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Essential Topics in Physical Chemistry for the First Half of 2018

Discover some of the most important papers published in The Journal of Physical Chemistry and The Journal of Physical Chemistry Letters during the first half of 2018.

ACS Editors’ Choice Articles from The Journal of Physical Chemistry

Each day, ACS Publications makes one peer-reviewed research article open access. These articles are specially chosen by a team of ACS journals’ scientific editors from around the world. Each of these selections is free to read and sure to inspire discussion.

The Journal of Physical Chemistry A

Effect of Mixing Ammonia and Alkylamines on Sulfate Aerosol Formation
J. Phys. Chem. A, 2018, 122 (6), pp 1612–1622
DOI: 10.1021/acs.jpca.7b11236
***
Melting of the Au20 Gold Cluster: Does Charge Matter?
J. Phys. Chem. A, 2018, 122 (16), pp 4092–4098
DOI: 10.1021/acs.jpca.7b12522
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Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes
J. Phys. Chem. A, 2018, 122 (17), pp 4219-4245
DOI: 10.1021/acs.jpca.7b08966
***

The Journal of Physical Chemistry B

Live Cell Microscopy: A Physical Chemistry Approach
J. Phys. Chem. B, 2018, 122 (12), pp 3023–3036
DOI: 10.1021/acs.jpcb.7b11689
***
Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity
J. Phys. Chem. B, 2018, 122 (14), pp 3667–3679
DOI: 10.1021/acs.jpcb.7b10574?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner
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Is Water at the Graphite Interface Vapor-like or Ice-like?
J. Phys. Chem. B, 2018, 122 (13), pp 3626–3634
DOI: 10.1021/acs.jpca.7b11476?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner
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Exploring GPCR–Lipid Interactions by Molecular Dynamics Simulations: Excitements, Challenges, and the Way Forward
J. Phys. Chem. B, 2018, 122 (22), pp 5727–5737
DOI: 10.1021/acs.jpcb.8b01657
***
Binding of Divalent Cations to Insulin: Capillary Electrophoresis and Molecular Simulations
J. Phys. Chem. B, 2018, 122 (21), pp 5640–5648
DOI: 10.1021/acs.jpcb.7b12097
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Dynamics of Long-Distance Hydrogen-Bond Networks in Photosystem II
J. Phys. Chem. B, 2018, 122 (17), pp 4625-4641
DOI: 10.1021/acs.jpcb.8b00649
***

The Journal of Physical Chemistry C

Visualizing the Effect of Partial Oxide Formation on Single Silver Nanoparticle Electrodissolution
J. Phys. Chem. C, 2018, 122 (5), pp 3138–3145
DOI: 10.1021/acs.jpcb.7b11824
***
Anomalous Charging Behavior of Inorganic Materials
J. Phys. Chem. C, 2018, 122 (21), pp 11414-11421
DOI: 10.1021/acs.jpcc.8b02478
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The Evolution of Intermolecular Energy Bands of Occupied and Unoccupied Molecular States in Organic Thin Films
J. Phys. Chem. C, 2018, 122 (22), pp 12090-12097
DOI: 10.1021/acs.jpcc.8b02581
***
Spin Uncoupling in Chemisorbed OCCO and CO2: Two High-Energy Intermediates in Catalytic CO2 Reduction
J. Phys. Chem. C, 2018, 122 (23), pp 12251-12258
DOI: 10.1021/acs.jpcc.8b02165
***
Charge Generation via Relaxed Charge-Transfer States in Organic Photovoltaics by an Energy-Disorder-Driven Entropy Gain
J. Phys. Chem. C, 2018, 122 (24), pp 12640-12646
DOI: 10.1021/acs.jpcc.8b03432
***
Switching of Radiation Force on Optically Trapped Microparticles through Photochromic Reactions of Pyranoquinazoline Derivatives
J. Phys. Chem. C, 2018, Article ASAP
DOI: 10.1021/acs.jpcc.8b03420
***

The Journal of Physical Chemistry Letters

Zero-Dimensional Cesium Lead Halides: History, Properties, and Challenges
J. Phys. Chem. Lett., 2018, 9 (9), pp 2326–2337
10.1021/acs.jpclett.8b00572
***
Non-Plasmonic SERS with Silicon: Is It Really Safe? New Insights into the Optothermal Properties of Core/Shell Microbeads
J. Phys. Chem. Lett., 2018, 9 (9), pp 2127–2132
10.1021/acs.jpclett.8b00662
***
Polariton-Assisted Singlet Fission in Acene Aggregates
J. Phys. Chem. Lett., 2018, (8), pp 1951–1957
10.1021/acs.jpclett.8b00008
***
Interfacial Modification for High-Efficiency Vapor-Phase-Deposited Perovskite Solar Cells Based on a Metal Oxide Buffer Layer
J. Phys. Chem. Lett., 2018, 9 (5), pp 1041–1046
10.1021/acs.jpclett.7b03361?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner
***
Disentangling Strong-Field Multielectron Dynamics with Angular Streaking
J. Phys. Chem. Lett., 2018, 9 (10), pp 2539-2545
10.1021/acs.jpclett.8b00028?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner
***

Virtual Issues from The Journal of Physical Chemistry

Virtual Issues and Virtual Collections are compilations of papers on topics of current scientific interest and are designed for experienced investigators and educators alike.

(VI) New Physical Insights
(VSI) Recent Advances in Connecting Structure, Dynamics, and Function of Biomolecules by NMR
(VI) New Tools and Methods in Experiment and Theory
(VI) Machine Learning
(VI) Coherence in Chemistry and Biophysics
(VI) Hybrid Perovskites for Multijunction Tandem Solar Cells and Solar Fuels
(VI) Plasmons for Energy Conversion
(VSI) Time Resolved Vibrational Spectroscopy

Festschrifts from The Journal of Physical Chemistry

These special tribute issues pay homage to some of the brightest minds in physical chemistry. Each of these issues contains a look at their subject’s career, as well as a scientific autobiography, a list of their colleagues, a review article, and recent articles related to their work.

The Journal of Physical Chemistry A

(VSI) W. Lester S. Andrews Festschrift
(VSI) Veronica Vaida Festschrift
(SI) Miquel B. Salmeron Festschrift

The Journal of Physical Chemistry B

(SI) Benjamin Widom Festschrift
(SI) Ken A Dill Festschrift

Spotlights from The Journal of Physical Chemistry Letters

In each issue, The Journal of Physical Chemistry Letters will point out a few papers with particularly strong abstracts that are likely to have broad appeal beyond the specialist community. Take a look at some of the papers recently selected for the Spotlight honor.span

Surprising Stability of Cubane under Extreme Pressure
J. Phys. Chem. Lett., 2018, 9 (8), pp 2031–2037
10.1021/acs.jpclett.8b00395

Phycocyanin: One Complex, Two States, Two Functions
J. Phys. Chem. Lett., 2018, 9 (6), pp 1365–1371
10.1021/acs.jpclett.8b00621

Why Does CuFeS2 Resemble Gold?
J. Phys. Chem. Lett., 2018, 9 (4), pp 696–701
10.1021/acs.jpclett.7b03190?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner

Central Role of Bicarbonate Anions in Charging Water/Hydrophobic Interfaces
J. Phys. Chem. Lett., 2018, 9 (1), pp 96–103
10.1021/acs.jpclett.7b02993?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner

Review and Feature Articles from The Journal of Physical Chemistry

Reviews and Features can provide much-needed context for the discussions happening around essential topics in physical chemistry. Enjoy deep dives on the following topics.

The Journal of Physical Chemistry A

Infrared Dynamics of Iron Carbonyl Diene Complexes
J. Phys. Chem. A, 2018, 122 (14), pp 3497–3505
10.1021/acs.jpca.7b12309

Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes
J. Phys. Chem. A, 2018, 122 (17), pp 4219-4245
10.1021/acs.jpca.7b08966

Role of Vibrational Dynamics on Excited-State Electronic Coherence in a Binuclear Platinum Complex
J. Phys. Chem. A, 2018, 122 (23), pp 3497–3505
10.1021/acs.jpca.8b01352

The Journal of Physical Chemistry B

Live Cell Microscopy: A Physical Chemistry Approach
J. Phys. Chem. B, 2018, 122 (12), pp 3023–3036
10.1021/acs.jpcb.7b11689?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner

Exploring GPCR–Lipid Interactions by Molecular Dynamics Simulations: Excitements, Challenges, and the Way Forward
J. Phys. Chem. B, 2018, 122 (22), pp 5727–5737
10.1021/acs.jpcb.8b01657?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner

Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity
J. Phys. Chem. B, 2018, 122 (14), pp 3667–3679
10.1021/acs.jpcb.7b10574?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner

Physical Properties of Biomolecules at the Nanomaterial Interface
J. Phys. Chem. B, 2018, 122 (11), pp 2827–2840
10.1021/acs.jpcb.8b00168?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner

Surface Structures of Model Metal Catalysts in Reactant Gases
J. Phys. Chem. B, 2018, 122 (2), pp 425–431
10.1021/acs.jpcb.7b06950?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner

Nanoparticle–Cell Interactions: Relevance for Public Health
J. Phys. Chem. B, 2018, 122 (3), pp 1009–1016
10.1021/acs.jpcb.7b08650?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner

The Journal of Physical Chemistry C

Figures of Merit Guiding Research on Organic Solar Cells
J. Phys. Chem. C, 2018, 122 (11), pp 5829–5843
10.1021/acs.jpcc.8b01598

Carrier Dynamics, Optical Gain, and Lasing with Colloidal Quantum Wells
J. Phys. Chem. C, 2018, 122 (20), pp 10659–10674
10.1021/acs.jpcc.7b12629?ref=12173&utm_source=Axial&utm_campaign=Phys&utm_medium=Partner

Viewpoint Articles from The Journal of Physical Chemistry A

Keiji Morokuma
J. Phys. Chem. A, 2018, 122 (4), pp 880–881
10.1021/acs.jpca.8b00070

Session Viewpoints on the 2017 Dynamics of Molecular Collisions Conference
J. Phys. Chem. A, 2018, 122 (4), pp 882–889
10.1021/acs.jpca.8b00072

ACS Editors’ Choice: Naica’s Giant Crystals — and More!

This week: Naica’s giant crystals, collagen structure–function relationships, paper-based enzyme competition assay — 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!
***
TiO2 Nanoparticle-Induced Nanowire Formation Facilitates Extracellular Electron Transfer

Environ. Sci. Technol. Lett., Article ASAP
DOI: 10.1021/acs.estlett.8b00275

***
Deciphering Protein O-Glycosylation: Solid-Phase Chemoenzymatic Cleavage and Enrichment

Anal. Chem., Article ASAP
DOI: 10.1021/acs.analchem.8b01834

***
Nonhalogenated Solvent Processable and Printable High-Performance Polymer Semiconductor Enabled by Isomeric Nonconjugated Flexible Linkers

Macromolecules, Article ASAP
DOI: 10.1021/acs.macromol.8b00971

***
Paper-Based Enzyme Competition Assay for Detecting Falsified β-Lactam Antibiotics

ACS Sens., Article ASAP
DOI: 10.1021/acssensors.8b00163

***
Thermodynamics and the Intrinsic Stability of Lead Halide Perovskites CH3NH3PbX3

J. Phys. Chem. Lett., 2018, 9, pp 3756–3765
DOI: 10.1021/acs.jpclett.8b00463

***
Naica’s Giant Crystals: Deterioration Scenarios

Cryst. Growth Des., Article ASAP
DOI: 10.1021/acs.cgd.8b00583
***
TCFH–NMI: Direct Access to N-Acyl Imidazoliums for Challenging Amide Bond Formations

Org. Lett., Article ASAP
DOI: 10.1021/acs.orglett.8b01591
***
Love ACS Editors’ Choice? Get a weekly e-mail of the latest ACS Editor’s Choice articles and never miss a breakthrough!

Get to Know ACS Pharmacology & Translational Science at WCP2018

ACS Pharmacology & Translational Science is excited to join the global community of multidisciplinary scientists meeting at the 18th World Congress of Basic and Clinical Pharmacology (WCP2018) in Kyoto, Japan, July 1-6.

ACS Pharmacology & Translational Science is a new journal from ACS Publications, the Publications Division of the American Chemical Society, which publishes more than 55 peer-reviewed scholarly journals full of high-quality research from around the world. It publishes high-quality, innovative research across the broad spectrum of biological sciences.

Editor-in-Chief Patrick M. Sexton and the journal’s editorial board invite you to submit your research in these areas for publication in Volume 1.

Join Us at WCP2018 BOOTH 8-2

ACS Publications staff will be at BOOTH 8-2 in the WCP2018 exhibition hall throughout the four days the exhibition will be open–July 2-5–to provide additional information about publishing in, accessing, and reviewing for ACS Pharmacology & Translational Science.

Please stop by BOOTH 8-2 to learn more about the journal and pick up some fun giveaways.

Meet Editor-in-Chief Patrick M. Sexton

ACS Pharmacology & Translational Science Editor-in-Chief Patrick M. Sexton, Ph.D., Theme Leader, Drug Discovery Biology, as well as Professor of Pharmacology and National Health and Medical Research Council (NHMRC) Principal Research Fellow at the Monash Institute of Pharmaceutical Sciences, Monash University, is also attending WCP2018 and is eager to talk to his fellow attendees about publishing in, reading, and reviewing for the journal.

“We are seeking high-quality, innovative research across the broad spectrum of biological sciences —from basic and molecular sciences to translational preclinical studies,” says Dr. Sexton. “Please come and chat to me about publishing your research in ACS Pharmacology & Translational Science.”

If you’d like to meet Dr. Sexton at WCP2018 and ask him questions about publishing your research in ACS Pharmacology & Translational Science:

  • Stop by BOOTH 8-2 Tuesday, July 2, or Thursday, July 4, between 1 p.m. and 2 p.m. He will be there available to talk to anyone who comes by.
  • Email him at eic@ptsci.acs.org to set up a brief meeting. He will reply and work to find a time that works for you to chat.
  • Look for him around the conference and just walk up and introduce yourself. He will be happy to chat with you.

Learn More About ACS Pharmacology & Translational Science Online

If you’d like to read more about ACS Pharmacology & Translational Science, its first articles, Editor-in-Chief Patrick M. Sexton, how to publish with the journal, and more:

Submit your next pharmacology, biochemistry, and experimental medicine manuscript to ACS Pharmacology & Translational Science.

Helium Ion Microscopy Reveals Mysteries of Spiky Bacterial Filaments

Scientists have long been fascinated by the organic-mineral filaments that extend from the surface of some iron-oxidizing bacteria living in environments from streams to hydrothermal vents. But researchers still don’t know exactly how they are formed.

Now, using helium ion microscopy (HIM), a relatively new method with higher resolution than scanning electron microscopy (SEM), James M. Byrne of the University of Tübingen and his colleagues have captured these stalks forming in clearer detail than ever before. Unlike with SEM, imaging organic substances with HIM doesn’t require coating the material with platinum or gold, which can distort the structures being studied.

The group cultured bacteria isolated from low-oxygen sediments in a Denmark bay. By sampling the iron-containing culture repeatedly over a month and analyzing the samples with HIM, they documented how the structures changed. First, a spiral-shaped stalk formed, and over days it was covered with mineral crystals that eventually coated the spiral so heavily that its shape was no longer discernible. Subsequent elemental analysis showed that the spirals were mostly organic while the mineral deposits were lepidocrocite, an iron oxide-hydroxide mineral.

“It really blew my mind when we started to see these objects forming,” Byrne says. “You can see the individual fibers being produced by the bacteria.”

Some researchers hypothesize that bacteria make these structures to protect themselves by removing more toxic, dissolved iron(II) from their surroundings as insoluble iron(III), and the authors note that more work may solve that mystery, too.

This article is reproduced with permission from C&EN (© American Chemical Society). The article was first published on April 27, 2018.

Celebrating LGBT Scientists in the ACS Community

ACS is a global scientific society, inclusive of all skilled chemistry professionals. It’s this diversity that enables excellence, innovation, and transformative action in the sciences. To celebrate inclusion during LGBTQ Pride Month, we’ve chosen to highlight select authors in the ACS community that submitted bios to 500 Queer Scientists.

500 Queer Scientists is a visibility campaign for LGBTQ+ people working in STEM that helps bolster awareness and recognition of queer scientists in the workplace. The campaign hopes to create role models for the next generation of scientists and foster  community connections in the current generation.

To learn more about the ACS diversity and inclusion initiatives, visit this site. If you are an LGBTQ+ chemist looking to get involved in the community, consider joining the PROF Subdivision for Gay and Transgender Chemists.

Mark Y. H. Chan, Ph.D.

Mark Chan, an assistant professor of biology at San Francisco State University (SFSU), studies how organelle size is sensed and controlled by the cell.

Chan is a graduate student from Stanford University in chemistry, and later completed his postdoctoral fellowship in biochemistry and biophysics. He now runs the Chan Lab at SFSU which examines how cell shape and organelle size affects cell function.

Read Chan’s research

 

Nicolas K. Geitner, Ph.D.

Nicolas Geitner, a postdoctoral research associate at Duke University, focuses on nanomaterial behavior in the environment. The goal, Geitner says, is to obtain a informed design of these materials while still focusing on safety.

Geitner began with a bachelor’s degree in physics from Denison University and continued with a master’s in physics from Miami University. This program introduced him to nanotechnology. He continued studying nanotechnology during his Ph.D. in physics at Clemson University by studying nano-biophysics. Geitner’s Ph.D. work examined how polymer-based nanomaterials could reduce damage from marine oil spill. He now works for the Center for the Environmental Implications of NanoTechnology (CEINT) at Duke University.

Read Geitner’s published work 

 


Claire G. Griffin, Ph.D.

Claire Griffin, a postdoctoral associate at the University of Minnesota, researches carbon and nutrient cycling are impacted by landscapes and climate in aquatic systems.

Griffin earned her Ph.D. at the University of Texas, Austin at the Marine Science Institute. She currently resides in the Department of Ecology, Evolution, and Behaviour at the University of Minnesota, Twin Cities. Griffin is a volunteer with Earth Science Women’s Network and an advocate of inclusion in STEM.

Read Griffin’s research 

 

Ronald E. Hunter Jr., Ph.D.

Ronald Hunter Jr., an analytical chemist at Coca-Cola, is currently developing methods for the analysis of vitamins A, E, C and B in dairy, soy, and non-dairy beverages to support product quality.

Hunter started as a Spanish major on the pre-med track at Mercer University, but realized he excelled in his chemistry classes. He became a double major in Spanish and chemistry, and continued to earn a Ph.D. in analytical chemistry from Emory University. After working at the Environmental Protection Agency, Hunter returned to Emory as a postdoctoral research fellow with the Rollings School of Public Health. From there, Hunter joined the Centers for Disease Control as a research chemist before landing his current position at Coca-Cola.

Hunter remains an activist by participating in the Society for Advancement of Hispanics/Chicanos and Native Americans in Science (SACNAS) and National Organization for the Professional Advancement of Black Chemists and Chemical Engineers (NOBCChE).

Read Hunter’s research

 

Carmen J. Marsit, Ph.D.

Professor Carmen Marsit of the Departments of Environmental Health and Epidemiology at the Rollins School of Public Health at Emory University, researches how the environment during pregnancy impacts children’s health.

Marsit grew up in northeastern Pennsylvania where she was exposed to the aftereffects of the local coal and manufacturing industries. Friends and family, including her grandfather, were exposed to dangerous working conditions during their careers and many ended up sick or dead. This drove Marsit to study the effects of environmental factors on health, assuming she would do experimental toxicology or cancer biology research. After working in Professor Karl Kelsey’s lab at Harvard University, Marsit developed a passion for molecular epidemiology. Her career gradually switched from cancer-related molecular epidemiology to environmental impacts on children’s health during pregnancy and developing studies examining mechanisms, typically epigenetic, that connect environmental exposures to health outcomes.

Read Marsit’s research  

 

Gary S. McDowell, Ph.D.

Gary McDowell is the Executive Director of The Future of Research, Inc. and oversees the organization’s daily operations.

McDowell studied chemistry at the University of Cambridge, moving on to a Ph.D. in oncology from the same institution. He went on to help generate the first Future of Research Symposium in Boston in 2014. Gary is also part of the American Society for Cell Biology (ASCB)’s LGBTQ Working Group.

Read McDowell’s research 

 

Jennifer L. Morse, Ph.D.

Jennifer Morse, an assistant professor at Portland State University, works on understanding how ecosystems respond to environmental change, and applying ecological understanding to environmental restoration and sustainability.

Morse, a biogeochemist and an ecosystem ecologist, works on the movement of nutrients and the production of greenhouse gas in both natural and human-modified ecosystems. She received her Ph.D. in Ecology from Duke University and is an associated faculty member with the Ecosystem Services for Urbanizing Regions (ESUR) IGERT program at Portland State University.

See Morse’s research 

 

John M. Nicoludis, Ph.D.

Jack Nicoludis, a structural biologist and postdoctoral researcher at the University of California, San Francisco, researches how protein structure results in biological function.

Nicoludis’ postdoctoral research looks into antimicrobial peptides and how they recognize phospholipids in cellular membranes. Beyond the lab, he is a graduate student and postdoctoral research unionization advocate to help support minority groups and address diversity in academia.

Read Nicoludis’ research 

 


Erica D. Pratt, Ph.D.

Erica Pratt, a biomedical engineer, is a postdoctoral fellow at the MD Cancer Center at the University of Texas.

Pratt received her Ph.D. in biomedical engineering at Cornell University, where she co-designed the GEDI microfluidic device used for the study of circulating tumor cells. She currently works in the lab designing methods for the early detection of pancreatic cancer. Her long-term goal is to become a tenure-track engineering professor and to lead her own research group in translational engineering oncology.

Read Pratt’s research 

 

Andrew J. Princep, Ph.D.

Andrew Princep currently researches frustrated magnetism and correlated electron phenomena with a concentration in the properties of the element Osmium in oxide material.

Princep earned his Ph.D. in physics at the University of New South Wales. He is currently a junior research fellow at the Science and Technology Facilities Council (STFC), a UK government organization that conducts civil science and engineering research.

Read Princep’s research 

 

Matthew S. Schuler, Ph.D.

Matthew Schuler, a Rensselaer Polytechnic Institute, currently works as a part of the Jefferson Project at Lake George in New York.

Schuler started his career in wildlife management, but moved to thermal physiology. He eventually found his calling studying community ecology. Today, Schuler helps develop novel methods to study threats to lake ecosystems as part of the Jefferson Project. Schuler is also in charge of the lake’s nearshore monitoring program, where he surveys the chemistry, algae, zooplankton, and macroinvertebrate around the lake to investigate how urbanization impacts the lake’s food web. Schuler is also working with IBM to develop models using machine-learning to understand the impact of invasive species on freshwater communities.

Read Schuler’s research 

 

Abraham J. Waldman, Ph.D.

Abraham Waldman will be working this July on his postdoc, where he will research cell wall biosynthesis by examining chemical probe development in Mtb.

Waldman recently completed his Ph.D. in Chemistry with the Balskus Lab at Harvard University where he investigated biosynthesis of a natural product antibiotic. His hope is to develop novel therapeutics to treat infectious disease through discovering new enzymes and metabolic pathways in pathogens.

Read Waldman’s research 

 

Cheryl A. Wilen, Ph.D.

Cheryl Wilen, an Integrated Pest Management Advisor for the University of California Cooperative Extension, currently focuses on evaluating pesticides for safety, and providing advice on their proper use.

In 1994, Wilen received her Ph.D. in botany from the University of California – Riverside with an emphasis on weed physiology and ecology. She went on to become the Area Integrated Pest Management Advisor for Orange, Los Angeles, and San Diego Counties, which focuses on pests and weed management.

Read Wilen’s research 

David Laviska, Ph.D.

David Laviska, an assistant professor at Seton Hall University, currently researches transition metals in catalysis.

Laviska began as an environmental chemist at the Environmental Protection Agency (EPA) for about ten years before returning to get his Ph.D. at Rutgers University. His work with Alan Goldman, who included him in the Center for Enabling New Technologies through Catalysis (CENTC),  a National Science Foundation Center for Chemical Innovation (NSF-CCI), and his doctoral work in stoichiometric and catalytic chemistry with iridium pincer complexes, fueled his passion for his research with transition metals. Today, Laviska works in applying green chemistry principles to catalytic processes and further applying green methodology to his university lab at Seton Hall. His goals at the lab are improved safety, reduced waste output, and guiding students toward environmental stewardship.

Read Laviska’s research 

Serine Octamer Reveals Its Structure

After more than a decade of effort, researchers have identified the likely structure of the protonated serine octamer, an unusual complex first observed by mass spectrometry almost 20 years ago. Researchers used a combination of computer modeling and advanced infrared spectrometry to confirm this molecular arrangement. The newly reported structure is the first that explains all of the experimental observations related to the complex and its distinctive chemistry, the researchers say.

In 2001, researchers noticed that serine—unlike other amino acids—formed a charged, eight-membered cluster during electrospray ionization mass spectrometry. This octamer, and its closely related cousins, captured their attention for several reasons. First, the eight-membered cluster was by far the most abundant form out of all serine cluster sizes, suggesting that its structure was particularly stable. Even when produced from a mixture of L-serine and D-serine, the octamers always segregated themselves to produce single-enantiomer clusters. The structural stability and chiral preference of the serine octamer led researchers to suggest that such structures could have guided molecules in early evolution toward the common chirality observed in biology.

Since the serine octamer was first identified, figuring out its structure has been a playground for theory and experiment, says R. Graham Cooks, a mass spectrometrist at Purdue University who first reported the octamer. The number of possible arrangements of the eight serines in the cluster has always challenged the best computer models, and the few structural clues gathered from mass spectrometry and room temperature infrared spectroscopy were not enough to narrow the search. Of the several structures proposed for the protonated serine octamer, none could explain why the clusters formed from serines with the same chirality.

Jongcheol Seo of the Fritz Haber Institute of the Max Planck Society and his colleagues, including those at Swiss Federal Institute of Technology, Lausanne (EPFL), wanted to use their specialized IR instruments to tackle this problem. By using cryogenic IR messenger-tagging spectroscopy, a low-temperature method recently applied to ions containing biomolecules, and IR multiple photon dissociation spectroscopy, particularly to target mid-IR spectra, they thought they might see enough details about the clusters’ bonds to finally crack the structure. The cryogenic method allowed the team to obtain sharp IR spectra of the cluster in regions that gave them clear information about the nature of the amine and hydroxyl functional groups involved in the hydrogen bonds that hold the cluster together. Looking in the mid-IR also gave them the first detailed observations about the role of the carboxylate functional groups in hydrogen bonding. In parallel, the researchers used advanced computer simulations to identify the most stable structures of the protonated serine octamer from more than 50,000 possibilities.

The predicted IR and mid-IR spectra from one of the most stable model structures matched the observed IR spectra. This model structure includes a central core of six serines linked to each other by three hydrogen bonds via their amine, hydroxyl, and carboxylate groups. The remaining two serines attach to the core through two hydrogen bonds, leaving their hydroxyl side chains dangling outside the cluster. Replacing one or both of these more loosely bound exterior serines with cysteine did not disrupt the predicted hydrogen bond network of the cluster’s core, supporting the experimental observation that other amino acids of the same chirality can substitute for one or two serines in the octamer.

This new structure is also more stable than previous structures proposed for the protonated serine octamer. Because highly stable structures tend to be symmetric, Seo was surprised that the core of this structure contained so much asymmetry.

“To have a small cluster and not be able to come up with a structure using the technology available over past 10 years is surprising,” says Cooks, who was not involved in this study. To make the finding possible, the researchers used all of the latest resources, with their combination of low-temperature IR spectroscopy and advances in computation, he notes: “If this structure is not exactly right, it must be very, very close to being right.”

This article is reproduced with permission from C&EN (© American Chemical Society). The article was first published on May 04, 2018.

Dye, Light, and Sound Reveal Tiny Cracks Deep Inside a Material

By teaming tiny capsules of dye with an emerging medical imaging technology, researchers can reveal micrometers-thin cracks lurking inside plastics and composites. The advance could lead to an early-warning system for aerospace parts, medical implants, and oil pipeline coatings, identifying tiny fractures before they grow large enough to trigger failure.

The technique allows the researchers to image micro-fractures that are 1 cm deep, and it should work even deeper, says Jefferson Chan, a chemist at the University of Illinois at Urbana-Champaign. While standard ultrasound imaging can detect advanced internal damage, Chan says, “we’re trying to diagnose early, when they’re still micro-cracks.”

Researchers have previously used damage-indicating plastics to reveal surface micro-cracks. These plastics typically contain tiny channels or beads that rupture when the plastic begins to crack, spilling chemicals that fluoresce or change color. But these visual cues cannot reveal deeper damage, because such cues would not travel through most materials.

Microcapsules (green) incorporated into an amine-containing epoxy resin rupture and release a pH-sensitive dye (red dots) when a crack forms. The released dye reacts with the amines in the resin, which allows it to absorb the pulsed laser light and emit a photoacoustic signal that is used to construct an image that reveals the crack.

Chan and his colleagues turned to photoacoustic imaging, a nascent medical imaging technology in which safe laser pulses are fired into tissue, making it quickly heat up and expand. As the tissue relaxes, it releases ultrasonic waves that are analyzed using the same process as regular ultrasound to produce high-resolution images.

To apply this technique to structural materials, the research team embedded microcapsules containing a pH-responsive, near-infrared dye in an amine-containing epoxy resin. The researchers monitored the resin by scanning it with laser light at a wavelength of 760 nm.

The dye within the capsules absorbs light at a near-IR wavelength of 680 nm, so the laser has no effect if the resin is unscathed. But when the material is damaged, the microcapsules break and release the dye, which reacts with the amine in the resin. This changes the dye’s pH and causes it to absorb light at 760 nm. Now, light pulses from the laser can excite the dye, heating it enough to generate a photoacoustic signal that is used to construct images.

To prove the system’s mettle, the team made 1- to 7.5-µm-wide scratches on resin samples, and then coated them with a 0.5-cm-thick layer of opaque gel. Photoacoustic images clearly showed all the cracks, even though they were invisible to the eye. The widest crack was clearly visible even under a 1-cm-thick gel layer. The method should work with any material as long as light can penetrate it, Chan says. It would not work for solid metal, for instance.

The visualization depth, meanwhile, is limited by his group’s laboratory equipment, which is meant for imaging small animals. State-of-the-art photoacoustic imagers can visualize cracks at high-resolution at depths of 8 to 10 cm, he says.

Christoph Weder, a polymer and materials chemist at the University of Fribourg says that the technique is exciting. It’s a clever, elegant way to “look inside” materials and detect micro-cracks, he says, and it should be fairly easy to apply it to other dyes and polymers. One concern, he says, is that current photoacoustic imaging methods might not be easy to use in a routine manner to monitor structures.

This could soon change. Photoacoustic imaging is a rapidly growing field, Chan says. “People are now developing handheld instrumentation that could expand the use of this technology.”

This article is reproduced with permission from C&EN (© American Chemical Society). The article was first published on April 20, 2018.

 

Making Paper Sustainably From Animal Waste

Paper may not be first thing you think of when you think of elephant dung, but it is an excellent source of cellulose for paper manufacturing in countries where trees are scarce. And in regions with plenty of farm animals such as cows, upcycling manure into paper products could be a cheap and environmentally sound method to get rid of this waste.

Watch Alexander Bismarck, Ph.D., Discuss These Findings at the 255th ACS National Meeting & Exposition

The idea for the project germinated on Crete, where Bismarck noticed goats munching on summer-dry grass in the small village where he was vacationing. After working with goat manure, Bismarck, who is at the University of Vienna, Austria, his postdoc Andreas Mautner, Ph.D., and graduate students Nurul Ain Kamal and Kathrin Weiland moved on to dung from horses, cows and eventually elephants. The supply of raw material is substantial: Parks in Africa that are home to hundreds of elephants produce tons of dung every day, and enormous cattle farms in the U.S. and Europe yield mountains of manure, according to Mautner.

The researchers treat the manure with a sodium hydroxide solution. This partially removes lignin — which can be used later as a fertilizer or fuel — as well as other impurities, including proteins and dead cells. To fully remove lignin and to produce white pulp for making paper, the material has to be bleached with sodium hypochlorite. The purified cellulose requires little if any grinding to break it down into nanofibers in preparation for use in paper, in contrast to conventional methods.

The dung-derived nanopaper could be used in many applications, including as reinforcement for polymer composites or filters that can clean wastewater before it’s discharged into the environment, Bismarck says. His team is working with an industrial consortium to further explore these possibilities. The nanopaper could also be used to write on, he says. The researchers are also investigating whether the process can be made even more sustainable, by first producing biogas from manure and then extracting cellulose fibers from the residue.

Learn about the 256th ACS National Meeting in Boston, Aug. 19-23.

ACS Editors’ Choice: Analysis of Students’ Annotations of Reaction Coordinate Diagrams — and More!

This week: Analysis of students’ annotations of reaction coordinate diagrams, microstructure and formation mechanism of gold-colored bizen stoneware, switching of radiation force on optically trapped microparticles — 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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“It’s Only the Major Product That We Care About in Organic Chemistry”: An Analysis of Students’ Annotations of Reaction Coordinate Diagrams

J. Chem. Educ., Article ASAP
DOI: 10.1021/acs.jchemed.8b00153
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Adventures in Atropisomerism: Total Synthesis of a Complex Active Pharmaceutical Ingredient with Two Chirality Axes

Org. Lett., Article ASAP
DOI: 10.1021/acs.orglett.8b01218
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Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-γ Inhibitors

J. Med. Chem., Article ASAP
DOI: 10.1021/acs.jmedchem.8b00447
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Alchemy in the Art of Traditional Japanese Ceramics: Microstructure and Formation Mechanism of Gold-Colored Bizen Stoneware

Cryst. Growth Des., Article ASAP
DOI: 10.1021/acs.cgd.8b00368
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Switching of Radiation Force on Optically Trapped Microparticles through Photochromic Reactions of Pyranoquinazoline Derivatives

J. Phys. Chem. C, Article ASAP
DOI: 10.1021/acs.jpcc.8b03420
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A Photoactivatable Far-Red/Near-Infrared BODIPY To Monitor Cellular Dynamics in Vivo

ACS Sens., Article ASAP
DOI: 10.1021/acssensors.8b00262
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Collagen Structure–Function Relationships from Solid-State NMR Spectroscopy

Acc. Chem. Res., Article ASAP
DOI: 10.1021/acs.accounts.8b00092
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Discover the Most-Read Physical Chemistry Articles of May 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 May 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 May’s most-read articles: AnalyticalApplied | Biological | Materials Science & Engineering | Multidisciplinary | Organic/Inorganic

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ACS Earth and Space Chemistry

Direct Measurement of Elemental Mercury Using Multidimensional Gas Chromatography with Microwave-Induced Helium Plasma Atomic Emission Spectroscopy
ACS Earth Space Chem., 2018, 2 (5), pp 471–478
DOI: 10.1021/acsearthspacechem.8b00008

Geochemical Evidence for Rare-Earth Element Mobilization during Kaolin Diagenesis
ACS Earth Space Chem., 2018, 2 (5), pp 506–520
DOI: 10.1021/acsearthspacechem.7b00124

Hg-Stable Isotope Variations in Marine Top Predators of the Western Arctic Ocean
This article is part of the Global Cycling of Mercury special issue.
ACS Earth Space Chem., 2018, 2 (5), pp 479–490
DOI: 10.1021/acsearthspacechem.8b00017

Interaction of Elemental Mercury with a Diverse Series of π-Organic Substrates Probed by Computational Methods: Is Mercury Fixation Possible?
This article is part of the Global Cycling of Mercury special issue.
ACS Earth Space Chem., 2018, 2 (5), pp 451–461
DOI: 10.1021/acsearthspacechem.7b00122

Isotopic Characterization of Mercury in Natural Gas via Analysis of Mercury Removal Unit Catalysts
ACS Earth Space Chem., 2018, 2 (5), pp 462–470
DOI: 10.1021/acsearthspacechem.7b00118

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ACS Energy Letters

Designing a Lower Band Gap Bulk Ferroelectric Material with a Sizable Polarization at Room Temperature
ACS Energy Lett., 2018, 3 (5), pp 1176–1182
DOI: 10.1021/acsenergylett.8b00492

Directions for True Development of Lithium Oxygen Batteries
ACS Energy Lett., 2018, 3 (5), pp 1102–1102
DOI: 10.1021/acsenergylett.8b00532

Dynamic Interaction between Methylammonium Lead Iodide and TiO2 Nanocrystals Leads to Enhanced Photocatalytic H2 Evolution from HI Splitting
ACS Energy Lett., 2018, 3 (5), pp 1159–1164
DOI: 10.1021/acsenergylett.8b00488

Encapsulation of Iron Nitride by Fe–N–C Shell Enabling Highly Efficient Electroreduction of CO2 to CO
ACS Energy Lett., 2018, 3 (5), pp 1205–1211
DOI: 10.1021/acsenergylett.8b00474

High Photovoltage of 1 V on a Steady-State Certified Hole Transport Layer-Free Perovskite Solar Cell by a Molten-Salt Approach
ACS Energy Lett., 2018, 3 (5), pp 1122–1127
DOI: 10.1021/acsenergylett.8b00293

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ACS Photonics

Beam Steering with Dielectric Metalattices
This article is part of the Ultra-Capacity Metasurfaces with Low Dimension and High Efficiency special issue.
ACS Photonics, 2018, 5 (5), pp 1733–1741
DOI: 10.1021/acsphotonics.7b01217

Electrically Tunable Slow Light Using Graphene Metamaterials
This article is part of the Ultra-Capacity Metasurfaces with Low Dimension and High Efficiency special issue.
ACS Photonics, 2018, 5 (5), pp 1800–1807
DOI: 10.1021/acsphotonics.7b01551

Geometric-Phase Metasurfaces Based on Anisotropic Reflection: Generalized Design Rules
This article is part of the Ultra-Capacity Metasurfaces with Low Dimension and High Efficiency special issue.
ACS Photonics, 2018, 5 (5), pp 1755–1761
DOI: 10.1021/acsphotonics.7b01363

Inverse-Design and Demonstration of Ultracompact Silicon Meta-Structure Mode Exchange Device
ACS Photonics, 2018, 5 (5), pp 1833–1838
DOI: 10.1021/acsphotonics.8b00013

Metasurfaces with Electric Quadrupole and Magnetic Dipole Resonant Coupling
ACS Photonics, 2018, 5 (5), pp 2022–2033
DOI: 10.1021/acsphotonics.7b01520

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Energy & Fuels

2nd International Conference on the Sustainable Energy and Environmental Development
Energy Fuels, 2018, 32 (5), pp 5665–5665
DOI: 10.1021/acs.energyfuels.8b00632

As Green As It Gets: An Abundant Kinetic Hydrate Inhibitor from Nature
Energy Fuels, 2018, 32 (5), pp 5772–5778
DOI: 10.1021/acs.energyfuels.8b00367

Coalescence of Crude Oil Droplets in Brine Systems: Effect of Individual Electrolytes
Energy Fuels, 2018, 32 (5), pp 5763–5771
DOI: 10.1021/acs.energyfuels.8b00309

Combined Experimental, Theoretical, and Molecular Simulation Approach for the Description of the Fluid-Phase Behavior of Hydrocarbon Mixtures within Shale Rocks
Open access through ACS AuthorChoice
Energy Fuels, 2018, 32 (5), pp 5750–5762
DOI: 10.1021/acs.energyfuels.8b00200

Comparison of Catalysts Based on Individual Alkali and Alkaline Earth Metals with Their Composites Used for Steam Gasification of Coal
Energy Fuels, 2018, 32 (5), pp 5684–5692
DOI: 10.1021/acs.energyfuels.7b03562

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Industrial & Engineering Chemistry Research

Comprehensive Review of the Design Optimization of Natural Gas Liquefaction Processes: Current Status and Perspectives
Ind. Eng. Chem. Res., 2018, 57 (17), pp 5819–5844
DOI: 10.1021/acs.iecr.7b03630

Efficient Removal of Pb2+ from Aqueous Solution by an Ionic Covalent–Organic Framework: Molecular Simulation Study
Ind. Eng. Chem. Res., 2018, 57 (18), pp 6477–6482
DOI: 10.1021/acs.iecr.8b00625

Hierarchical NiO@NiCo2O4 Core–shell Nanosheet Arrays on Ni Foam for High-Performance Electrochemical Supercapacitors
Ind. Eng. Chem. Res., 2018, 57 (18), pp 6246–6256
DOI: 10.1021/acs.iecr.8b00467

Key Issues and Challenges on the Liquefied Natural Gas Value Chain: A Review from the Process Systems Engineering Point of View
Ind. Eng. Chem. Res., 2018, 57 (17), pp 5805–5818
DOI: 10.1021/acs.iecr.7b03899

Manufacturing Ethylene from Wet Shale Gas and Biomass: Comparative Technoeconomic Analysis and Environmental Life Cycle Assessment
This article is part of the PSE Advances in Natural Gas Value Chain special issue.
Ind. Eng. Chem. Res., 2018, 57 (17), pp 5980–5998
DOI: 10.1021/acs.iecr.7b03731

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Journal of Chemical & Engineering Data

Comment on “Determination and Correlation of Liquid–Liquid Equilibrium Data for the Ternary Dichloromethane + Water + N,N-Dimethylacetamide System”
J. Chem. Eng. Data, 2018, 63 (5), pp 1841–1843
DOI: 10.1021/acs.jced.6b00473

Ensuring That Correlation Parameters for Liquid–Liquid Equilibrium Produce the Right Results
J. Chem. Eng. Data, 2018, 63 (5), pp 1133–1134
DOI: 10.1021/acs.jced.8b00260

Improving CO2 Adsorption Capacity and CO2/CH4 Selectivity with Amine Functionalization of MIL-100 and MIL-101
J. Chem. Eng. Data, 2018, 63 (5), pp 1657–1662
DOI: 10.1021/acs.jced.8b00014

Phosphonium-Based Poly(ionic liquid)/Ionic Liquid Ion Gel Membranes: Influence of Structure and Ionic Liquid Loading on Ion Conductivity and Light Gas Separation Performance
J. Chem. Eng. Data, 2018, 63 (5), pp 1154–1162
DOI: 10.1021/acs.jced.7b00541

Retraction of “Determination and Correlation of Liquid–Liquid Equilibrium Data for the Ternary Dichloromethane + Water + N,N-Dimethylacetamide System”
J. Chem. Eng. Data, 2018, 63 (5), pp 1847–1847
DOI: 10.1021/acs.jced.8b00247

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Journal of Chemical Information and Modeling

Computational Chemistry: A Rising Tide of Women
J. Chem. Inf. Model., 2018, 58 (5), pp 911–915
DOI: 10.1021/acs.jcim.8b00170

Conformal Regression for Quantitative Structure–Activity Relationship Modeling—Quantifying Prediction Uncertainty
J. Chem. Inf. Model., 2018, 58 (5), pp 1132–1140
DOI: 10.1021/acs.jcim.8b00054

Exploration and Comparison of the Geometrical and Physicochemical Properties of an αC Allosteric Pocket in the Structural Kinome
J. Chem. Inf. Model., 2018, 58 (5), pp 1094–1103
DOI: 10.1021/acs.jcim.7b00735

Force Field Benchmark of Amino Acids: I. Hydration and Diffusion in Different Water Models
J. Chem. Inf. Model., 2018, 58 (5), pp 1037–1052
DOI: 10.1021/acs.jcim.8b00026

mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets
Open access through ACS Editors’ Choice
J. Chem. Inf. Model., 2018, 58 (5), pp 902–910
DOI: 10.1021/acs.jcim.8b00173

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Journal of Chemical Theory and Computation

Ab Initio Potential Energy Surfaces and Quantum Dynamics for Polyatomic Bimolecular Reactions
J. Chem. Theory Comput., 2018, 14 (5), pp 2289–2303
DOI: 10.1021/acs.jctc.8b00006

Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes
J. Chem. Theory Comput., 2018, 14 (5), pp 2304–2311
DOI: 10.1021/acs.jctc.7b01196

Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes
J. Chem. Theory Comput., 2018, 14 (5), pp 2456–2468
DOI: 10.1021/acs.jctc.8b00061

Finite-Size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2018, 14 (5), pp 2667–2677
DOI: 10.1021/acs.jctc.8b00170

On the Computational Characterization of Charge-Transfer Effects in Noncovalently Bound Molecular Complexes
J. Chem. Theory Comput., 2018, 14 (5), pp 2401–2417
DOI: 10.1021/acs.jctc.7b01256

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The Journal of Physical Chemistry A

Effect of Coulomb Correlation on the Magnetic Properties of Mn Clusters
J. Phys. Chem. A, 2018, 122 (17), pp 4350–4356
DOI: 10.1021/acs.jpca.8b00540

Gas-Phase Ion Chemistry of Metalloporphyrin Anions with Molecular Oxygen: Probing the Influence of the Oxidation and Spin State of the Central Transition Metal by Experiment and Theory
J. Phys. Chem. A, 2018, 122 (17), pp 4357–4365
DOI: 10.1021/acs.jpca.8b01715

Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes
Open access through ACS Editors’ Choice
J. Phys. Chem. A, 2018, 122 (17), pp 4219–4245
DOI: 10.1021/acs.jpca.7b08966

Machine-Learning Energy Gaps of Porphyrins with Molecular Graph Representations
J. Phys. Chem. A, 2018, 122 (18), pp 4571–4578
DOI: 10.1021/acs.jpca.8b02842

N–H···S Interaction Continues To Be an Enigma: Experimental and Computational Investigations of Hydrogen-Bonded Complexes of Benzimidazole with Thioethers
J. Phys. Chem. A, 2018, 122 (17), pp 4313–4321
DOI: 10.1021/acs.jpca.8b01943

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The Journal of Physical Chemistry B

Dynamics of Long-Distance Hydrogen-Bond Networks in Photosystem II
Open access through ACS Editors’ Choice
J. Phys. Chem. B, 2018, 122 (17), pp 4625–4641
DOI: 10.1021/acs.jpcb.8b00649

Effect of Hydrogen-Bonding Interaction on the Arrangement and Dynamics of Water Confined in a Polyamide Membrane: A Molecular Dynamics Simulation
J. Phys. Chem. B, 2018, 122 (17), pp 4719–4728
DOI: 10.1021/acs.jpcb.7b12790

Elucidating Structural Evolution of Perylene Diimide Aggregates Using Vibrational Spectroscopy and Molecular Dynamics Simulations
J. Phys. Chem. B, 2018, 122 (18), pp 4891–4900
DOI: 10.1021/acs.jpcb.8b02355

Generic Schemes for Single-Molecule Kinetics. 3: Self-Consistent Pathway Solutions for Nonrenewal Processes
J. Phys. Chem. B, 2018, 122 (17), pp 4601–4610
DOI: 10.1021/acs.jpcb.7b10507

Hydrogen-Bond Networks near Supported Lipid Bilayers from Vibrational Sum Frequency Generation Experiments and Atomistic Simulations
J. Phys. Chem. B, 2018, 122 (18), pp 4870–4879
DOI: 10.1021/acs.jpcb.8b02138

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The Journal of Physical Chemistry C

Borophene as Conductive Additive to Boost the Performance of MoS2-Based Anode Materials
J. Phys. Chem. C, 2018, 122 (17), pp 9302–9311
DOI: 10.1021/acs.jpcc.8b00768

Effect of Surface Trap States on Photocatalytic Activity of Semiconductor Quantum Dots
J. Phys. Chem. C, 2018, 122 (17), pp 9312–9319
DOI: 10.1021/acs.jpcc.8b01206

Impacts of the Properties of Anode Solid Electrolyte Interface on the Storage Life of Li-Ion Batteries
J. Phys. Chem. C, 2018, 122 (17), pp 9411–9416
DOI: 10.1021/acs.jpcc.7b11757

Manifold Coupling Mechanisms of Transition Metal Dichalcogenides to Plasmonic Gold Nanoparticle Arrays
J. Phys. Chem. C, 2018, 122 (17), pp 9663–9670
DOI: 10.1021/acs.jpcc.8b01154

Pressure-Tailored Band Gap Engineering and Structure Evolution of Cubic Cesium Lead Iodide Perovskite Nanocrystals
J. Phys. Chem. C, 2018, 122 (17), pp 9332–9338
DOI: 10.1021/acs.jpcc.8b01673

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The Journal of Physical Chemistry Letters

Fourier Transform Infrared Analysis of the S-State Cycle of Water Oxidation in the Microcrystals of Photosystem II
Open access through ACS Editors’ Choice
J. Phys. Chem. Lett., 2018, 9 (9), pp 2121–2126
DOI: 10.1021/acs.jpclett.8b00638

HOMO Level Pinning in Molecular Junctions: Joint Theoretical and Experimental Evidence
J. Phys. Chem. Lett., 2018, 9 (9), pp 2394–2403
DOI: 10.1021/acs.jpclett.8b00575

Noncovalent Molecular Electronics
J. Phys. Chem. Lett., 2018, 9 (9), pp 2298–2304
DOI: 10.1021/acs.jpclett.8b00980

One-Dimensional Organic–Inorganic Hybrid Perovskite Incorporating Near-Infrared-Absorbing Cyanine Cations
J. Phys. Chem. Lett., 2018, 9 (9), pp 2438–2442
DOI: 10.1021/acs.jpclett.8b00458

Organic–Inorganic Hybrid Ruddlesden–Popper Perovskites: An Emerging Paradigm for High-Performance Light-Emitting Diodes
J. Phys. Chem. Lett., 2018, 9 (9), pp 2251–2258
DOI: 10.1021/acs.jpclett.8b00755