November 2018 - ACS Axial | ACS Publications
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Starting Your Paper: When Should You Start Writing?

Writing your research paper is as important as the research itself. It’s what people see. It can also help outline subsequent avenues to explore before you’ve finished.

Stuart Rowan, Ph.D., Barry L MacLean Professor for Molecular Engineering Innovation and Enterprise at the University of Chicago and Editor-in-Chief of ACS Macro Letters puts it best by saying don’t wait until the research is completed. As you write the story, he says, more experiments may need to be highlighted. You should start once you begin to see where the story is, even though it isn’t complete because a draft will help guide you, he says.

Oleg V. Prezhdo, Ph.D., Professor of Chemistry at the University of Southern California and Senior Editor of The Journal of Physical Chemistry Letters says to start writing in the middle of the research process. Scientists should ideally have an outline in mind before even starting their research, he says.

A suggestion Prashant Kamat, Ph.D., John A. Zahm Professor of Science at the Unviersity of Notre Dame and Editor-in-Chief of ACS Energy Letters, gives his students is to write one page a day. It could be about what you did or about something you read a paper about, summarized in a single page. This way all your information is already condensed and ready to be formed into a paper. Regular practice and discipline are essential to writing a great research paper, he says.

For more publishing tips, visit the ACS Publishing Center, a centralized hub for researchers to prepare and track manuscripts. This website features centralization of information for ease of discovery of resources on submission, open access licensing, peer review education and more. Customized publishing information, including tracking of your published work, is available upon login. Log in today to discover how the ACS Publishing Center can help you advance your research.


ACS Editors’ Choice: Enabling Wound Healing With Wearable Nanogenerators

This week: Enabling wound healing with wearable nanogenerators — and more!

Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.

Check out this week’s picks!
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Prediction of Adsorption Energies for Chemical Species on Metal Catalyst Surfaces Using Machine Learning

J. Phys. Chem. C, Article ASAP
DOI: 10.1021/acs.jpcc.8b09284
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Effective Wound Healing Enabled by Discrete Alternative Electric Fields from Wearable Nanogenerators

ACS Nano, Article ASAP
DOI: 10.1021/acsnano.8b07038
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Process Development of a Suzuki Reaction Used in the Manufacture of Lanabecestat

Org. Process Res. Dev., Article ASAP
DOI: 10.1021/acs.oprd.8b00312
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Mercury Stable Isotope Fractionation during Abiotic Dark Oxidation in the Presence of Thiols and Natural Organic Matter

Environ. Sci. Technol., Article ASAP
DOI: 10.1021/acs.est.8b05047
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Toward a Comprehensive Global Emission Inventory of C4–C10 Perfluoroalkanesulfonic Acids (PFSAs) and Related Precursors: Focus on the Life Cycle of C6- and C10-Based Products

Environ. Sci. Technol. Lett., Article ASAP
DOI: 10.1021/acs.estlett.8b00531
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Resonance-Frequency Modulation for Rapid, Point-of-Care Ebola-Glycoprotein Diagnosis with a Graphene-Based Field-Effect Biotransistor

Anal. Chem., Article ASAP
DOI: 10.1021/acs.analchem.8b03226
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N-Silylenamines as Reactive Intermediates: Hydroamination for the Modular Synthesis of Selectively Substituted Pyridines

Org. Lett., 2018, 20 (21), pp 6663–6667
DOI: 10.1021/acs.orglett.8b02703

***
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Uncovering the Chemical Secrets of Burned Bones

Burned bones hold stories. From them, anthropologists can gather clues about how an ancient culture dealt with its dead or cooked its meat; forensic scientists might glean identifying information about victims of a house fire or a terrorist attack. Yet it has been notoriously difficult to extract useful information from burned bones because fire dramatically changes their chemical nature and appearance.

In a new study, researchers report that Fourier transform infrared spectroscopy (FT-IR) can not only differentiate bone burned in a fire from unburned bone but also distinguish it from fossilized bone, the composition of which might resemble that of burned bone. “To make a thorough and reliable analysis of skeletal remains, it would be very, very useful to know whether bone had been burned or not,” says David Gonçalves, a biological anthropologist at Portugal’s Archaeosciences Laboratory of the Directorate General for Cultural Heritage. “For biological anthropologists, this is probably the most difficult human material to work with.”

A key component of bone is a form of calcium phosphate called bioapatite. When burned, it becomes a more crystalline hydroxyapatite, with hydroxyl groups replacing some of the carbon and phosphates in the mineral, explains Tim Thompson, a biological anthropologist at Teesside University who was not involved in the work.

Previous studies have shown that FT-IR can determine if a bone specimen was burned based on the relative amounts of hydroxyl and phosphate appearing in the spectrum. But Gonçalves wanted to compare the different methods and determine whether FT-IR could distinguish such burned bones from fossilized bone samples, which also become more crystalline over time due to minerals replacing the bone tissue. Gonçalves and his colleagues tried their FT-IR-based approach on modern human bone samples—both unburned samples and ones they burned experimentally at various temperatures—as well as cremated human remains from Bronze and Iron Age burial sites in Spain and Italy. They also examined fossilized bones of ancient reptiles.

They found that the right combination of spectral analyses reliably identified bone burned at temperatures above 700 °C—indicative of direct exposure to fire—in both modern and ancient bone samples. At lower burn temperatures, organic matter and water still present in the bone interfere with the appearance of hydroxyl in the spectrum, Gonçalves says. At higher temperatures, these components get burned away, so the hydroxyl peak from the hydroxyapatite emerges more clearly.

Fossilized bone rarely shows the hydroxyl signal, the researchers found. The technique is the first to be able to separate burned from fossilized bone, Thompson says. “If it is reliable and robust, it will actually be quite useful.”

Knowing the burn temperature of a bone sample provides information about the bone’s context, Thompson explains. At an archaeological site, for example, an animal burned at high temperature might have been hunted and cooked, whereas a fossilized one might have died a natural death.

Thompson notes that the study is rather preliminary: Whether the approach can distinguish burned from fossilized bones found in different archaeological contexts—in soil, in a cave, or in water, for example— remains to be determined.

This article is reproduced with permission from C&EN (© American Chemical Society). The article was first published on October 24, 2018.

Crystal Growth & Design Editors Share Recent Research Highlights

Crystal Growth & Design (CG&D) Editor-in-Chief Robin Rogers and members of the journal’s editorial team highlight recent research published in CG&D, describing exciting findings in crystal growth, crystal engineering, and applications of crystalline materials. CG&D aims to facilitate innovation in every aspect of research and development in the crystalline state.

Crystal Engineering

External stimuli such as light, heat, and force can affect the molecular structure of single crystals. An understanding of these solid-state transformations is vital in crystal design and in the successful application of crystalline materials, for example as sensors or in optical devices.
“Purposeful design and control of the crystalline state of matter, promises to revolutionize technological applications of crystalline materials in a wide variety of fields from sensors and sorbents to pharmaceuticals.” – Robin Rogers, Editor-in-Chief
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Recent Advances in Single-Crystal-to-Single-Crystal Transformation at the Discrete Molecular Level


Cryst. Growth Des., 2017, 17 (5), pp 2893–2910;
DOI: 10.1021/acs.cgd.7b00154

“This review describes recent advances in Single-Crystal-to-Single-Crystal (SCSC) transformations, including those induced by heat, solvent, ion exchange, light, gas, and mechanochemical forces. SCSC has garnered significant interest over the past decade or so, because structural changes in such transformations can influence optical, magnetic, and other properties, and thus subsequent applications.” – Michael Zaworotko, Associate Editor
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Engineering Crystal Properties through Solid Solutions


(Open Access via ACS Editors’ Choice)
Cryst. Growth Des., 2018, 18 (6), pp 3704–3712;
DOI: 10.1021/acs.cgd.7b01643

“For decades, solid solutions have taken a backseat when it comes to the development of organic functional materials, largely due to the difficulties affiliated with their design. Lusi and co-workers triggered a new surge in interest in these materials through a series of papers that have significantly contributed to our understanding of solid solutions. This informative and thought-provoking review now highlights the great potential of solid solutions in the context of materials design. I expect it to revive interest in solid solutions and to trigger new studies that will help us understanding them even better.” – Dejan-Krešimir Bučar, Topic Editor

Advances in Metal-Organic Frameworks

The design, synthesis, and characterization of unique metal-organic frameworks opens avenues of exploration into potential uses of these coordination polymers. MOFs can be utilized for the separation and storage of gases, ions, or organic molecules, advancing diverse applications such hydrogen-based energy and pharmaceutical drug development.

“The explosion of interest in this field in the last 15 years is directly traceable to the incredible technological impact these designer materials could have in key areas of societal importance, not the least of which is carbon capture for mediating climate change.” – Robin Rogers, Editor-in-Chief
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Highly Fluorescent Metal–Organic Frameworks Based on a Benzene-Cored Tetraphenylethene Derivative with the Ability To Detect 2,4,6-Trinitrophenol in Water


Cryst. Growth Des., 2017, 17 (6), pp 3170–3177;
DOI: 10.1021/acs.cgd.7b00131

“Highly fluorescent and water stable MOFs were shown to exhibit selective sensing abilities of nitro explosives. The MOFs are designed to be aggregation induced emission (AIE) active by the selective choice of the linker. These materials display remarkable fluorescence properties with high quantum yields.” – Kumar Biradha, Associate Editor
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An Anionic Uranium-Based Metal–Organic Framework with Ultralarge Nanocages for Selective Dye Adsorption


Cryst. Growth Des., 2018, 18 (2), pp 576–580;
DOI: 10.1021/acs.cgd.7b01525

“The authors sought to design an anionic MOF with large pores and pore windows for the adsorption of large dye molecules from water. They recognized that porosity-limiting interpenetration is topologically precluded in MOFs based on 3,4-connected tbo nets, and so chose to construct their MOF using the trigonal-planar UO2(COO)3 PBU in conjunction with a square, tetratopic ligand. The resulting anionic MOF has exceptionally large pore cages measuring more than 30 Å across, with a calculated void space of 85.5% of the structure’s volume. This publication is noteworthy because it helps to expand the relatively-understudied uranium-based MOF subfield in the direction of highly-porous MOFs, while simultaneously serving as an excellent example of the effectiveness of rational, topologically-directed MOF design.” – Jing Li, Associate Editor

Co-Crystal Benefits in Biomedicine

A drug’s crystal form can be critical to how well it works in the human body. Co-crystals – wherein an active pharmaceutical ingredient and another compound are crystallized together in order to optimize biopharmaceutical properties – are not yet common but they have been shown to provide some unique therapeutic benefits.

“The incredible outpouring of research and development investment in pharmaceutical co-crystals is directly tied to the promise of new designer drugs that can overcome the currently limited pipeline of new pharmaceuticals.” – Robin Rogers, Editor-in-Chief
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Co-crystal of Tramadol Hydrochloride–Celecoxib (ctc): A Novel API–API Co-crystal for the Treatment of Pain


Cryst. Growth Des., 2017, 17 (4), pp 1884–1892;
DOI: 10.1021/acs.cgd.6b01848

“Cocrystals, crystals comprising two or more solid compounds (coformers), are increasingly being utilized to optimize the biopharmaceutical properties of active pharmaceutical ingredients (APIs). Here, the authors report a cocrystal formed between two APIs that are painkillers, tramadol and celecoxib. The new solid form confers clinical advantages with respect to dissolution, drug release, and pharmacokinetics that cannot be achieved with a physical mixture of the two APIs.”– Michael Zaworotko, Associate Editor
***
Exploration of Solid Forms of Crisaborole: Crystal Engineering Identifies Polymorphism in Commercial Sources and Facilitates Cocrystal Formation


Cryst. Growth Des., 2018, 18 (8), pp 4416–4419;
DOI: 10.1021/acs.cgd.8b00375

“Crystal Engineering brings out the sleuth in all of us!” – Robin Rogers, Editor-in-Chief

Keeping Up with the Dr. Joneses: How to Keep Up with Scientific Literature to Advance Your Research

Staying competitive as a researcher is hard. You need to ensure the success of your experiments while simultaneously keeping an eye on your competitors. Because time is one of your most precious resources, it can be tempting to focus solely on your drug, molecule, or gene, but the reality is that to be truly competitive, you must look beyond your niche and view the entire field. So, how can you keep up with the Dr. Joneses with very limited time?

The daily reality of research can get in the way of your scientific career

The research world is more competitive than ever before, especially in industry. Although every company has almost infinite experimental possibilities, they’re all restrained by a finite amount of resources, meaning that profit margins must be maintained to support the next set of breakthroughs. This translates to fixed R&D budgets, where departments and groups must justify why they deserve a slice. What’s more, as technology evolves (allowing us to push boundaries), costs escalate. This means that each group will need to ask for more support to be competitive. The situation is similar in academia. Funds for grants are finite, and only a very lucky few receive money. Across industry and academia, this financial reality fosters a competitive culture where high performance and being unique are what matter most.

It’s no secret that high quality, accurate data underpins success: it pushes your research to the next level and secures further funding for your department. Most researchers are striving toward the holy grail of exciting but reliable data. This may mean you (understandably) focus all your efforts on obtaining that final piece of data that will demonstrate the value of your work. However, this approach may be hindering your progress since it eats into the time you could be spending reading the latest research.

Keep up with the latest scientific breakthroughs to progress your research

Good data alone is not enough. To stay ahead, you need to make sure you’re always up to date with the latest work that contributes to your entire field, not just the findings of your direct competitors. Imagine you are developing a cancer drug. A significant and relevant signaling pathway is discovered to be crucial in Alzheimer’s disease, but due to the cancer-focused nature of your research, you miss this important update. In this scenario, you could miss an important gap where your drug might make a real difference. Looking at the big picture allows you to identify the places in which your research can make an even bigger difference.

Although it may seem like a luxury in industry, reading widely across your field may also save your company money. For example, a new technique might be presented on another model organism that could speed up your work by 20%. If you’re unaware of this advance, then you could be wasting resources that would be better spent on additional projects. What’s more, if you’re slow to deliver, other departments or research groups may be rewarded resources that would otherwise have gone to you. By taking a broader overview of your entire discipline, you will be able to identify such opportunities for time and cost savings and ensure you’re performing your best.

Furthermore, a diverse reading list can alert you to industry changes that may become a scientist’s worst nightmare: being scooped. Most patent (and indeed paper) alert systems work by scanning key words in titles and abstracts. What happens if a competitor scoops your new technique or even your novel drug, but this information is hidden in the main body of text? Without additional measures to capture advances in your field, you might be unaware of progress in your niche.

This could cause problems when your company files their own patents, which are awarded to those who file first. Discovering that you cannot file a patent after years of hard work is bad enough but imagine how much worse it would be if you’d missed being scooped early into your project! It is far better to identify such potential pitfalls during the research process so that you can reframe your research question. Maybe you could modify your in vitro technique for in vivo use, start testing your molecule on other candidate targets, or investigate other receptors in your signaling pathway. By adjusting the course of your project as early as possible, you minimize the resources your company wastes and generate new insights that benefit the scientific community and the wider world.

These inexhaustive examples illustrate why keeping abreast of your industry is important. But many thousands of papers are published each year: ACS alone publishes over 40,000 of them! Keeping on top of new developments in your field is challenging and potentially time-consuming if not done efficiently.

Cheat the system: Let other scientists select your free reading list

Full disclosure: it’s probably not necessary that you read every paper that comes out in your field, only the most important ones. However, determining which papers are worth your precious and limited time can itself be a time sink. So why not crowdsource the problem?

What your whole field cares about is probably worth knowing. ACS tracks its top-performing research articles, eBooks, and book chapters for a variety of disciplines, so we know what’s getting scientists excited. Because we know that your time is far better spent creating your own breakthroughs, we share free access to five of the most popular and exciting articles within your field each month via our Industry Insider. Focusing on the aerospace, electronics, biotechnology, materials science, energy, environment, and agriculture industries, the monthly newsletter also provides early access to other valuable content such as case studies, non-journal content, special invitations, and more.

ACS has a world-leading peer review system for journals that results in work with high impact factors and high citation rates. With 2.5 million citations for 32,000 articles, the ratio between the number of citations and the number of published papers far exceeds any other publisher. If you’re crowdsourcing the most popular work from a pool with very high standards, then you know that what you’re reading is pushing the boundaries of your discipline!

Take advantage of the Industry Insider to advance your research and career

It can be hard to justify the time to read papers, let alone those outside your niche, but it’s one of the most important—and undervalued—activities a researcher can do. Top scientists gain their competitive edges by reading widely across their fields and identifying opportunities or resource drains during the project itself. Seeing the bigger picture also enables them to better frame their research, which helps justify more funding. We know keeping this competitive edge is hard work, so we’ve helped you cut through the process with our free Industry Insider.

Our subject area experts choose new, high-demand papers that apply to your chosen industry and may be interesting to the wider scientific public. For example, researchers recently made a blue rose, something that was previously recognized as impossible, and Industry Insider featured the article detailing how it was made.

The articles featured in this service may be accessed in full text with one click, regardless of whether or not you have subscription access at your organization.  This can give a researcher at a non-subscribing institution up to 300 article views each year. Plus, there’s no need to have VPN, log in, or use organizational access; with Industry Insider, you can read the full text in one click, right from your phone. It is fast, easy, and free to readers using the ACS Free to Read License. For individuals who need broader access to ACS content at their organization, contact us, and we’ll be glad to assist you.

Sign up today and let your discipline source the 5 best studies from recent research.

Get the Latest Research on the Tau Hypothesis in Alzheimer’s Disease

Since 1983, November has been recognized in the U.S. as Alzheimer’s Awareness Month. Today the U.S. is home to more than 5 million people are living with Alzheimer’s Disease. Although significant research efforts and resources have been devoted to both treating and slowing the progression of the disease, a clinically effective drug target for Alzheimer’s Disease has yet to emerge. Increasingly, tau pathology is piquing interest as a robust biomarker for Alzheimer’s Disease. The Tau Hypothesis may represent a new therapeutic avenue for Alzheimer’s Disease drug development.

The Biological & Medicinal Chemistry portfolio of journals within the ACS Publications (specifically ACS Chemical Neuroscience, Journal of Medicinal Chemistry, ACS Medicinal Chemistry Letters, ACS Combinatorial Science, and Biochemistry) published a collection of articles, reviews, and viewpoints on the neuroscience, pharmacology, and imaging of tau in the brain.

“This is the challenge of our generation. New technologies, creative strategies, and novel targets for both the tau hypothesis and others are essential,” write ACS Chemical Neuroscience Editor-in-Chief Professor Craig W. Lindsley and Associate Editor Professor Jacob M. Hooker in an editorial for the Tau Hypothesis in Alzheimer’s Disease issue.

As November comes to a close, join these journals in recognizing the importance of this research when applied to treatments for Alzheimer’s Disease.

Read the Virtual Issue on Tau Hypothesis in Alzheimer’s Disease.

Discover the Most-Read Multidisciplinary Chemistry Articles of October 2018

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.

Get free monthly updates on the most-read research in your field.

Read more of October’s most-read articles: Analytical | Applied | Biological | Materials Science & Engineering | Multidisciplinary | Organic/Inorganic | Physical
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Accounts of Chemical Research

Modulating Hypoxia via Nanomaterials Chemistry for Efficient Treatment of Solid Tumors
Acc. Chem. Res., 2018, 51 (10), pp 2502–2511
DOI: 10.1021/acs.accounts.8b00214

Modular Design of Porous Soft Materials via Self-Organization of Metal–Organic Cages
Acc. Chem. Res., 2018, 51 (10), pp 2437–2446
DOI: 10.1021/acs.accounts.8b00361

Functional Capsules via Subcomponent Self-Assembly
This article is part of the “Supramolecular Chemistry in Confined Space and Organized Assemblies” special issue.
Acc. Chem. Res., 2018, 51 (10), pp 2423–2436
DOI: 10.1021/acs.accounts.8b00303

A Continuum of Proton-Coupled Electron Transfer Reactivity
This article is part of the “Hydrogen Atom Transfer” special issue.
Acc. Chem. Res., 2018, 51 (10), pp 2391–2399
DOI: 10.1021/acs.accounts.8b00319

Porous Shape-Persistent Organic Cage Compounds of Different Size, Geometry, and Function
This article is part of the “Supramolecular Chemistry in Confined Space and Organized Assemblies” special issue.
Acc. Chem. Res., 2018, 51 (10), pp 2411–2422
DOI: 10.1021/acs.accounts.8b00298

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ACS Central Science

Is the Nobel Prize in Chemistry Having a Boston Red Sox Moment?
Open access through ACS AuthorChoice.
ACS Cent. Sci., 2018, 4 (10), pp 1291–1291
DOI: 10.1021/acscentsci.8b00740

Fluorescence Correlation Spectroscopy Reveals Efficient Cytosolic Delivery of Protein Cargo by Cell-Permeant Miniature Proteins
Open access through ACS AuthorChoice.
ACS Cent. Sci., 2018, 4 (10), pp 1379–1393
DOI: 10.1021/acscentsci.8b00446

Green Tea Catechin Dramatically Promotes RNAi Mediated by Low-Molecular-Weight Polymers
Open access through ACS AuthorChoice.
ACS Cent. Sci., 2018, 4 (10), pp 1326–1333
DOI: 10.1021/acscentsci.8b00363

Imaging Mass Spectrometry Reveals Crosstalk between the Fallopian Tube and the Ovary that Drives Primary Metastasis of Ovarian Cancer
Open access through ACS AuthorChoice.
ACS Cent. Sci., 2018, 4 (10), pp 1360–1370
DOI: 10.1021/acscentsci.8b00405

In Vivo Two-Photon Voltage Imaging with Sulfonated Rhodamine Dyes
Open access through ACS AuthorChoice.
ACS Cent. Sci., 2018, 4 (10), pp 1371–1378
DOI: 10.1021/acscentsci.8b00422

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ACS Nano

Best Practices for Reporting Electrocatalytic Performance of Nanomaterials
ACS Nano, 2018, 12 (10), pp 9635–9638
DOI: 10.1021/acsnano.8b07700

Highly Compressible Wood Sponges with a Spring-like Lamellar Structure as Effective and Reusable Oil Absorbents
ACS Nano, 2018, 12 (10), pp 10365–10373
DOI: 10.1021/acsnano.8b05763

Large-Area Preparation of Robust and Transparent Superomniphobic Polymer Films
ACS Nano, 2018, 12 (10), pp 10338–10346
DOI: 10.1021/acsnano.8b05600

Erythrocyte Membrane Cloaked Metal–Organic Framework Nanoparticle as Biomimetic Nanoreactor for Starvation-Activated Colon Cancer Therapy
ACS Nano, 2018, 12 (10), pp 10201–10211
DOI: 10.1021/acsnano.8b05200

Challenges and Opportunities for Intravital Near-Infrared Fluorescence Imaging Technology in the Second Transparency Window
ACS Nano, 2018, 12 (10), pp 9654–9659
DOI: 10.1021/acsnano.8b07536

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ACS Omega

Artificial Intelligence: The Future for Organic Chemistry?
Open access through ACS AuthorChoice.
ACS Omega, 2018, 3 (10), pp 13263–13266
DOI: 10.1021/acsomega.8b01773

Titanium Carbide (MXene) as a Current Collector for Lithium-Ion Batteries
Open access through ACS AuthorChoice.
ACS Omega, 2018, 3 (10), pp 12489–12494
DOI: 10.1021/acsomega.8b02032

Anthracene-Based Highly Selective and Sensitive Fluorescent “Turn-on” Chemodosimeter for Hg2+
Open access through ACS AuthorChoice.
ACS Omega, 2018, 3 (10), pp 12341–12348
DOI: 10.1021/acsomega.8b01142

Transoid-to-Cisoid Conformation Changes of Single Molecules on Surfaces Triggered by Metal Coordination
Open access through ACS AuthorChoice.
ACS Omega, 2018, 3 (10), pp 12851–12856
DOI: 10.1021/acsomega.8b01792

Aggregation-Induced Emission and White Luminescence from a Combination of π-Conjugated Donor–Acceptor Organic Luminogens
Open access through ACS AuthorChoice.
ACS Omega, 2018, 3 (10), pp 13757–13771
DOI: 10.1021/acsomega.8b01706

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Chemical Reviews

Electronic Properties of N-Heterocyclic Carbenes and Their Experimental Determination
Chem. Rev., 2018, 118 (19), pp 9457–9492
DOI: 10.1021/acs.chemrev.8b00067

Introduction: Carbene Chemistry
Chem. Rev., 2018, 118 (19), pp 9455–9456
DOI: 10.1021/acs.chemrev.8b00495

Phosphine Organocatalysis
Chem. Rev., 2018, 118 (20), pp 10049–10293
DOI: 10.1021/acs.chemrev.8b00081

NHCs in Main Group Chemistry
This article is part of the “Carbene Chemistry” special issue.
Chem. Rev., 2018, 118 (19), pp 9678–9842
DOI: 10.1021/acs.chemrev.8b00079

Advanced Smart Nanomaterials with Integrated Logic-Gating and Biocomputing: Dawn of Theranostic Nanorobots
Open access through ACS AuthorChoice.
Chem. Rev., 2018, 118 (20), pp 10294–10348
DOI: 10.1021/acs.chemrev.8b00198

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Journal of the American Chemical Society

Intermolecular Radical Mediated Anti-Markovnikov Alkene Hydroamination Using N-Hydroxyphthalimide
Open access through ACS Editors’ Choice.
J. Am. Chem. Soc., 2018, 140 (39), pp 12318–12322
DOI: 10.1021/jacs.8b06881

Oxidative R1–H/R2–H Cross-Coupling with Hydrogen Evolution
J. Am. Chem. Soc., 2018, 140 (41), pp 13128–13135
DOI: 10.1021/jacs.8b07327

Single Cobalt Atoms Anchored on Porous N-Doped Graphene with Dual Reaction Sites for Efficient Fenton-like Catalysis
J. Am. Chem. Soc., 2018, 140 (39), pp 12469–12475
DOI: 10.1021/jacs.8b05992

Catalytic Cyclooligomerization of Enones with Three Methylene Equivalents
Open access through ACS Editors’ Choice.
J. Am. Chem. Soc., 2018, 140 (40), pp 12710–12714
DOI: 10.1021/jacs.8b08296

Scalable and Highly Diastereo- and Enantioselective Catalytic Diels–Alder Reaction of α,β-Unsaturated Methyl Esters
J. Am. Chem. Soc., 2018, 140 (40), pp 12671–12676
DOI: 10.1021/jacs.8b07092

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Journal of Chemical Education

How Batteries Store and Release Energy: Explaining Basic Electrochemistry
Open access through ACS AuthorChoice.
J. Chem. Educ., 2018, 95 (10), pp 1801–1810
DOI: 10.1021/acs.jchemed.8b00479

Journal of Chemical Education Call for Papers—Special Issue on Reimagining Chemistry Education: Systems Thinking, and Green and Sustainable Chemistry
J. Chem. Educ., 2018, 95 (10), pp 1689–1691
DOI: 10.1021/acs.jchemed.8b00764

Playing with Fire: Chemical Safety Expertise Required
Open access through ACS Editors’ Choice.
J. Chem. Educ., 2018, 95 (10), pp 1736–1746
DOI: 10.1021/acs.jchemed.8b00152

Illustrating the Human Side of Teaching and Learning
J. Chem. Educ., 2018, 95 (10), pp 1685–1686
DOI: 10.1021/acs.jchemed.8b00655

Announcing the Ninth Editor-in-Chief of the Journal of Chemical Education
J. Chem. Educ., 2018, 95 (10), pp 1687–1688
DOI: 10.1021/acs.jchemed.8b00706

Discover the Most-Read Biological Chemistry Articles of October 2018

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.

Get free monthly updates on the most-read research in your field.

Read more of October’s most-read articles: Analytical | Applied | Biological | Materials Science & Engineering | Multidisciplinary | Organic/Inorganic | Physical
***

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.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.8b00437

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DOI: 10.1021/acscatal.8b02928

Oxygen Evolution Reaction—The Enigma in Water Electrolysis
ACS Catal., 2018, 8 (10), pp 9765–9774
DOI: 10.1021/acscatal.8b02595

Effect of Saturating the Electrolyte with Oxygen on the Activity for the Oxygen Evolution Reaction
Open access through ACS AuthorChoice.
ACS Catal., 2018, 8 (10), pp 9359–9363
DOI: 10.1021/acscatal.8b03014

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DOI: 10.1021/acschembio.8b00524

Adversarial Controls for Scientific Machine Learning
ACS Chem. Biol., 2018, 13 (10), pp 2819–2821
DOI: 10.1021/acschembio.8b00665

Modulating PCAF/GCN5 Immune Cell Function through a PROTAC Approach
ACS Chem. Biol., 2018, 13 (10), pp 2862–2867
DOI: 10.1021/acschembio.8b00567

***

DOI: 10.1021/acschemneuro.8b00528

Psychedelics and Personality
ACS Chem. Neurosci., 2018, 9 (10), pp 2304–2306
DOI: 10.1021/acschemneuro.8b00137

Dark Classics in Chemical Neuroscience: Lysergic Acid Diethylamide (LSD)
This article is part of the “DARK Classics in Chemical Neuroscience” special issue.
ACS Chem. Neurosci., 2018, 9 (10), pp 2331–2343
DOI: 10.1021/acschemneuro.7b00528

***

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.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.8b00149

***

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.8b00438

CCR4 Antagonists Inhibit Treg Trafficking into the Tumor Microenvironment
ACS Med. Chem. Lett., 2018, 9 (10), pp 953–955
DOI: 10.1021/acsmedchemlett.8b00416

***

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.8b00242

Establishing a Cell-Free Vibrio natriegens Expression System
ACS Synth. Biol., 2018, 7 (10), pp 2475–2479
DOI: 10.1021/acssynbio.8b00223

***

DOI: 10.1021/acs.biochem.8b00985

Entry from the Lipid Bilayer: A Possible Pathway for Inhibition of a Peptide G Protein-Coupled Receptor by a Lipophilic Small Molecule
Biochemistry, 2018, 57 (39), pp 5748–5758
DOI: 10.1021/acs.biochem.8b00916

Improved Chemical-Genetic Fluorescent Markers for Live Cell Microscopy
Biochemistry, 2018, 57 (39), pp 5648–5653
DOI: 10.1021/acs.biochem.8b00955

***

DOI: 10.1021/acs.bioconjchem.8b00511

Selective Uptake Into Drug Resistant Mammalian Cancer by Cell Penetrating Peptide-Mediated Delivery
Bioconjugate Chem., 2018, 29 (10), pp 3273–3284
DOI: 10.1021/acs.bioconjchem.8b00657

Peptide-Directed Photo-Cross-Linking for Site-Specific Conjugation of IgG
Bioconjugate Chem., 2018, 29 (10), pp 3240–3244
DOI: 10.1021/acs.bioconjchem.8b00592

***

DOI: 10.1021/acs.biomac.8b01093

Robust Polyion Complex Vesicles (PICsomes) under Physiological Conditions Reinforced by Multiple Hydrogen Bond Formation Derived by Guanidinium Groups
Biomacromolecules, 2018, 19 (10), pp 4113–4121
DOI: 10.1021/acs.biomac.8b00556

New Generation of Clickable Nucleic Acids: Synthesis and Active Hybridization with DNA
Biomacromolecules, 2018, 19 (10), pp 4139–4146
DOI: 10.1021/acs.biomac.8b00837

***

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.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.8b04080

***

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.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.8b00531

***

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.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.8b00498

***

DOI: 10.1021/acs.jnatprod.8b00079

Auranthine, a Benzodiazepinone from Penicillium aurantiogriseum: Refined Structure, Absolute Configuration, and Cytotoxicity
J. Nat. Prod., 2018, 81 (10), pp 2177–2186
DOI: 10.1021/acs.jnatprod.7b00845

Structures and Antimutagenic Effects of Onoceranoid-Type Triterpenoids from the Leaves of Lansium domesticum
J. Nat. Prod., 2018, 81 (10), pp 2187–2194
DOI: 10.1021/acs.jnatprod.8b00519

***

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.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.8b08094

***

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.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.8b02298

***

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.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.8b00269

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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.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.8b00284

Discover the Most-Read Organic/Inorganic Chemistry Articles of October 2018

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.

Get free monthly updates on the most-read research in your field.

Read more of October’s most-read articles: Analytical | Applied | Biological | Materials Science & Engineering | Multidisciplinary | Organic/Inorganic | Physical
***

DOI: 10.1021/acscatal.8b02928

Oxygen Evolution Reaction—The Enigma in Water Electrolysis
ACS Catal., 2018, 8 (10), pp 9765–9774
DOI: 10.1021/acscatal.8b02595

Effect of Saturating the Electrolyte with Oxygen on the Activity for the Oxygen Evolution Reaction
Open access through ACS AuthorChoice.
ACS Catal., 2018, 8 (10), pp 9359–9363
DOI: 10.1021/acscatal.8b03014

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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/cov020i010_1224796

Overcoming Site Heterogeneity In Search of Metal Nanocatalysts
ACS Comb. Sci., 2018, 20 (10), pp 567–572
DOI: 10.1021/acscombsci.8b00084

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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.8b00438

CCR4 Antagonists Inhibit Treg Trafficking into the Tumor Microenvironment
ACS Med. Chem. Lett., 2018, 9 (10), pp 953–955
DOI: 10.1021/acsmedchemlett.8b00416

***

DOI: 10.1021/acs.bioconjchem.8b00511

Selective Uptake Into Drug Resistant Mammalian Cancer by Cell Penetrating Peptide-Mediated Delivery
Bioconjugate Chem., 2018, 29 (10), pp 3273–3284
DOI: 10.1021/acs.bioconjchem.8b00657

Peptide-Directed Photo-Cross-Linking for Site-Specific Conjugation of IgG
Bioconjugate Chem., 2018, 29 (10), pp 3240–3244
DOI: 10.1021/acs.bioconjchem.8b00592

***

DOI: 10.1021/acs.inorgchem.8b01130

Bioinorganic Chemistry of the Natural [Fe(NO)2] Motif: Evolution of a Functional Model for NO-Related Biomedical Application and Revolutionary Development of a Translational Model
Inorg. Chem., 2018, 57 (20), pp 12425–12443
DOI: 10.1021/acs.inorgchem.8b02017

High Volumetric Hydrogen Adsorption in a Porous Anthracene-Decorated Metal–Organic Framework
Open access through ACS AuthorAccess.
Inorg. Chem., 2018, 57 (19), pp 12050–12055
DOI: 10.1021/acs.inorgchem.8b00974

***

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.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.8b00498

***

DOI: 10.1021/acs.jnatprod.8b00079

Auranthine, a Benzodiazepinone from Penicillium aurantiogriseum: Refined Structure, Absolute Configuration, and Cytotoxicity
J. Nat. Prod., 2018, 81 (10), pp 2177–2186
DOI: 10.1021/acs.jnatprod.7b00845

Structures and Antimutagenic Effects of Onoceranoid-Type Triterpenoids from the Leaves of Lansium domesticum
J. Nat. Prod., 2018, 81 (10), pp 2187–2194
DOI: 10.1021/acs.jnatprod.8b00519

***

DOI: 10.1021/acs.joc.8b02068

Asymmetric Rhodium-Catalyzed Allylic Substitution Reactions: Discovery, Development and Applications to Target-Directed Synthesis
J. Org. Chem., 2018, 83 (19), pp 11463–11479
DOI: 10.1021/acs.joc.8b02003

Synthesis of α-Arylated Cycloalkanones from Congested Trisubstituted Spiro-epoxides: Application of the House–Meinwald Rearrangement for Ring Expansion
J. Org. Chem., 2018, 83 (20), pp 12357–12373
DOI: 10.1021/acs.joc.8b02074

***

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.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.8b00284

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DOI: 10.1021/acs.orglett.8b02422

Minisci-Photoredox-Mediated α-Heteroarylation of N-Protected Secondary Amines: Remarkable Selectivity of Azetidines
Org. Lett., 2018, 20 (19), pp 6003–6006
DOI: 10.1021/acs.orglett.8b02127

Toward the Total Synthesis of Ryanodol via Oxidative Alkyne–1,3-Diketone Annulation: Construction of a Ryanoid Tetracycle
Open access through ACS Editors’ Choice.
Org. Lett., 2018, 20 (20), pp 6457–6461
DOI: 10.1021/acs.orglett.8b02080

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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.8b00237

Development of a Synthesis of Kinase Inhibitor AKN028
Org. Process Res. Dev., 2018, 22 (10), pp 1360–1364
DOI: 10.1021/acs.oprd.8b00223

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DOI: 10.1021/acs.organomet.8b00456

Let’s Talk About Safety: Open Communication for Safer Laboratories
Organometallics, 2018, 37 (19), pp 3225–3227
DOI: 10.1021/acs.organomet.8b00400

Ernesto Carmona: Organometallic Chemistry Pioneer in Southern Europe—A Biographical Outline
Organometallics, 2018, 37 (20), pp 3379–3384
DOI: 10.1021/acs.organomet.8b00617

Discover the Most-Read Physical Chemistry Articles of October 2018

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.

Get free monthly updates on the most-read research in your field.

RRead more of October’s most-read articles: Analytical | Applied | Biological | Materials Science & Engineering | Multidisciplinary | Organic/Inorganic | Physical
***

DOI: 10.1021/acsearthspacechem.8b00044

Solid State Photochemistry of Hydroxylated Naphthalenes on Minerals: Probing Polycyclic Aromatic Hydrocarbon Transformation Pathways under Astrochemically-Relevant Conditions
ACS Earth Space Chem., 2018, 2 (10), pp 977–1000
DOI: 10.1021/acsearthspacechem.8b00084

Retention of U(VI) by the Formation of Fe Precipitates from Oxidation of Fe(II)
ACS Earth Space Chem., 2018, 2 (10), pp 968–976
DOI: 10.1021/acsearthspacechem.8b00098

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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.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.8b01466

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DOI: 10.1021/acsphotonics.8b00745

Strong Plasmon–Exciton Coupling with Directional Absorption Features in Optically Thin Hybrid Nanohole Metasurfaces
Open access through ACS AuthorChoice.
ACS Photonics, 2018, 5 (10), pp 4046–4055
DOI: 10.1021/acsphotonics.8b00809

Photopolymerization with Light Fields Possessing Orbital Angular Momentum: Generation of Helical Microfibers
Open access through ACS AuthorChoice.
ACS Photonics, 2018, 5 (10), pp 4156–4163
DOI: 10.1021/acsphotonics.8b01031

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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.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.8b01001

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DOI: 10.1021/acs.iecr.8b04015

Chemical Game Theory
Ind. Eng. Chem. Res., 2018, 57 (41), pp 13593–13607
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.8b03085

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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.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.8b00292

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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.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.8b00417

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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.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.8b00531

***

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.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.8b06914

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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.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.8b08094

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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.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.8b07865

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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.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.8b02298