March 2022 - ACS Axial | ACS Publications

2022 The Journal of Physical Chemistry and PHYS Division Lectureship Winners Announced

The recipients of 2022 The Journal of Physical Chemistry and PHYS Division Lectureship Awards are:

  • Jonas Elm, Aarhus University, Denmark
  • Krupa Ramasesha, Sandia National Laboratories, USA
  • Joel Yuen-Zhou, University of California San Diego, USA

The Journal of Physical Chemistry and PHYS Division Lectureship Awards honor the contributions of investigators who have made major impacts on the field of physical chemistry in the research areas associated with each section of the journal – The Journal of Physical Chemistry A, The Journal of Physical Chemistry B, and The Journal of Physical Chemistry C.

I spoke with the recipients to find out what the award means to them.

Jonas Elm – The Journal of Physical Chemistry A Recipient

Jonas Elm, Aarhus University, DenmarkThe Journal of Physical Chemistry A award honors an investigator in the areas of molecules, clusters, and aerosols.

Jonas Elm received a PhD degree in theoretical chemistry from the University of Copenhagen (2014) working with computational modelling of atmospheric molecular clusters under the supervision of Prof. Kurt V. Mikkelsen and Merete Bilde. In 2014 he joined as a postdoc in the center for exploitation of solar energy at the University of Copenhagen, where he computationally screened for new target photoswitch molecules for application as solar heat batteries. In 2015 he joined the group of Prof. Hanna Vehkamäki at the University of Helsinki, where he was working as a postdoc modelling atmospheric new particle formation using quantum chemical methods.

In 2017 he started a postdoc position at Aarhus University working with Prof. Merete Bilde modelling iodine reaction kinetics. In 2020 he was employed as assistant professor at Aarhus University to initiate an independent research group. The overarching goal of the research group is to implement more theoretically sound chemical schemes into atmospheric models. His research group is currently striving towards developing a unified atmospheric new particle formation model using a combination of quantum chemical calculations and machine learning methods.

What do you consider to be the most important advancement in physical chemistry in the past five years?

I consider the development and application of machine learning (ML) models to quantum chemical (QC) datasets as one of the most important advances in physical chemistry in the recent years. Modern ML models provide an important complimentary tool to expensive QC calculations. Hence, now it is possible to boost QC calculations with data-driven approaches far beyond what was possible five years ago. We are currently working on applying ML to study atmospheric cluster formation and initial results look extremely promising.

What advances has your lab made in the past five years?

In the recent years our research aim has been to study atmospheric new particle formation. Especially, the modelling of the initial formation of atmospheric molecular clusters has been our prime research. Atmospheric molecular clusters are difficult to model, as there are many combinations of molecules that might be relevant, and each of the combination can further exist in numerous configurations.

We recently outlined a holistic approach, coined clusteromics, which involves the comprehensive screening of small multi-component molecular clusters. Such an approach will simultaneously yield direct insight into the chemical species involved in cluster formation while assisting in the construction of thermochemical databases that can act as basis for quantum machine learning. Hence, in the recent years we have significantly advanced the field by improving the understanding of which chemical species that are involved in the initial cluster formation steps and paved the way for more data-driven approaches.

What’s next in your research?

In our future research we wish to go beyond the modelling of small atmospheric molecular clusters and into the modeling of realistic sized freshly nucleated particles. This is an enormous leap forward in the field but will most likely also give rise to many obstacles as we might need to model up to hundreds of molecules. Our first course of action is to attempt to figure out the composition of freshly nucleated particles and how they interact with their environment.

There lie many challenges ahead, as the usual quantum chemical methods used to model small clusters are simply too computationally expensive to apply to freshly nucleated particles. However, I am eager to get started on this new adventure into unknown territory.

What physical chemistry problems are you hoping to see get solved in the next decade?

Atmospheric aerosol particles remain the largest uncertainty in global climate estimation. In order to truly reduce this uncertainty molecular-level data are required. My hope is that within ten years, we can model realistic sized aerosol particles using state of the art QC+ML methods. Obtaining molecular level data on aerosol particle processes, such as formation, growth, chemical reactions at the surface or inside and implementing such processes into models will effectively push the field to a completely new level.

While there is a long way there, I sincerely hope that we will see more molecular modelling of aerosol particles in the future.

Explore articles published by Jonas Elm in ACS Publications journals:

Explore Jonas’ articles

Krupa Ramasesha – The Journal of Physical Chemistry B Recipient

Krupa Ramasesha, Sandia National Laboratories, USA

The Journal of Physical Chemistry B award honors an investigator in the areas of biophysics, biomaterials, liquids, and soft matter.

Krupa Ramasesha is a Staff Scientist at the Combustion Research Facility at Sandia National Laboratories in Livermore, California. She is leading a research program that investigates ultrafast photo-induced energy and charge transfer dynamics in the gas and condensed phases, employing ultrafast electronic and vibrational spectroscopies as well as ultrafast electron diffraction. She received a B.S. in Chemistry from the University of Wisconsin-Madison, where she worked with Fleming Crim exploring solution-phase radical reactions and photoisomerization dynamics via time-resolved electronic spectroscopy. Krupa earned her Ph.D. from the Massachusetts Institute of Technology working with Andrei Tokmakoff to investigate hydrogen bonding dynamics in water and aqueous proton transfer dynamics using ultrafast broadband multidimensional infrared spectroscopy. Subsequently, she worked with Stephen Leone and Daniel Neumark at the University of California, Berkeley, as a postdoctoral fellow studying attosecond electron dynamics in semiconductors using soft X-ray core-level spectroscopy.

Prior to starting as a staff scientist, Krupa worked with David Osborn at Sandia, investigating chemical reaction kinetics relevant to combustion and atmospheric chemistry employing synchrotron-based photoionization mass spectrometry.

What do you consider to be the most important advancement in physical chemistry in the past five years?

The past five years have seen accelerated deployment of ultrafast core-level spectroscopies and ultrafast diffraction techniques, both on the lab-scale and in large-scale facilities, providing unprecedented insights into temporally and spatially resolved electronic and structural dynamics and their complex interplay. It has been particularly exciting to see these approaches being applied to study textbook examples of molecular transformations and interactions, providing a deeper understanding of widely taught concepts surrounding the nature of chemical bonding. These experimental breakthroughs have also presented new opportunities for benchmarking and constraining theoretical methods for systems ranging in chemical complexity.

What advances has your lab made in the past five years?

The goal of my research program is to understand the ultrafast chemical dynamics governing energy conversion in photo-excited gas phase and condensed phase systems. Over the past five years, my lab has investigated vibrational, structural, and electronic dynamics governing two- to many-body photodissociation of transition metal carbonyl photocatalysts, disulfides, and organic halides in the gas phase.

These studies have shed light on the excited state dissociation mechanisms and the intricate non-adiabatic dynamics that underpin them. In the condensed phase, we have studied ultrafast vibrational energy transfer in molecular solids such as energetic materials, revealing both fast and surprisingly slow vibrational dynamics that contribute to the chemical processes preceding initiation. My lab employs a suite of nonlinear spectroscopy techniques, such as ultrafast broadband infrared spectroscopy, ultrafast core-level spectroscopy, and ultrafast electron diffraction, with the objective of developing a comprehensive picture of the chemical dynamics.

What’s next in your research?

The research areas I plan to explore over the coming years include ultrafast excited state dynamics of open-shell species as well as intramolecular, intermolecular, and interfacial photoinduced charge transfer dynamics, with the goal of both understanding and perhaps controlling these processes. To this end, we will continue to employ and develop nonlinear spectroscopic techniques spanning the infrared to X-ray regimes, coupled with the application of high-level electronic structure theory through collaborations.

What physical chemistry problems are you hoping to see get solved in the next decade?

Despite its applicability to most all photophysical and photochemical processes, developing accurate descriptions of excited state chemical dynamics has remained an enduring challenge in physical chemistry. This is particularly the case for excited state charge transfer, where it is well known that the dynamics are not only complicated by non-adiabatic effects but also by strong electron correlation, and, especially in the case of organometallics, relativistic effects.

I am hoping to see, and expect to contribute to, scientific advances that enable predictive understanding of charge transfer dynamics through systematic investigations starting from isolated molecules and building up to more complex systems. Such investigations will require the use of incisive and diverse spectroscopic tools, in conjunction with theory, to monitor both electronic and structural dynamics underlying excited state charge transfer.

Explore articles published by Krupa Ramasesha in ACS Publications journals.

Explore Krupa’s articles

Joel Yuen-Zhou – The Journal of Physical Chemistry C Recipient

Joel Yuen-Zhou, University of California San Diego, USAThe Journal of Physical Chemistry C award honors an investigator in the areas of energy, materials, and catalysis.

Joel Yuen-Zhou graduated with B.Sc. in Chemistry and B.Sc. in Mathematics in 2007 from MIT, and a Ph.D. in Chemical Physics in 2012 from Harvard, where he studied nonlinear optical spectroscopies from the viewpoint of quantum information processing under the supervision of Alán Aspuru Guzik. In 2013-2015, he held the Robert J. Silbey Postdoctoral fellowship at the Center for Excitonics at MIT, where he explored aspects of topological protection in excitonic and polaritonic systems.

Since 2015, he has been a faculty member at the Department of Chemistry and Biochemistry of UCSD, becoming Associate professor with tenure in 2020. His research encompasses the theoretical study of unconventional regimes of molecular light-matter interactions including the strong and ultrastrong coupling regimes. He has been a recipient of the NSF CAREER (2017), DOE Early Career (2018), ACS Open Eye (2019), Sloan Fellowship (2021), Camile Dreyfus Teacher Scholar (2021) awards, and a finalist in the Blavatnik National Awards for Young Scientists (2020).

What do you consider to be the most important advancement in physical chemistry in the past five years?

I am not sure I can pinpoint a single most important advancement. I see a number of exciting frontiers emerging (several of which I have not been involved with), including applications of machine learning to computational chemistry or the discovery of unifying principles to understand fluctuations in nonequilibrium thermodynamics, to mention a few.

Closer to my area of research, I regard the experimental demonstration of unconventional regimes of light-matter interaction at room-temperature, such as strong and ultrastrong coupling of optical micro- and nanocavities to molecular systems, and its use towards the control of physicochemical properties of molecular materials, as one of the most important advancements in physical chemistry.

What advances has your lab made in the past five years?

My research group has provided theoretical and computational tools to describe the mechanisms whereby condensed phase chemical dynamics and molecular spectroscopy can be affected by strong light-matter coupling in optical microcavities. Some of the work we are most excited about are on polariton-assisted photophysics, energy transfer, and remote chemistry, the harnessing of novel optical nonlinearities mediated by cavities, and cavity reaction-rate theories.

Besides polariton chemistry, my group is also broadly interested in other unconventional light-matter interactions, such as Floquet engineering and laser dressing. These ideas have been popularized in the solid-state community, but less so in the molecular materials one. For instance, we are very excited about recent work where we show that topological frequency conversion can distinguish between two types of molecular enantiomers.

What’s next in your research?

Polariton condensates (nonequilibrium analogues of Bose-Einstein condensates) are states featuring a macroscopic number of excitations in a single polariton mode. They have been routinely demonstrated within the last decade in a variety of organic dye microcavities. Surprisingly, their potential as agents that undergo chemical change had not been explored until recently, where we demonstrated that they offer unique energy redistribution processes that cannot be found in bare molecular systems excited with laser light.

I believe that chemistry with polariton condensates is an exciting frontier in physical chemistry that could challenge well-established paradigms in chemical physics, and we are currently working on elucidating their fundamental physicochemical properties.

What physical chemistry problems are you hoping to see get solved in the next decade?

 A great mystery in the field is vibropolaritonic chemistry, where chemical reaction rates are experimentally reported to be modified under collective vibrational strong coupling. At present, theories that acknowledge the collectivity of the light-matter coupling cannot explain changes in adiabatic reaction rates within the framework of equilibrium transition-state theory. I believe it is of paramount importance to resolve this experiment/theory inconsistency.

Explore articles published by Joel Yuen-Zhou in ACS Publications journals.

Explore Joel’s articles

Celebrate Earth Week 2022 with Resources from the Journal of Chemical Education

Chemists Celebrate Earth Week 2022 will be celebrated April 17-23, 2022 with the theme, “The Buzz About Bugs: Insect Chemistry.” To help explore this topic, the Journal of Chemical Education has resources for bringing ideas to students on chemistry, insects, and the natural world. Through the articles and experiments listed below, students can examine the properties of insects, explore insects and scent, experiment with natural products, and investigate insecticides and insect repellents. With 99 volumes of interesting material on a wide variety of topics, it is easy to connect the classroom experience to the greater world through the Journal of Chemical Education.

Connecting Chemistry Education and Insects
Thomas Holme
Journal of Chemical Education 2022 99 (4), 1545-1546
DOI: 10.1021/acs.jchemed.2c00233

Properties of Insects

Investigating Nanoscopic Structures on a Butterfly Wing To Explore Solvation and Coloration
Brittany A. Bober, Jennifer K. Ogata, Veronica E. Martinez, Janae J. Hallinan, Taylor A. Leach, and Bogdan Negru
Journal of Chemical Education 2018, 95 (6), 1004-1011
DOI: 10.1021/acs.jchemed.7b00463

Chiroptical Smart Paints: Polymerization of Helical Structures in Cholesteric Liquid Crystal Films
Hyeyoon Ko, Minwook Kim, Youngjae Wi, Minwoo Rim, Seok-In Lim, Jahyeon Koo, Dong-Gue Kang, and Kwang-Un Jeong
Journal of Chemical Education 2021, 98 (8), 2649-2654
DOI: 10.1021/acs.jchemed.1c00168

Bringing Light to Science Undergraduate Students: A Successful Laboratory Experiment Illustrating the Principles and Applications of Bioluminescence
Ángel Luis García-Ponce, José Antonio Torres-Vargas, Melissa García-Caballero, Miguel Ángel Medina, Ángel Blanco-López, and Ana R. Quesada
Journal of Chemical Education 2021, 98 (7), 2419-2429
DOI: 10.1021/acs.jchemed.0c00536

Electroless Deposition on Three Substrates: Brass Washers, Cicada Exoskeletons, and Beetles
Craig J. Donahue, Amina Marini, Codruta Savu, and Hanan Yehya
Journal of Chemical Education 2019, 96 (10), 2279-2285
DOI: 10.1021/acs.jchemed.9b00055

Insects and Scent

Transmutation of Scent: An Evaluation of the Synthesis of Methyl Cinnamate, a Commercial Fragrance, via a Fischer Esterification for the Second-Year Organic Laboratory
Jacob H. Steele, Marie X. Bozor, and Gregory R. Boyce
Journal of Chemical Education 2020, 97 (11), 4127-4132
DOI: 10.1021/acs.jchemed.0c00861

Learning Organic Chemistry through a Study of Semiochemicals
Johannes Pernaa and Maija Aksela
Journal of Chemical Education 2011, 88 (12), 1644-1647
DOI: 10.1021/ed900050g

The Synthesis of a Cockroach Pheromone. An Experiment for the Second-Year Organic Chemistry Laboratory
Patty L. Feist
Journal of Chemical Education 2008, 85 (11), 1548-1549
DOI: 10.1021/ed085p1548

Determination of Plant Volatiles Using Solid Phase Microextraction GC–MS
Scott Van Bramer and Katherine R. Goodrich
Journal of Chemical Education 2015, 92 (5), 916-919
DOI: 10.1021/ed5006807

Insects and Natural Products

The Chemical Composition of Honey
David W. Ball
Journal of Chemical Education 2007, 84 (10), 1643
DOI: 10.1021/ed084p1643

Natural Product Total Synthesis in the Organic Laboratory: Total Synthesis of Caffeic Acid Phenethyl Ester (CAPE), A Potent 5-Lipoxygenase Inhibitor from Honeybee Hives
Mohamed Touaibia and Michel Guay
Journal of Chemical Education 2011, 88 (4), 473-475
DOI: 10.1021/ed100050z

Synthesis and Analytical Characterization of Purpurogallin: A Pharmacologically Active Constituent of Oak Galls
Alexandra E. Kelly-Hunt, Aman Mehan, Sarah Brooks, Miron A. Leanca, Jack E. D. McKay, Nashad Mahamed, Daniel Lambert, Nicola M. Dempster, Robert J. Allen, Andrew R. Evans, Satyajit D Sarker, Lutfun Nahar, George P. Sharples, Michael G. B. Drew, Alistair J. Fielding, and Fyaz M. D. Ismail
Journal of Chemical Education 2022, 99 (2), 983-993
DOI: 10.1021/acs.jchemed.1c00699

Synthesis, Characterization, and Secondary Structure Determination of a Silk-Inspired, Self-Assembling Peptide: A Laboratory Exercise for Organic and Biochemistry Courses
Tyler J. Albin, Melany M. Fry, and Amanda R. Murphy
Journal of Chemical Education 2014, 91 (11), 1981-1984
DOI: 10.1021/ed5001203

Polyester-making bees and other innovative insect chemists
Suzanne W. T. Batra
Journal of Chemical Education 1985, 62 (2), 121
DOI: 10.1021/ed062p121

Bioplastics in the General Chemistry Laboratory: Building a Semester-Long Research Experience
Alexandra M. Ward and Graeme R. A. Wyllie
Journal of Chemical Education 2019, 96 (4), 668-676
DOI: 10.1021/acs.jchemed.8b00666

An Advanced Spectroscopy Lab That Integrates Art, Commerce, and Science as Students Determine the Electronic Structure of the Common Pigment Carminic Acid
Suqing Liu, Asami Odate, Isabella Buscarino, Jacqueline Chou, Kathleen Frommer, Margeaux Miller, Alison Scorese, Marisa C. Buzzeo, and Rachel Narehood Austin
Journal of Chemical Education 2017, 94 (2), 216-220
DOI: 10.1021/acs.jchemed.6b00644

Introducing Students to Fundamental Chemistry Concepts and Basic Research through a Chemistry of Fashion Course for Nonscience Majors
Karen A. Tallman
Journal of Chemical Education 2019, 96 (9), 1906-1913
DOI: 10.1021/acs.jchemed.8b00826

Insecticides and Insect Repellents

Phytochemical Analysis and Determination of the Chemical Composition of Larvicidal Extracts of Black Pepper (Piper nigrum L.) Waste: An Undergraduate Chemistry Experiment
Danielle R. Lucas, Thaiany S. C. Bressiani, Anne C. C. Gomes, Ingrid M. Hayashide, Naomi K. Simas, Maria F. F. Lelis, Ricardo M. Kuster, and Paulo R. G. Moura
Journal of Chemical Education 2021, 98 (4), 1397-1403
DOI: 10.1021/acs.jchemed.0c01106

Analysis of Pesticides in Plant Foods by QuEChERS and Gas Chromatography–Mass Spectrometry: An Undergraduate Laboratory Experiment
Matt J. Hengel, Jon W. Wong, Zachary C. Redman, Caitlin Rering, and Katryn L. Williams
Journal of Chemical Education 2020, 97 (1), 226-233
DOI: 10.1021/acs.jchemed.9b00476

Biological Impact and Ethical Implications of Pesticide Use: A Short Module for Upper-Division-Undergraduate Biochemistry Courses
Lisa M. Ryno and Cheryl Cottine
Journal of Chemical Education 2018, 95 (10), 1771-1777
DOI: 10.1021/acs.jchemed.8b00379

Project-Based Learning in Undergraduate Environmental Chemistry Laboratory: Using EPA Methods To Guide Student Method Development for Pesticide Quantitation
Eric J. Davis, Steve Pauls, and Jonathan Dick
Journal of Chemical Education 2017, 94 (4), 451-457
DOI: 10.1021/acs.jchemed.6b00352

Liquid-Liquid Extraction of Insecticides from Juice: An Analytical Chemistry Laboratory Experiment
Samantha A. Radford, Ronald E. Hunter, Dana Boyd Barr, and P. Barry Ryan
Journal of Chemical Education 2013, 90 (4), 483-486
DOI: 10.1021/ed300389p

An Indexed Combinatorial Library: The Synthesis and Testing of Insect Repellents
William H. Miles, Kathy A. Gelato, Kristen M. Pompizzi, Aislinn M. Scarbinsky, Brian K. Albrecht, and Elaine R. Reynolds
Journal of Chemical Education 2001, 78 (4), 540-542
DOI: 10.1021/ed078p540

Operationally Simple Synthesis of N,N-Diethyl-3-methylbenzamide (DEET) Using COMU as a Coupling Reagent
Jonathan M. Withey and Andrea Bajic
Journal of Chemical Education 2015, 92 (1), 175-178
DOI: 10.1021/ed500488x

Synthesis of N,N-Diethyl-3-methylbenzamide (DEET): Two Ways to the Same Goal
Jean Christophe Habeck, Lamine Diop, and Michael Dickman
Journal of Chemical Education 2010, 87 (5), 528-529
DOI: 10.1021/ed800169h

Microwave-Assisted Synthesis of a Natural Insecticide on Basic Montmorillonite K10 Clay. Green Chemistry in the Undergraduate Organic Laboratory
Matthew R. Dintzner, Paul R. Wucka, and Thomas W. Lyons
Journal of Chemical Education 2006, 83 (2), 270-272
DOI: 10.1021/ed083p270

Chemistry of Moth Repellents
Gabriel Pinto
Journal of Chemical Education 2005, 82 (9), 1321
DOI: 10.1021/ed082p1321

JACS Au launches first Virtual Issue

We all are witnesses to the recent explosion of applications of machine learning in many branches of science. As a way to realize artificial intelligence (AI), machine learning itself has undergone three stages of progression, being deductive (1950s), knowledge-based (1980s), and data-driven (2000 to now). Undoubtedly, big data, i.e., the increasing accumulation of learnable data, has enabled numerous recent scientific achievements through machine learning, highlighting the above progression of this field of science. Nowadays, machine learning has achieved significant successes in many disciplines, including mathematics, physics, materials science, environmental science, biology and medicine, as well as chemistry. Specifically, it has greatly boosted the measurement and characterization of chemical species and materials, the analysis and understanding of chemical data and simulation results, as well as the design and optimization of chemical reagents and reaction pathways.

Machine learning is an essential tool for chemists and engineers to predict or gain deeper understanding of chemical processes, allowing more rapid discoveries and providing access to possibilities only previously imagined. JACS Au is excited to announce the publication of its first Virtual Issue in this exciting area of chemistry.

Covering a wide variety of topics such as analytical chemistry, catalysis, diagnostics, drug discovery, proteins, reaction prediction, spectroscopy and so on, the 15 manuscripts in this collection highlight some of the exciting work in this subfield published by the journal, offering engaging insight into current and future directions of this work within the chemical sciences. 

Read the virtual issue

Join us to celebrate the Journal of Agricultural and Food Chemistry’s 70th Anniversary

ACS Publications is pleased to announce an upcoming virtual forum in celebration of the 70th anniversary of the Journal of Agricultural and Food Chemistry (JAFC). Attendees of the April 21st free event will have the opportunity to network with the editors of JAFC and its portfolio of journals, and will learn more about some of the latest research being done by scientists at research institutions and corporations around the world.

In the past few years, ACS Publications has expanded its footprint in the agricultural and food science fields, establishing two new journals in 2020. Guided by JAFC Editor-in-Chief Thomas Hofmann, Ph.D., ACS Agricultural Science & Technology is led by Deputy Editor Laura L. McConnell, Ph.D., Bayer Science Fellow at Bayer Crop Science, and ACS Food Science & Technology is led by Deputy Editor Coralia Osorio Roa, Ph.D., of the Universidad Nacional de Colombia. Each of the editors will be participating in the event, and guests will learn more about them in an interactive break during the event.

“This event is an excellent opportunity for researchers in the fields of agricultural and food chemistry to hear the latest research in their fields, and to network with leading scientists,” says William King, managing editor of the JAFC journal portfolio at ACS. “I encourage researchers at all stages of their career to join us on April 21 for an innovative exchange of ideas and scientific advancements.”

The full agenda of speakers includes lectures by Ruth Wagner, Ph.D., Bayer Crop Science; Michiya Matsusaki, Ph.D., Osaka University; Corinna Dawid, Ph.D., Technical University of Munich; and Luis Cisneros-Zevallos, Ph.D., Texas A&M University. The full agenda for the event can be found here.

The forum is free, and attendees can register to attend at this link. Those unable to attend the event will be able to watch the recording on the ACS Publications Events Site.

Register now

Crystal Growth & Design introduces 3D structure viewers on its articles

ACS Publications is pleased to enhance our continued partnership with the Cambridge Crystallographic Date Centre (CCDC). Effective March 2022, research articles published in Crystal Growth & Design that have associated CIF files stored at the CCDC, will have those structures visualized directly on the article page. The interactive 3D visualizer is located in the supporting information, just after the conclusion of the article. Researchers will be able to click through to see more info on the structure or download the underlying data set from the CCDC. Currently, the interactive 3D visualizer is only available on Crystal Growth & Design, but we plan to expand this to other ACS journals in the coming months.

Check out the Crystal Growth & Design article, Discovering Crystal Forms of the Novel Molecular Semiconductor OEG-BTBT, to discover the CIF viewer which is shown here:

Authors that deposit CIF files with the CCDC via the CCDC’s CIF deposition service prior to submission to Crystal Growth & Design will see these 3D visualizations on their published articles. Please also review the guidelines for the CIF Workflow when submitting research:

  • CIF files and structure factor data must be deposited with CCDC via the CCDC’s CIF deposition service prior to submission with the participating ACS Publications.
  • CIF files deposited with the CCDC should NOT be uploaded in ACS Paragon Plus at submission.
  • checkCIF files are required and should be generated during CIF deposition at CCDC and uploaded as Supporting Information for Review Only in ACS Paragon Plus.
  • Authors should defend/respond to A and/or B level alerts in their cover letter (as required by the individual journal) and these may be added to the CIF during CIF deposition at CCDC.
  • All revised CIF files should be uploaded to CCDC only and the changes should be communicated to the journal office at revision.

View the complete Requirements for Depositing X-Ray Crystallographic Data in our author guidelines for all details on submission of CIFs and a list of file types accommodated by the CCDC.

Call for Papers: 10th HUPO Human Proteome Project (HPP) Special Issue

The Journal of Proteome Research is preparing to publish its 10th annual special issue dedicated to highlighting the progress made on the HUPO Human Proteome Project (HPP). Since 2013, this series of special issues has documented incredibly important discoveries in the field through more than 250 articles that have collectively received more than 5,000 citations.

The editorial team organizing this year’s addition to the series invites you to submit a manuscript for consideration by October 15, 2022.

HPP Special Issue Editorial Team

Journal of Proteome Research Associate Editor Christopher M. Overall of The University of British Columbia will work on this year’s special issue with a team of guest editors:

  • Gilbert S. Omenn, University of Michigan
  • Robert Moritz, Institute for Systems Biology
  • Eric Deutsch, Institute for Systems Biology
  • Lydie Lane, Swiss Institute of Bioinformatics
  • Fernando Corrales, CSIC, Madrid
  • Haojie Lou, Fudan University

Thematic Priorities

For this special issue, the editorial team will consider research papers encompassing both the Chromosome-Centric Human Proteome Project (C-HPP) and the Biology and Disease Human Proteome Project (B/D-HPP), as well from the HPP Resource Pillars (Antibody, MS, Pathology, and Knowledgebase), and short definitive reports, submitted in the Letters format, on the discovery of a missing protein(s).

To be considered, the missing protein(s) must meet the HPP Data Interpretation Guidelines Version 3.0 and be cast in the context of the HPP and biological setting in which they were discovered.

The editorial team is particularly interested in receiving manuscripts that relate to one of these themes:

  • Completing the high-resolution draft of the human proteome with new strategies and results leading to confident identifications of neXtProt missing proteins (PE2 – 4) according to the C-HPP Guidelines v 3.0 or recent updates
  • Progress on the protein list of individual chromosomes and groups of chromosomes, annotating known proteins and their isoforms/proteoforms and/or credibly identifying missing proteins (PE2 – 4)
  • Annotating proteins and their isoforms/proteoforms and/or identifying missing proteins found in rare or under explored cells and tissues, and protein lists of human cell types as a step in creating a human cell proteome atlas
  • Produce and use “popular proteins” lists in B/D-HPP and contribute to the identification of missing proteins
  • Proteomic studies of proteoforms produced by proteolytic processing, PTMs, alternative splicing (ASV),
    coding non‐synonymous single nucleotide polymorphisms (cSNPs), or chromosome abnormalities
  • Use of targeted proteomics, especially SRM and MS‐SWATH, to extend chromosome‐based protein findings
  • New bioinformatic tools and approaches for annotating the human proteome
  • Biological mechanistic analyses inspired from proteomics data in diseases or biological processes
  • Biomarker discoveries based on the identification of novel ASVs, PTMs or cSNPs in proteomic studies
  • Studies using the Human Protein Atlas to identify missing proteins

Manuscript Requirements & Submission Deadline
Manuscripts must be submitted electronically through the ACS Paragon Plus Environment online submission system by October 15, 2022, to be considered for inclusion in this 10th special issue on the HUPO HPP.

Manuscripts that don’t meet these requirements will be returned without review:

HPP Special Issue Review and Publication Process

Editorial triage will determine whether manuscripts are appropriate for the HPP Special Issue and meet all of the above requirements. Nonconforming papers will be returned unreviewed. All relevant papers will go through full peer review.

As papers are accepted, they will be published online and available in time for HUPO 2022. Due to the publication schedule, only papers accepted by September 31, 2022, will be published in the December 2022 HPP Special Issue. Papers requiring more time for revision or falling outside of the scope of the special issue will be published in regular issues of the journal.

Nano Letters Seed Grants

Nano Letters and ACS Publications are excited to announce the inaugural Nano Letters Seed Grants competition for the best research proposal ideas from students globally. This opportunity is only open to later-stage graduate students (e.g., third year and beyond) who will be awarded US $2,500 to carry out the proposed work. The proposal must build on current expertise and should be high-risk, high-reward. Both fundamental and translational nanoscience proposals are welcome.

Update: The 2022 winners have been announced!
Meet the 2022 Nano Letters Seed Grants Winners

Proposal Overview and Evaluation

The Seed Grants proposal is limited to two pages in length and must include a title, research aims, proposed work, figures, references, and a short budget justification. A one-page CV is also required.

Proposals will be evaluated by Nano Letters Associate Editors in three equally-weighted categories:

  • Significance: Does the proposal address a significant problem or critical barrier to progress?
  • Innovation and Impact: Does the proposal present a creative, “out-of-the-box” scientific vision and solution and will the results have a positive impact on the scientific community?
  • Synergy with the Nano Letters mission

Regions & Deadlines

There will be a total of four awards, each highlighting a different region around the world. Each region has a separate submission form, which can be accessed by clicking the respective links below.

Note: Submission sites will only be open during the dates listed above.

Winning Proposals
Awardees will be notified after the submission deadline of the different regions. In addition to the honorarium, awardees will be asked to write a Viewpoint and speak at an upcoming Nano Letters symposium.

To access the appropriate submission form, please click on the links above which will be open during the relevant submission window.

Meet the 2022 Nano Letters Seed Grants Winners

If you have specific questions, please send them to Questions About Nano Letters Seed Grants.

Call for Papers: Special Focus Issue on Neurodegenerative Disease Research

Mass spectrometry has been a leading contributing technology applied to address biomedical research questions in neurodegenerative diseases, such as Alzheimer’s disease and Parkinson’s disease. This was highlighted by the recent ASMS/Asilomar Conference on Mass Spectrometry on “The Role of MS in Neurodegenerative Disease Research” (December 2021).

This Special Focus Issue from the Journal of the American Society for Mass Spectrometry will highlight mass spectrometry applications and novel methods for neurodegenerative disease research.

For readers, this Special Focus Issue will be an easily identifiable source of high-quality papers. For authors, it provides increased visibility for the latest mass spectrometry work in neurodegenerative disease research.

If you are doing work in this field, the Journal of the American Society for Mass Spectrometry editorial team invites you to submit a manuscript by November 30, 2022.

The Neurodegenerative Disease Research Special Focus Issue will be managed by Associate Editor Lingjun Li (University of Wisconsin-Madison).

Submit your manuscript for inclusion now

Author Instructions:

To submit your manuscript, please visit the Journal of the American Society for Mass Spectrometry website. Please follow the normal procedures for manuscript submission and when in the ACS Paragon Plus submission site, select the Special Focus Issue of “Neurodegenerative Disease Research.” All manuscripts will undergo rigorous peer review. For additional submission instructions, please see the Journal of the American Society for Mass Spectrometry Author Guidelines.

The deadline for submissions is November 30, 2022. Submit your manuscript now.

ACS Publications 2021 Year in Review

We sincerely thank you all, the members of our research community, for all that you did to help ACS journals remain the most trusted, most cited, and most read last year. We couldn’t have done it without you.

Please take a moment to view our highlights from the year.

Thank you again for your contributions to ACS Publications and all that you did to advance the chemical sciences in 2021.

Call for Papers: Molecular Magnets and Switchable Magnetic Materials

Molecular magnetism is a truly multidisciplinary field of research, and molecular magnetic materials have attracted much attention due to their potential applications, such as data storage devices, quantum computing, magnetic refrigerant, magnetic switches, and many more. Concerted efforts from synthetic and structural chemists, physicists, materials scientists, and theoreticians made possible incredible advances in this field in recent years.  

Notably, the design principles of these molecules and molecular materials often fail to correlate with the predicted or exhibited properties, and much room for understanding remains. This Virtual Special Issue of Crystal Growth & Design on “Molecular Magnets and Switchable Magnetic Materials” aims to assist in providing the latest updates and addressing the ongoing challenges. 

Topics in this special issue will primarily include, but are not limited to: 

  • Single-Molecule Magnets (SMMs) 
  • Single-Ion Magnets (SIMs) 
  • Single-Chain Magnets (SCMs) 
  • Spin-Crossover (SCO) and Related Phenomena 
  • Valence Tautomerism (VT) 
  • Spin Frustration 
  • Magneto-Caloric Effects (MCE) 
  • Stimuli-Responsive Molecular Magnetic Materials 
  • Magnetic Nanoparticles, Magnetic Metal-Organic Frameworks 
  • Magnetism in Organic Radicals 
  • Magnetic Exchanges in Multi-Metallic Complexes 

Submit your manuscript for consideration now 


  • Professor Jonathan W. Steed, Durham University (United Kingdom) 

Guest Editors: 

  • Professor Malcolm Halcrow, University of Leeds (United Kingdom) 
  • Professor Sanjit Konar, Indian Institute of Science Education and Research Bhopal (India) 
  • Professor Birgit Weber, University of Bayreuth (Germany) 
  • Professor Masahiro Yamashita, Tohoku University (Japan) and Nankai University (China)

Author Instructions: 

To submit your manuscript, visit the Crystal Growth & Design website. Please follow the procedures for manuscript submission and, in the ACS Paragon Plus submission site, select the special issue “Molecular Magnets and Switchable Magnetic Materials.” All manuscripts will undergo rigorous editorial peer review. For additional submission instructions, please see the Crystal Growth & Design Author Guidelines. 

The deadline for submissions is October 31, 2022. Submit your manuscript now.