9 (29), pp 24846–24856
DOI: 10.1021/acsami.7b05569
Push–Pull Type Non-Fullerene Acceptors for Polymer Solar Cells: Effect of the Donor Core
ACS Appl. Mater. Interfaces, 2017, 9 (29), pp 24771–24777
DOI: 10.1021/acsami.7b05417
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ACS Biomaterials Science & Engineering
Biomimetic Bioactive Biomaterials: The Next Generation of Implantable Devices
ACS Biomater. Sci. Eng., 2017, 3 (7), pp 1172–1174
DOI: 10.1021/acsbiomaterials.7b00372
3D Fabrication of Polymeric Scaffolds for Regenerative Therapy
ACS Biomater. Sci. Eng., 2017, 3 (7), pp 1175–1194
DOI: 10.1021/acsbiomaterials.6b00370
Overview of the Development, Applications, and Future Perspectives of Decellularized Tissues and Organs
Open Access Through ACS AuthorChoice
ACS Biomater. Sci. Eng., 2017, 3 (7), pp 1236–1244
DOI: 10.1021/acsbiomaterials.6b00506
Titanium Coatings and Surface Modifications: Toward Clinically Useful Bioactive Implants
ACS Biomater. Sci. Eng., 2017, 3 (7), pp 1245–1261
DOI: 10.1021/acsbiomaterials.6b00604
Advances in Nerve Guidance Conduit-Based Therapeutics for Peripheral Nerve Repair
ACS Biomater. Sci. Eng., 2017, 3 (7), pp 1221–1235
DOI: 10.1021/acsbiomaterials.6b00500
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ACS Combinatorial Science
“On-Water” Facile Synthesis of Novel Pyrazolo[3,4-b]pyridinones Possessing Anti-influenza Virus Activity
ACS Comb. Sci., 2017, 19 (7), pp 437–446
DOI: 10.1021/acscombsci.7b00016
“In Water”: Organocatalyzed Diastereoselective Multicomponent Reactions toward 2-Azapyrrolizidine Alkaloid Scaffolds
ACS Comb. Sci., 2017, 19 (7), pp 455–463
DOI: 10.1021/acscombsci.7b00038
High-Throughput Platform for Synthesis of Melamine-Formaldehyde Microcapsules
ACS Comb. Sci., 2017, 19 (7), pp 447–454
DOI: 10.1021/acscombsci.7b00037
Synthesis and Screening of Phase Change Chalcogenide Thin Film Materials for Data Storage
ACS Comb. Sci., 2017, 19 (7), pp 478–491
DOI: 10.1021/acscombsci.7b00047
Synthesis of Aminofuran-Linked Benzimidazoles and Cyanopyrrole-Fused Benzimidazoles by Condition-Based Skeletal Divergence
ACS Comb. Sci., 2017, 19 (7), pp 492–499
DOI: 10.1021/acscombsci.7b00052
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A Conversation with Michael Grätzel
ACS Energy Lett., 2017, 2 (7), pp 1674–1676
DOI: 10.1021/acsenergylett.7b00523
What’s so Hot about Electrons in Metal Nanoparticles?
Open Access through ACS Editors’ Choice
ACS Energy Lett., 2017, 2 (7), pp 1641–1653
DOI: 10.1021/acsenergylett.7b00333
Efficient Activation of Li2S by Transition Metal Phosphides Nanoparticles for Highly Stable Lithium–Sulfur Batteries
ACS Energy Lett., 2017, 2 (7), pp 1711–1719
DOI: 10.1021/acsenergylett.7b00465
Performance Metrics Required of Next-Generation Batteries to Make a Practical Electric Semi Truck
ACS Energy Lett., 2017, 2 (7), pp 1669–1673
DOI: 10.1021/acsenergylett.7b00432
Suppressed Ion Migration in Low-Dimensional Perovskites
Open Access through ACS Editors’ Choice
ACS Energy Lett., 2017, 2 (7), pp 1571–1572
DOI: 10.1021/acsenergylett.7b00442
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ACS Infectious Diseases
In Vivo-Selected Pyrazinoic Acid-Resistant Mycobacterium tuberculosis Strains Harbor Missense Mutations in the Aspartate Decarboxylase PanD and the Unfoldase ClpC1
Open Access through ACS AuthorChoice
ACS Infect. Dis., 2017, 3 (7), pp 492–501
DOI: 10.1021/acsinfecdis.7b00017
Unravelling the Molecular Basis of High Affinity Nanobodies against HIV p24: In Vitro Functional, Structural, and in Silico Insights
ACS Infect. Dis., 2017, 3 (7), pp 479–491
DOI: 10.1021/acsinfecdis.6b00189
Structural Basis for Xenosiderophore Utilization by the Human Pathogen Staphylococcus aureus
ACS Infect. Dis., 2017, 3 (7), pp 542–553
DOI: 10.1021/acsinfecdis.7b00036
Overcoming an Extremely Drug Resistant (XDR) Pathogen: Avibactam Restores Susceptibility to Ceftazidime for Burkholderia cepacia Complex Isolates from Cystic Fibrosis Patients
ACS Infect. Dis., 2017, 3 (7), pp 502–511
DOI: 10.1021/acsinfecdis.7b00020
An Acyl-Linked Dimer of Daptomycin Is Strongly Inhibited by the Bacterial Cell Wall
ACS Infect. Dis., 2017, 3 (7), pp 462–466
DOI: 10.1021/acsinfecdis.7b00019
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ACS Medicinal Chemistry Letters
Improving Metabolic Stability with Deuterium: The Discovery of BMT-052, a Pan-genotypic HCV NS5B Polymerase Inhibitor
ACS Med. Chem. Lett., 2017, 8 (7), pp 771–774
DOI: 10.1021/acsmedchemlett.7b00211
Taking Pharmaceutical Innovation to the Masses
ACS Med. Chem. Lett., 2017, 8 (7), pp 686–689
DOI: 10.1021/acsmedchemlett.7b00173
Seeking (and Finding) Biased Ligands of the Kappa Opioid Receptor
ACS Med. Chem. Lett., 2017, 8 (7), pp 694–700
DOI: 10.1021/acsmedchemlett.7b00224
Synthesis and Biological Evaluation of Paclitaxel and Camptothecin Prodrugs on the Basis of 2-Nitroimidazole
ACS Med. Chem. Lett., 2017, 8 (7), pp 762–765
DOI: 10.1021/acsmedchemlett.7b00189
Biosimilars: Imitation Games
ACS Med. Chem. Lett., 2017, 8 (7), pp 690–693
DOI: 10.1021/acsmedchemlett.7b00199
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ACS Sensors
3D Printed “Earable” Smart Devices for Real-Time Detection of Core Body Temperature
Open Access through ACS Editors’ Choice
ACS Sens., 2017, 2 (7), pp 990–997
DOI: 10.1021/acssensors.7b00247
Two-Dimensional Zirconium-Based Metal–Organic Framework Nanosheet Composites Embedded with Au Nanoclusters: A Highly Sensitive Electrochemical Aptasensor toward Detecting Cocaine
ACS Sens., 2017, 2 (7), pp 998–1005
DOI: 10.1021/acssensors.7b00268
A Wearable and Highly Sensitive Graphene Strain Sensor for Precise Home-Based Pulse Wave Monitoring
ACS Sens., 2017, 2 (7), pp 967–974
DOI: 10.1021/acssensors.7b00230
Highly Efficient Gas Sensor Using a Hollow SnO2 Microfiber for Triethylamine Detection
ACS Sens., 2017, 2 (7), pp 897–902
DOI: 10.1021/acssensors.7b00276
Plasmon Field-Enhanced Fluorescence Energy Transfer for Hairpin Aptamer Assay Readout
ACS Sens., 2017, 2 (7), pp 916–923
DOI: 10.1021/acssensors.7b00131
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ACS Sustainable Chemistry & Engineering’s Impact Factor Continues To Rise
ACS Sustainable Chem. Eng., 2017, 5 (7), pp 5617–5617
DOI: 10.1021/acssuschemeng.7b01938
Two-Dimensional Cobalt/N-Doped Carbon Hybrid Structure Derived from Metal–Organic Frameworks as Efficient Electrocatalysts for Hydrogen Evolution
ACS Sustainable Chem. Eng., 2017, 5 (7), pp 5646–5650
DOI: 10.1021/acssuschemeng.7b00598
Rigid Polyurethane Foam Fabrication Using Medium Chain Glycerides of Coconut Oil and Plastics from End-of-Life Vehicles
Open Access through ACS Editors’ Choice
ACS Sustainable Chem. Eng., 2017, 5 (7), pp 6237–6246
DOI: 10.1021/acssuschemeng.7b01197
Efficient and Rapid Removal of Environmental Malignant Arsenic(III) and Industrial Dyes Using Reusable, Recoverable Ternary Iron Oxide – ORMOSIL – Reduced Graphene Oxide Composite
ACS Sustainable Chem. Eng., 2017, 5 (7), pp 5912–5921
DOI: 10.1021/acssuschemeng.7b00632
A Self-Healing Cellulose Nanocrystal-Poly(ethylene glycol) Nanocomposite Hydrogel via Diels–Alder Click Reaction
ACS Sustainable Chem. Eng., 2017, 5 (7), pp 6167–6174
DOI: 10.1021/acssuschemeng.7b01060
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ACS Synthetic Biology
A Straightforward Approach for 3D Bacterial Printing
Open Access through ACS AuthorChoice
ACS Synth. Biol., 2017, 6 (7), pp 1124–1130
DOI: 10.1021/acssynbio.6b00395
A Visual Language for Protein Design
ACS Synth. Biol., 2017, 6 (7), pp 1120–1123
DOI: 10.1021/acssynbio.6b00286
ROC’n’Ribo: Characterizing a Riboswitching Expression System by Modeling Single-Cell Data
ACS Synth. Biol., 2017, 6 (7), pp 1211–1224
DOI: 10.1021/acssynbio.6b00322
Introducing Our Authors
ACS Synth. Biol., 2017, 6 (7), pp 1235–1247
DOI: 10.1021/acssynbio.7b00232
Repurposing a Two-Component System-Based Biosensor for the Killing of Vibrio cholerae
ACS Synth. Biol., 2017, 6 (7), pp 1403–1415
DOI: 10.1021/acssynbio.7b00058
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Analytical Chemistry
Highly Fe3+-Selective Fluorescent Nanoprobe Based on Ultrabright N/P Codoped Carbon Dots and Its Application in Biological Samples
Anal. Chem., 2017, 89 (14), pp 7477–7484
DOI: 10.1021/acs.analchem.7b01053
Intracellular Messenger RNA Triggered Catalytic Hairpin Assembly for Fluorescence Imaging Guided Photothermal Therapy
Anal. Chem., 2017, 89 (14), pp 7277–7281
DOI: 10.1021/acs.analchem.7b01348
Investigation of Drug-Induced Hepatotoxicity and Its Remediation Pathway with Reaction-Based Fluorescent Probes
Anal. Chem., 2017, 89 (14), pp 7693–7700
DOI: 10.1021/acs.analchem.7b01671
From Electrochemistry to Electroluminescence: Development and Application in a Ratiometric Aptasensor for Aflatoxin B1
Anal. Chem., 2017, 89 (14), pp 7578–7585
DOI: 10.1021/acs.analchem.7b01399
Species Identification of Necrophagous Insect Eggs Based on Amino Acid Profile Differences Revealed by Direct Analysis in Real Time-High Resolution Mass Spectrometry
Anal. Chem., 2017, 89 (14), pp 7719–7726
DOI: 10.1021/acs.analchem.7b01708
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Chemical Research in Toxicology
A Novel Dual-Color Luciferase Reporter Assay for Simultaneous Detection of Estrogen and Aryl Hydrocarbon Receptor Activation
Chem. Res. Toxicol., 2017, 30 (7), pp 1436–1447
DOI: 10.1021/acs.chemrestox.7b00076
Mass Spectrometric Characterization of Circulating Covalent Protein Adducts Derived from Epoxide Metabolites of Carbamazepine in Patients
Chem. Res. Toxicol., 2017, 30 (7), pp 1419–1435
DOI: 10.1021/acs.chemrestox.7b00063
Spotlight
Chem. Res. Toxicol., 2017, 30 (7), pp 1367–1368
DOI: 10.1021/acs.chemrestox.7b00168
Mechanism of Off-Target Interactions and Toxicity of Tamoxifen and Its Metabolites
Chem. Res. Toxicol., 2017, 30 (7), pp 1492–1507
DOI: 10.1021/acs.chemrestox.7b00112
Effects of Topography-Related Puff Parameters on Carbonyl Delivery in Mainstream Cigarette Smoke
Chem. Res. Toxicol., 2017, 30 (7), pp 1463–1469
DOI: 10.1021/acs.chemrestox.7b00104
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Crystal Growth & Design
Polar Pore Surface Guided Selective CO2 Adsorption in a Prefunctionalized Metal–Organic Framework
Cryst. Growth Des., 2017, 17 (7), pp 3581–3587
DOI: 10.1021/acs.cgd.7b00141
3D Inorganic Cuprous Iodide Open-Framework Templated by In Situ N-Methylated 2,4,6-Tri(4-pyridyl)-1,3,5-triazine
Cryst. Growth Des., 2017, 17 (7), pp 3588–3591
DOI: 10.1021/acs.cgd.7b00296
Cadmium Metal–Organic Frameworks Based on Ditopic Triazamacrocyclic Linkers: Unusual Structural Features and Selective CO2 Capture
Cryst. Growth Des., 2017, 17 (7), pp 3665–3676
DOI: 10.1021/acs.cgd.7b00217
Combining Polycarboxylate and Bipyridyl-like Ligands in the Design of Luminescent Zinc and Cadmium Based Metal–Organic Frameworks
Cryst. Growth Des., 2017, 17 (7), pp 3893–3906
DOI: 10.1021/acs.cgd.7b00522
Synthesis, Structural Diversity, and Properties of Cd Metal–Organic Frameworks Based on 2-(5-Bromo-pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate and N-Heterocyclic Ancillary Ligands
Cryst. Growth Des., 2017, 17 (7), pp 3616–3624
DOI: 10.1021/acs.cgd.6b01768
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Energy & Fuels
Mild Hydrogenation of Lignin Depolymerization Products Over Ni/SiO2 Catalyst
Energy Fuels, 2017, 31 (7), pp 7208–7213
DOI: 10.1021/acs.energyfuels.7b00934
Noncatalytic Direct Liquefaction of Biorefinery Lignin by Ethanol
Energy Fuels, 2017, 31 (7), pp 7223–7233
DOI: 10.1021/acs.energyfuels.7b00968
Heavy Oil Based Mixtures of Different Origins and Treatments Studied by Atomic Force Microscopy
Energy Fuels, 2017, 31 (7), pp 6856–6861
DOI: 10.1021/acs.energyfuels.7b00805
Investigation of Oil Potential in Saline Lacustrine Shale: A Case Study of the Middle Permian Pingdiquan Shale (Lucaogou Equivalent) in the Junggar Basin, Northwest China
Energy Fuels, 2017, 31 (7), pp 6670–6688
DOI: 10.1021/acs.energyfuels.7b00294
Wettability of Supercritical CO2–Brine–Mineral: The Effects of Ion Type and Salinity
Energy Fuels, 2017, 31 (7), pp 7317–7324
DOI: 10.1021/acs.energyfuels.7b00840
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Environmental Science & Technology
Three Lessons for the Microplastics Voyage
Environ. Sci. Technol., 2017, 51 (14), pp 7747–7748
DOI: 10.1021/acs.est.7b03340
Review of Organic Wastewater Compound Concentrations and Removal in Onsite Wastewater Treatment Systems
Open Access Through ACS AuthorChoice
Environ. Sci. Technol., 2017, 51 (13), pp 7304–7317
DOI: 10.1021/acs.est.6b04778
Microbes and the Next Nitrogen Revolution
Environ. Sci. Technol., 2017, 51 (13), pp 7297–7303
DOI: 10.1021/acs.est.7b00916
Factors Shaping the Human Exposome in the Built Environment: Opportunities for Engineering Control
Environ. Sci. Technol., 2017, 51 (14), pp 7759–7774
DOI: 10.1021/acs.est.7b01097
Phosphate Shifted Oxygen Reduction Pathway on Fe@Fe2O3 Core–Shell Nanowires for Enhanced Reactive Oxygen Species Generation and Aerobic 4-Chlorophenol Degradation
Environ. Sci. Technol., 2017, 51 (14), pp 8101–8109
DOI: 10.1021/acs.est.7b01896
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Environmental Science & Technology Letters
Impacts of Biofilm Formation on the Fate and Potential Effects of Microplastic in the Aquatic Environment
Environ. Sci. Technol. Lett., 2017, 4 (7), pp 258–267
DOI: 10.1021/acs.estlett.7b00164
Robust Solid-Contact Ion Selective Electrodes for High-Resolution In Situ Measurements in Fresh Water Systems
Environ. Sci. Technol. Lett., 2017, 4 (7), pp 286–291
DOI: 10.1021/acs.estlett.7b00130
Are There Nanoplastics in Your Personal Care Products?
Environ. Sci. Technol. Lett., 2017, 4 (7), pp 280–285
DOI: 10.1021/acs.estlett.7b00187
Brine Discharge: One Size Does Not Fit All
Environ. Sci. Technol. Lett., 2017, 4 (7), pp 256–257
DOI: 10.1021/acs.estlett.7b00233
Arsenolipids Detected in the Milk of Nursing Mothers
Environ. Sci. Technol. Lett., 2017, 4 (7), pp 273–279
DOI: 10.1021/acs.estlett.7b00181
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Industrial & Engineering Chemistry Research
Plantwide Control: A Review of Design Techniques, Benchmarks, and Challenges
Ind. Eng. Chem. Res., 2017, 56 (28), pp 7877–7887
DOI: 10.1021/acs.iecr.7b00416
Development of Potassium- and Sodium-Promoted CaO Adsorbents for CO2 Capture at High Temperatures
Ind. Eng. Chem. Res., 2017, 56 (29), pp 8292–8300
DOI: 10.1021/acs.iecr.7b01587
Activation and Utilization of CO2 Using Ionic Liquid or Amine-Functionalized Basic Nanocrystalline Zeolites for the Synthesis of Cyclic Carbonates and Quinazoline-2,4(1H,3H)-dione
Ind. Eng. Chem. Res., 2017, 56 (29), pp 8202–8215
DOI: 10.1021/acs.iecr.7b01406
A Functional Full-Scale Heat Exchanger Coated with Aluminum Fumarate Metal–Organic Framework for Adsorption Heat Transformation
Ind. Eng. Chem. Res., 2017, 56 (29), pp 8393–8398
DOI: 10.1021/acs.iecr.7b00106
Review of Microfluidic Liquid–Liquid Extractors
Ind. Eng. Chem. Res., 2017, 56 (27), pp 7593–7622
DOI: 10.1021/acs.iecr.7b01712
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Journal of Agricultural and Food Chemistry
Safety Assessment of Food and Feed from GM Crops in Europe: Evaluating EFSA’s Alternative Framework for the Rat 90-day Feeding Study
Open Access Through ACS Editor’s Choice
J. Agric. Food Chem., 2017, 65 (27), pp 5545–5560
DOI: 10.1021/acs.jafc.7b01492
The Discovery of Citral-Like Thiophenes in Fried Chicken
J. Agric. Food Chem., 2017, 65 (28), pp 5690–5699
DOI: 10.1021/acs.jafc.7b01371
Isolation and Characterization of Sesquiterpenoids from Cassia Buds and Their Antimicrobial Activities
J. Agric. Food Chem., 2017, 65 (28), pp 5614–5619
DOI: 10.1021/acs.jafc.7b01294
Characterization of the Saffron Derivative Crocetin as an Inhibitor of Human Lactate Dehydrogenase 5 in the Antiglycolytic Approach against Cancer
J. Agric. Food Chem., 2017, 65 (28), pp 5639–5649
DOI: 10.1021/acs.jafc.7b01668
Gastrointestinal Simulation Model TWIN-SHIME Shows Differences between Human Urolithin-Metabotypes in Gut Microbiota Composition, Pomegranate Polyphenol Metabolism, and Transport along the Intestinal Tract
Open Access Through ACS AuthorChoice
J. Agric. Food Chem., 2017, 65 (27), pp 5480–5493
DOI: 10.1021/acs.jafc.7b02049
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Journal of Chemical & Engineering Data
ACS Virtual Issue on Deep Eutectic Solvents
J. Chem. Eng. Data, 2017, 62 (7), pp 1927–1928
DOI: 10.1021/acs.jced.7b00545
Temperature Dependence of the Parameters in the Pitzer Equations
J. Chem. Eng. Data, 2017, 62 (7), pp 2000–2013
DOI: 10.1021/acs.jced.7b00022
Addendum to “Further Development of Modified UNIFAC (Dortmund): Revision and Extension 6”
J. Chem. Eng. Data, 2017, 62 (7), pp 2230–2230
DOI: 10.1021/acs.jced.7b00403
Efficient Mechanochemical Synthesis of MOF-5 for Linear Alkanes Adsorption
J. Chem. Eng. Data, 2017, 62 (7), pp 2030–2036
DOI: 10.1021/acs.jced.7b00049
Phase Equilibrium in the Aqueous Ternary System KH2PO4–NaH2PO4–H2O at 288.15 and 318.15 K
J. Chem. Eng. Data, 2017, 62 (7), pp 1994–1999
DOI: 10.1021/acs.jced.7b00020
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Journal of Chemical Information and Modeling
Machine Learning Consensus Scoring Improves Performance Across Targets in Structure-Based Virtual Screening
J. Chem. Inf. Model., 2017, 57 (7), pp 1579–1590
DOI: 10.1021/acs.jcim.7b00153
Discovery and Evaluation of Anti-Fibrinolytic Plasmin Inhibitors Derived from 5-(4-Piperidyl)isoxazol-3-ol (4-PIOL)
J. Chem. Inf. Model., 2017, 57 (7), pp 1703–1714
DOI: 10.1021/acs.jcim.7b00255
Modeling Binding with Large Conformational Changes: Key Points in Ensemble-Docking Approaches
J. Chem. Inf. Model., 2017, 57 (7), pp 1563–1578
DOI: 10.1021/acs.jcim.7b00125
Statistical Analysis, Investigation, and Prediction of the Water Positions in the Binding Sites of Proteins
J. Chem. Inf. Model., 2017, 57 (7), pp 1517–1528
DOI: 10.1021/acs.jcim.6b00620
Rigidity Strengthening: A Mechanism for Protein–Ligand Binding
J. Chem. Inf. Model., 2017, 57 (7), pp 1715–1721
DOI: 10.1021/acs.jcim.7b00226
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Journal of Chemical Theory and Computation
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
J. Chem. Theory Comput., 2017, 13 (7), pp 3185–3197
DOI: 10.1021/acs.jctc.7b00174
Quantitative Characterization of the Binding and Unbinding of Millimolar Drug Fragments with Molecular Dynamics Simulations
J. Chem. Theory Comput., 2017, 13 (7), pp 3372–3377
DOI: 10.1021/acs.jctc.7b00172
Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration
J. Chem. Theory Comput., 2017, 13 (7), pp 3077–3084
DOI: 10.1021/acs.jctc.7b00102
Free Energy Reconstruction from Logarithmic Mean-Force Dynamics Using Multiple Nonequilibrium Trajectories
J. Chem. Theory Comput., 2017, 13 (7), pp 3106–3119
DOI: 10.1021/acs.jctc.7b00252
Arbitrary Angular Momentum Electron Repulsion Integrals with Graphical Processing Units: Application to the Resolution of Identity Hartree–Fock Method
J. Chem. Theory Comput., 2017, 13 (7), pp 3160–3170
DOI: 10.1021/acs.jctc.7b00030
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Journal of Medicinal Chemistry
The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database
Open Access Through ACS Editor’s Choice
J. Med. Chem., 2017, 60 (14), pp 6440–6450
DOI: 10.1021/acs.jmedchem.7b00809
Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1
J. Med. Chem., 2017, 60 (13), pp 5857–5867
DOI: 10.1021/acs.jmedchem.7b00293
Design, Synthesis, and Pharmacological Evaluation of Novel Multisubstituted Pyridin-3-amine Derivatives as Multitargeted Protein Kinase Inhibitors for the Treatment of Non-Small Cell Lung Cancer
J. Med. Chem., 2017, 60 (14), pp 6018–6035
DOI: 10.1021/acs.jmedchem.7b00076
Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo
J. Med. Chem., 2017, 60 (13), pp 5717–5735
DOI: 10.1021/acs.jmedchem.7b00425
Identification and Optimization of Pyrrolo[3,2-d]pyrimidine Toll-like Receptor 7 (TLR7) Selective Agonists for the Treatment of Hepatitis B
J. Med. Chem., 2017, 60 (14), pp 6137–6151
DOI: 10.1021/acs.jmedchem.7b00365
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The Journal of Physical Chemistry A
Can Orbitals Really Be Observed in Scanning Tunneling Microscopy Experiments?
J. Phys. Chem. A, 2017, 121 (26), pp 4851–4852
DOI: 10.1021/acs.jpca.7b05789
“New Physical Insights” in Theoretical and Computational Studies
J. Phys. Chem. A, 2017, 121 (26), pp 4850–4850
DOI: 10.1021/acs.jpca.7b05908
Considering “Physical Insights” in Theoretical Studies of Gas Phase Processes
J. Phys. Chem. A, 2017, 121 (26), pp 4853–4854
DOI: 10.1021/acs.jpca.7b05943
Physical Chemistry in India
J. Phys. Chem. A, 2017, 121 (26), pp 4843–4849
DOI: 10.1021/acs.jpca.7b05681
DFT/TDDFT Study on the Sensing Mechanism of a Fluorescent Probe for Hydrogen Sulfide: Excited State Intramolecular Proton Transfer Coupled Twisted Intramolecular Charge Transfer
J. Phys. Chem. A, 2017, 121 (28), pp 5245–5256
DOI: 10.1021/acs.jpca.7b02606
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The Journal of Physical Chemistry B
Physical Chemistry in India
J. Phys. Chem. B, 2017, 121 (26), pp 6287–6293
DOI: 10.1021/acs.jpcb.7b05682
More than Virtual Reality: Important New Physical Insights in Simulations of Biomolecules and Synthetic Polymers
J. Phys. Chem. B, 2017, 121 (26), pp 6294–6294
DOI: 10.1021/acs.jpcb.7b05957
Origin of the Non-Arrhenius Behavior of the Rates of Enzymatic Reactions
J. Phys. Chem. B, 2017, 121 (27), pp 6520–6526
DOI: 10.1021/acs.jpcb.7b03698
“New Physical Chemistry Insight” in Experimental Bio-Physical Chemistry
J. Phys. Chem. B, 2017, 121 (27), pp 6455–6455
DOI: 10.1021/acs.jpcb.7b05757
Do Halogen–Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand–Protein Binding?
Open access through ACS AuthorChoice
J. Phys. Chem. B, 2017, 121 (28), pp 6813–6821
DOI: 10.1021/acs.jpcb.7b04198
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The Journal of Physical Chemistry C
New Physical Chemistry Insight for Solid-State Materials
J. Phys. Chem. C, 2017, 121 (26), pp 13984–13985
DOI: 10.1021/acs.jpcc.7b05878
Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks
J. Phys. Chem. C, 2017, 121 (28), pp 15135–15144
DOI: 10.1021/acs.jpcc.7b02302
Mobile-Ion-Induced Degradation of Organic Hole-Selective Layers in Perovskite Solar Cells
J. Phys. Chem. C, 2017, 121 (27), pp 14517–14523
DOI: 10.1021/acs.jpcc.7b04684
Borophene as Efficient Sulfur Hosts for Lithium–Sulfur Batteries: Suppressing Shuttle Effect and Improving Conductivity
J. Phys. Chem. C, 2017, 121 (29), pp 15549–15555
DOI: 10.1021/acs.jpcc.7b03741
Impacts of Salt, Buffer, and Lipid Nature on Molecular Adsorption and Transport in Liposomes As Observed by Second Harmonic Generation
J. Phys. Chem. C, 2017, 121 (29), pp 15851–15860
DOI: 10.1021/acs.jpcc.7b05058
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The Journal of Physical Chemistry Letters
Physical Chemistry in India
J. Phys. Chem. Lett., 2017, 8 (13), pp 3122–3128
DOI: 10.1021/acs.jpclett.7b01499
How to Avoid Artifacts in Surface Photovoltage Measurements: A Case Study with Halide Perovskites
J. Phys. Chem. Lett., 2017, 8 (13), pp 2941–2943
DOI: 10.1021/acs.jpclett.7b01332
Correlation between Photoluminescence and Carrier Transport and a Simple In Situ Passivation Method for High-Bandgap Hybrid Perovskites
Open access through ACS Editors’ Choice
J. Phys. Chem. Lett., 2017, 8 (14), pp 3289–3298
DOI: 10.1021/acs.jpclett.7b01185
How Cubic Can Ice Be?
Open access through ACS AuthorChoice
J. Phys. Chem. Lett., 2017, 8 (14), pp 3216–3222
DOI: 10.1021/acs.jpclett.7b01142
Suppressing Excimers in H-Aggregates of Perylene Bisimide Folda-Dimer: Role of Dimer Conformation and Competing Assembly Pathways
J. Phys. Chem. Lett., 2017, 8 (14), pp 3427–3432
DOI: 10.1021/acs.jpclett.7b01338
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Journal of Proteome Research
Noncoding after All: Biases in Proteomics Data Do Not Explain Observed Absence of lncRNA Translation Products
Open access through ACS Editors’ Choice
J. Proteome Res., 2017, 16 (7), pp 2508–2515
DOI: 10.1021/acs.jproteome.7b00085
In-Culture Cross-Linking of Bacterial Cells Reveals Large-Scale Dynamic Protein–Protein Interactions at the Peptide Level
Open access through ACS AuthorChoice
J. Proteome Res., 2017, 16 (7), pp 2457–2471
DOI: 10.1021/acs.jproteome.7b00068
Improvements in Mass Spectrometry Assay Library Generation for Targeted Proteomics
J. Proteome Res., 2017, 16 (7), pp 2384–2392
DOI: 10.1021/acs.jproteome.6b00928
Quantitative Performance Evaluator for Proteomics (QPEP): Web-based Application for Reproducible Evaluation of Proteomics Preprocessing Methods
J. Proteome Res., 2017, 16 (7), pp 2359–2369
DOI: 10.1021/acs.jproteome.6b00882
Quantitative Proteomics Analysis Confirmed Oxidative Metabolism Predominates in Streptomyces coelicolor versus Glycolytic Metabolism in Streptomyces lividans
J. Proteome Res., 2017, 16 (7), pp 2597–2613
DOI: 10.1021/acs.jproteome.7b00163
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Molecular Pharmaceutics
Clinically Relevant Multidrug Transporters Are Regulated by microRNAs along the Human Intestine
Open access through ACS Editors’ Choice
Mol. Pharmaceutics, 2017, 14 (7), pp 2245–2253
DOI: 10.1021/acs.molpharmaceut.7b00076
Impact of Drug-Rich Colloids of Itraconazole and HPMCAS on Membrane Flux in Vitro and Oral Bioavailability in Rats
Open access through ACS AuthorChoice
Mol. Pharmaceutics, 2017, 14 (7), pp 2437–2449
DOI: 10.1021/acs.molpharmaceut.7b00338
Chitosan/Hyaluronic Acid Nanoparticles: Rational Design Revisited for RNA Delivery
Mol. Pharmaceutics, 2017, 14 (7), pp 2422–2436
DOI: 10.1021/acs.molpharmaceut.7b00320
Targeting the Central Nervous System (CNS): A Review of Rabies Virus-Targeting Strategies
Mol. Pharmaceutics, 2017, 14 (7), pp 2177–2196
DOI: 10.1021/acs.molpharmaceut.7b00158
In Vivo Pretargeted Imaging of HER2 and TAG-72 Expression Using the HaloTag Enzyme
Open access through ACS AuthorChoice
Mol. Pharmaceutics, 2017, 14 (7), pp 2307–2313
DOI: 10.1021/acs.molpharmaceut.7b00172
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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 (7), pp 897–910
DOI: 10.1021/acs.oprd.7b00219
Risk Considerations on Developing a Continuous Crystallization System for Carbamazepine
Open access through ACS Editors’ Choice
Org. Process Res. Dev., 2017, 21 (7), pp 1021–1033
DOI: 10.1021/acs.oprd.7b00130
Continuous Photo-Oxidation in a Vortex Reactor: Efficient Operations Using Air Drawn from the Laboratory
Open access through ACS AuthorChoice
Org. Process Res. Dev., 2017, 21 (7), pp 1042–1050
DOI: 10.1021/acs.oprd.7b00153
Screwing NaBH4 through a Barrel without a Bang: A Kneaded Alternative to Fed-Batch Carbonyl Reductions
Org. Process Res. Dev., 2017, 21 (7), pp 992–1002
DOI: 10.1021/acs.oprd.7b00107
Cp2TiCl: An Ideal Reagent for Green Chemistry?
Org. Process Res. Dev., 2017, 21 (7), pp 911–923
DOI: 10.1021/acs.oprd.7b00098
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Analytical Chemistry | Biological Chemistry | Materials Science & Engineering | Multidisciplinary Chemistry | Organic/Inorganic Chemistry | Physical Chemistry
