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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

Call for Papers: Second Special Issue on Methods for Omics Research

The Journal of Proteome Research is planning to publish its second Special Issue on Methods for Omics Research, which will highlight novel and/or significantly updated methods for proteomics, metabolomics and omics studies in general. For readers, this Methods Special Issue will be an easily identifiable source of methods that have been specifically reviewed for their applicability and ease of adoption. For authors, the Special Issue provides visibility and wider adoption of methods in the proteomics community through dissemination and documentation. In addition, the Special Issue will become a convenient platform to publish significantly updated and improved methods that may have been already published.

The Methods Special Issue will be managed by Journal of Proteome Research Associate Editors Josh LaBaer and Meng-Qiu Dong and Guest Editor Laurence Florens and will cover all subdisciplines within the scope of Journal of Proteome Research.

We invite you to submit a manuscript by Dec 1, 2022 for inclusion in the 2023 Special Issue on Methods for Omics Research.

Scope

Authors must present either a complete description of a relevant novel method (“Research Article” submission) or a substantial and meaningful update of a previously published method (“Technical Note” submission). The focus of the paper should be on the unique functionality of the method. It should be clear to any reader what questions the method addresses and how it is used.

Demonstration of at least one example of an important application of the method should be included in the paper. Data generated to illustrate a method should be supported by an appropriate number of replicates and statistical analyses. In addition, there should be sufficient detail about the method to allow easy replication.

Data associated with demonstrating the method must be submitted to an appropriate repository at the time of submission, along with full access information to the data provided in the manuscript (dataset identifier(s), username, and password). For novel computational methods, software should be made executable, at a minimum, and preferably have source codes made available.

Instructions for Submission

Manuscripts must adhere to the guidelines available on the Information for Authors page for Journal of Proteome Research and the further details laid out in “Managing Expectations When Publishing Tools and Methods for Computational Proteomics” by Martens et al., and be submitted electronically through the ACS Paragon Plus portal. In ACS Paragon Plus, specify a manuscript type, and activate the special issue feature to designate the paper for Methods for Omics Research. In addition, include a statement in your cover letter that the paper is being submitted for the special issue. Provide names and contact information for at least four suggested reviewers who can meaningfully comment on the described method.

The deadline for submission of manuscripts for the 2023 Special Issue on Methods is Dec 1, 2022. Manuscripts will be screened for suitability for the Special Issue.

Learn More: Read the 2020 Special Issue on Methods for Omics Research, including the Editorial by Laurence Florens, Meng-Qui Dong, and Joshua LaBaer.

Call for Papers: Biomolecular Electrostatic Phenomena

The Journal of Physical Chemistry B (JPC B) will publish a Virtual Special Issue (VSI) on “Biomolecular Electrostatic Phenomena.” The VSI is led by Guest Editors Wei Yang (Florida State University) and Walter Rocchia (Istituto Italiano di Tecnologia). Together they encourage researchers to submit their new and unpublished work by June 30th, 2022.

Research areas of particular interest include:

  • Processes where electrostatics plays an important role in either Life or Material sciences.
  • Improvement of potential energy model for a better reproduction of subtle electrostatic effects.
  • Electrostatic treatment on mesoscale systems.
  • Experimental and theoretical methods to quantify electrostatic properties, such as titratable residue pKa and overall protein charge etc.
  • Methods for accelerating electrostatic calculation in either continuum models or particle-particle interacting systems.
  • Exploitation of electrostatic properties to realize new sensors or smart molecular machineries.

In conceiving this VSI, the Guest Editors were inspired by some recent exciting innovations and discoveries, including:

Electrostatic interactions are key in many processes inherent to biophysics and materials science. In the field of protein biochemistry, modulation of the charges on the amino acids, has important effects such as protein denaturation and triggering of signal transduction networks.

Typically, electrostatic potentials around biomolecules are computed from three-dimensional structures. Importantly, a new spectroscopic method was recently devised to experimentally determine electrostatic potentials near the molecular surfaces without using any structural information. Such experimental determination of electrostatic properties allows for direct examination of theoretical models and is a remarkable advance, with potential broad impacts on basic research and pharmaceutical development.

The past decade has also seen the development of various novel computational method developments or improvements to achieve better quantification of biomolecular processes in which electrostatic effects play a critical role.

Submission Instructions

The review process for all submissions for this VSI will be handled by JPC Executive Editor Pavel Jungwirth.

To ensure an unbiased peer-review process, the journal asks that you do not indicate within your manuscript that the submission is intended for the VSI. If you do, your manuscript will be returned for correction. Instead, when you submit your manuscript, please indicate this on your cover letter and note what part and section you feel will be the best fit. You can find a complete list of sections and other important information for authors in the JPC Author Guidelines.

As with all submissions to JPC, your manuscript should represent a rigorous scientific report of original research, as it will be peer-reviewed as a regular article. Manuscripts are expected to provide new physical insight and/or present new theoretical or computational methods of broad interest.

Contribute to this Virtual Special Issue

If you are unsure if your research is within the VSI’s scope or have other questions about submitting a manuscript to this VSI, please email JPC B Deputy Editor Marty Zanni’s office at zanni-office@jpc.acs.org .

Call for Papers: Third Special Issue on Software Tools and Resources

The Journal of Proteome Research is preparing to publish its Third Biennial Special Issue on Software Tools and Resources in January 2023.

Software tools and data resources are essential to research in all omics domains, including proteomics and metabolomics. The goal of this recurring special issue is to highlight the latest novel and significantly updated software tools, web applications, and databases scientists can use for data analysis and visualization in proteomics and related research.

For readers, this provides an easily identifiable source of tools specifically reviewed for their applicability and ease of adoption. For authors, this provides increased visibility and wider adoption of their tools within the proteomics community through dissemination and documentation.

The following team will lead the Special Issue:

They invite you to submit a manuscript by September 30, 2022.

What to Submit—Deadline: September 30, 2022

For inclusion in this special issue, authors must present either a complete description of a relevant novel tool, library, web application, or database (article) or a substantial and meaningful update of a previously published tool or resource (technical note). The full working tool or database must be available free-of-charge to editors and reviewers for evaluation at the time of manuscript submission.

Tools with a graphical or web browser interface are preferred, but the editors will also consider well-documented web service APIs or libraries of functional building blocks for custom data analysis pipelines.

Manuscript Requirements

Manuscripts must be submitted electronically through the ACS Paragon Plus Environment online submission system by September 30, 2022. Submissions must adhere to the appropriate Author Guidelines and the further details laid out in Martens et al., J. Proteome Res. 2015, 14(5):2002-4.

Authors, please:

  • Indicate in your cover letter that the manuscript is for the Special Issue on Software Tools and Resources and explain why you consider it suitable for this Special Issue.
  • Remember that the full working tool or database must be available free-of-charge to editors and reviewers for evaluation at the time of manuscript submission.
  • Be concise and focus the manuscript on the unique or novel functionality of the tool. It should be clear to any reader what problem the system addresses and how it is used.
  • For tools and libraries, use the table form to describe the input, operations, and output of each tool or function. A screenshot of the interface may be included if it has novel or unusual features.

Learn More: Read the 2021 Special Issue on Software Tools and Resources, including the Editorial by Susan Weintraub, Michael Hoopmann, and Magnus Palmblad.

Call for Papers: Antimicrobial Resistance in the Environment: Informing Policy and Practice to Prevent the Spread

Public health, particularly its environmental dimensions, is at the forefront of the public and scientific conscience during the current COVID-19 pandemic.  This moment is critical to ensuring preparedness against other public health threats, especially antimicrobial resistance (AMR). The United States Centers for Disease Control and Prevention estimates that the U.S. population is afflicted with 2.8 million antibiotic-resistant infections each year.  The O’Neill report, commissioned by the U.K. government, predicts that deaths due to AMR will surpass those due to cancer by 2050.

This Special Issue from Environmental Science & Technology will focus on contributions that advance new knowledge and address key knowledge gaps related to AMR in the environment. The issue will be led by Guest Editor Professor Amy Pruden of the Department of Civil & Environmental Engineering at Virginia Tech.

Relevant topics include:

  • Advanced wastewater and water reuse treatment technologies to reduce AMR.
  • Treatment of pharmaceutical manufacturing waste.
  • Assessment of on-farm strategies to reduce contamination of soil, water, and food products.
  • Novel AMR sensors and monitoring technologies and approaches.
  • Intersections of water sanitation and hygiene and AMR.
  • Assessment of the efficacy of environmentally-focused interventions.
  • Exposure and risk modeling of environmental AMR sources.

Relevant papers must demonstrably inform policy and practice in a manner that can help stem the spread of AMR while demonstrating robust experimental design and employing methods for assaying AMR that are comparable across studies.

Author Instructions:

To submit your manuscript, please visit the Environmental Science & Technology website. Please follow the normal procedures for manuscript submission, and when in the ACS Paragon Plus submission site, select the special issue of “Antimicrobial Resistance in the Environment: Informing Policy and Practice to Prevent the Spread.” All manuscripts will undergo rigorous peer review. For additional submission instructions, please see the Environmental Science & Technology Author Guidelines.

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

 

Call for Papers: Wastewater Surveillance and Community Pathogen Detection

Detection of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), in wastewater has the potential to be utilized as a valuable epidemiologic surveillance tool for tracking the spread and impact of COVID-19. Wastewater-based epidemiology (WBE) has gained attention in several countries including Australia, Spain, France, Singapore, U.S., Italy, Netherlands, Israel, Turkey, Japan, India, and China.

From epidemiological point of view, it is imperative to understand the effectiveness of vaccination and monitor the reemergence of COVID-19. This Special Issue from ACS ES&T Water on WBE and COVID-19 aims to collect insightful reviews and research articles on wastewater-based epidemiology- environmental surveillance, survival, and fate of SARS-CoV-2 and other enteric viruses in natural and engineered water systems.

Submit your manuscript for inclusion now.

Editor-in-Chief

  • Professor Shane Snyder, Nanyang Technological University

Guest Editors:

  • Samendra Sherchan, Associate Professor, Tulane University of Louisiana
  • Warish Ahmed, Senior Research Scientist, Commonwealth Scientific and Industrial Research Organisation (CSIRO)
  • Eiji Haramoto, Professor, Interdisciplinary Center for River Basin Environment, University of Yamanashi

Author Instructions:

To submit your manuscript, please visit the ACS ES&T Water website. Please follow the normal procedures for manuscript submission and when in the ACS Paragon Plus submission site, select the special issue of “Wastewater Surveillance and Community Pathogen Detection.” All manuscripts will undergo rigorous peer review. For additional submission instructions, please see the ACS ES&T Water Author Guidelines.

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

Introducing the Virtual Issue: George M. Bodner Festschrift

This Festschrift stands as a tribute to a scholar known as a giant in the field of chemical education. Welcome to the Festschrift to George M. Bodner, who was the Arthur E. Kelly Distinguished Professor of Chemistry at Purdue University.

Professor Bodner was born on March 8, 1946, in Rochester, NY. He graduated from SUNY Buffalo in 1969 with a B.S. in Chemistry and entered graduate school at Indiana University. He earned his Ph. D. in 1972 in inorganic and organic chemistry, and his early research interests focused on the application of C-13 NMR spectroscopy to studies of structure and bonding in organometallic complexes.

His career began at Illinois (1972-75), followed by Stephens College (1975-77). Then he joined the faculty at Purdue in 1977, becoming the Arthur E. Kelly Distinguished Professor of Chemistry in 2000. Professor Bodner and Dudley Herron created one of the first graduate programs in chemical education in the nation. With more than 100 Ph.D. graduates, the program became the premiere program that chemistry departments emulated.

His career at Purdue was highlighted by enormous accomplishments and contributions in teaching, research, service, and engagement. He taught thousands of students in our general chemistry program, teaching CHM 11500-11600 for many years. Professor Bodner was tireless in his research and support of chemical education, having mentored more than 50 masters and doctoral students. He and his students developed materials to improve undergraduate instruction, conducted groundbreaking research on how students learn undergraduate chemistry, and delved into the history and philosophy of science. He published more than 150 papers, over 50 book chapters, laboratory manuals, and books, including a general chemistry textbook titled Chemistry: An Experimental Science, with colleague Harry Pardue. His 1986 paper in theJournal of Chemical Education, Constructivism: A Theory of Knowledge, is among the all-time most cited papers in chemistry education approaching 2,000 citations.

Professor Bodner served on the ACS Board of Directors 2011-2016 and numerous ACS committees. He spearheaded the society’s formation of the American Association of Chemistry Teachers (AACT), where he convinced the ACS Board to fund the creation of a new organization run by K-12 teachers of chemistry for K-12 teachers of chemistry. Today the AACT has grown to more than 4,000 members. He helped organize the ACS Division of Chemical Education’s Biennial Conference on Chemical Education when it was at Purdue in both 1988 and 2006. Finally, he served in the chair succession for the ACS Division of Chemical Education, 2011-2013.

Professor Bodner is the only person to have won the ACS Pimentel Award in Chemical Education (2003), the Royal Society of Chemistry Nyholm Prize for Education (2003), the James Flack Norris Award for Outstanding Achievement in the Teaching of Chemistry sponsored by the ACS Northeastern Section (2010), and the ACS Award for the Achievement in Research for the Teaching and Learning of Chemistry (2018). He was a Fellow of both the ACS and the RSC. He received the highest honor Purdue confers onto a member of the faculty when he received the Morrill Award in 2013. This award recognizes Purdue faculty who best exhibit excellence in, and synergies among, all three dimensions of the professoriate – teaching, research, and service.

Professor Bodner passed away on March 19, 2021, at the age of 75, leaving an enormous impact on the field of chemical education as a mentor, researcher, and pioneer. Across his career he guided and published work that grounded the field theoretically and influenced researchers for decades. He helped chemists understand how students approached solving chemistry problems and guided the foundational studies centered on student understanding of organic chemistry, harkening back to his graduate school training in organic chemistry.

This Festschrift collects articles from ACS Publications that are aligned with the following themes:

  1. Constructivism as a lens for understanding student learning
  2. Student conceptualization of organic chemistry
  3. Understanding student approaches to problems solving
  4. Visualization and spatial reasoning skills in chemistry education
  5. Conceptual Understanding of Chemistry.

Each theme contains articles authored by Professor Bodner, his graduate students, and/or his collaborators, as well as more recent articles that speak to the powerful legacy of his work in the field. The themes exhibit complementarity and overlap with each other, characterizing the synergy and significance of Professor Bodner’s work. Indeed, it is difficult to confine his influence to five themes, given the numerous ways his work shaped and inspired the field. We hope that you can hear his booming voice as you read the words he carefully crafted in his articles and be inspired by his pioneering legacy.

Constructivism as a Lens for Understanding Student Learning

Constructivism: A theory of knowledge
George M. Bodner
Journal of Chemical Education 1986 63 (10), 873
DOI: 10.1021/ed063p873
***
The Many Forms of Constructivism
George Bodner, Michael Klobuchar, and David Geelan
Journal of Chemical Education 2001 78 (8), 1107
DOI: 10.1021/ed078p1107.4
***
Chemistry Education and the Post-constructivist Perspective of Bruno Latour
Donald. J. Wink
Journal of Chemical Education 2020 97 (12), 4268-4275
DOI: 10.1021/acs.jchemed.0c00263
***
Development of the Reaction Coordinate Diagram Inventory: Measuring Student Thinking and Confidence
Molly B. Atkinson, Maia Popova, Michael Croisant, Daniel J. Reed, and Stacey Lowery Bretz
Journal of Chemical Education 2020 97 (7), 1841-1851
DOI: 10.1021/acs.jchemed.9b01186
***
Construction by De-construction
Gautam Bhattacharyya
Journal of Chemical Education 2019 96 (7), 1294-1297
DOI: 10.1021/acs.jchemed.8b00579
***
Peer-Led Team Learning in General Chemistry I: Interactions with Identity, Academic Preparation, and a Course-Based Intervention
Regina F. Frey, Angela Fink, Michael J. Cahill, Mark A. McDaniel, and Erin D. Solomon
Journal of Chemical Education 2018 95 (12), 2103-2113
DOI: 10.1021/acs.jchemed.8b00375
***
Zero-Order Chemical Kinetics as a Context to Investigate Student Understanding of Catalysts and Half-Life
Kinsey Bain, Jon-Marc G. Rodriguez, Marcy H. Towns,
Journal of Chemical Education 2018 95 (5), 716-725
DOI: 10.1021/acs.jchemed.7b00974
***
Preparation for College General Chemistry: More than Just a Matter of Content Knowledge Acquisition
Mark S. Cracolice and Brittany D. Busby
Journal of Chemical Education 2015 92 (11), 1790-1797
DOI: 10.1021/acs.jchemed.5b00146
***
Constructivist Frameworks in Chemistry Education and the Problem of the “Thumb in the Eye”
Donald J. Wink
Journal of Chemical Education 2014 91 (5), 617-622
DOI: 10.1021/ed400739b

Student Conceptualization of Organic Reactions

“It Gets Me to the Product”: How Students Propose Organic Mechanisms
Gautam Bhattacharyya and George M. Bodner
Journal of Chemical Education 2005 82 (9), 1402
DOI: 10.1021/ed082p1402
***
The Shrewd Guess: Can a Software System Assist Students in Hypothesis-Driven Learning for Organic Chemistry?
Julia E. Winter, Joseph Engalan, Sarah E. Wegwerth, Gianna J. Manchester, Michael T. Wentzel, Michael J. Evans, James E. Kabrhel, and Lawrence J. Yee
Journal of Chemical Education 2020 97 (12), 4520-4526
DOI: 10.1021/acs.jchemed.0c00246
***
Thinking in Alternatives—A Task Design for Challenging Students’ Problem-Solving Approaches in Organic Chemistry
Leonie Lieber and Nicole Graulich
Journal of Chemical Education 2020 97 (10), 3731-3738
DOI: 10.1021/acs.jchemed.0c00248
***
Using the Research Literature to Develop an Adaptive Intervention to Improve Student Explanations of an SN1 Reaction Mechanism
Amber J. Dood, John C. Dood, Daniel Cruz-Ramírez de Arellano, Kimberly B. Fields, and Jeffrey R. Raker
Journal of Chemical Education 2020 97 (10), 3551-3562
DOI: 10.1021/acs.jchemed.0c00569
***
Exploring Student Thinking about Addition Reactions
Solaire A. Finkenstaedt-Quinn, Field M. Watts, Michael N. Petterson, Sabrina R. Archer, Emma P. Snyder-White, and Ginger V. Shultz
Journal of Chemical Education 2020 97 (7), 1852-1862
DOI: 10.1021/acs.jchemed.0c00141
***
Arrows on the Page Are Not a Good Gauge: Evidence for the Importance of Causal Mechanistic Explanations about Nucleophilic Substitution in Organic Chemistry
Olivia M. Crandell, Macy A. Lockhart, and Melanie M. Cooper
Journal of Chemical Education 2020 97 (2), 313-327
DOI: 10.1021/acs.jchemed.9b00815
***
Organic Chemistry Students’ Understandings of What Makes a Good Leaving Group
Maia Popova and Stacey Lowery Bretz
Journal of Chemical Education 2018 95 (7), 1094-1101
DOI: 10.1021/acs.jchemed.8b00198
***
A Comparison of How Undergraduates, Graduate Students, and Professors Organize Organic Chemistry Reactions
Kelli R. Galloway, Min Wah Leung, and Alison B. Flynn
Journal of Chemical Education 2018 95 (3), 355-365
DOI: 10.1021/acs.jchemed.7b00743
***
Evaluation of a Flipped, Large-Enrollment Organic Chemistry Course on Student Attitude and Achievement
Suazette R. Mooring, Chloe E. Mitchell, and Nikita L. Burrows
Journal of Chemical Education 2016 93 (12), 1972-1983
DOI: 10.1021/acs.jchemed.6b00367

Understanding Student Approaches to Problem Solving

Using Students’ Representations Constructed during Problem Solving To Infer Conceptual Understanding
Daniel Domin and George Bodner
Journal of Chemical Education 2012 89 (7), 837-843
DOI: 10.1021/ed1006037
***
Developing Expertise in 1H NMR Spectral Interpretation
Megan C. Connor, Benjamin H. Glass, Solaire A. Finkenstaedt-Quinn, and Ginger V. Shultz
The Journal of Organic Chemistry 2021 86 (2), 1385-1395
DOI: 10.1021/acs.joc.0c01398
***
Introducing Molecular Structural Analysis Using a Guided Systematic Approach Combined with an Interactive Multiplatform Web Application
Armélinda Agnello, Stéphane Vanberg, Céline Tonus, Bernard Boigelot, Laurent Leduc, Christian Damblon, and Jean-François Focant
Journal of Chemical Education 2020 97 (12), 4330-4338
DOI: 10.1021/acs.jchemed.0c00329
***
NMR Spectra through the Eyes of a Student: Eye Tracking Applied to NMR Items
Joseph J. Topczewski, Anna M. Topczewski, Hui Tang, Lisa K. Kendhammer, and Norbert J. Pienta
Journal of Chemical Education 2017 94 (1), 29-37
DOI: 10.1021/acs.jchemed.6b00528
***
Evaluating the Content and Response Process Validity of Data from the Chemical Concepts Inventory
Paul Schwartz and Jack Barbera
Journal of Chemical Education 2014 91 (5), 630-640
DOI: 10.1021/ed400716p
***
Concept Learning versus Problem Solving: Evaluating a Threat to the Validity of a Particulate Gas Law Question
Michael J. Sanger, C. Kevin Vaughn, and David A. Binkley
Journal of Chemical Education 2013 90 (6), 700-709
DOI: 10.1021/ed200809a
***

Visualization and Spatial Reasoning Skills in Chemistry Education

A Review of Spatial Ability Literature, Its Connection to Chemistry, and Implications for Instruction
Marissa Harle and Marcy Towns,
Journal of Chemical Education 2011 88 (3), 351-360
DOI: 10.1021/ed900003n
***
Interactive 3D Visualization of Chemical Structure Diagrams Embedded in Text to Aid Spatial Learning Process of Students
Amal Fatemah, Shahzad Rasool, and Uzma Habib
Journal of Chemical Education 2020 97 (4), 992-1000
DOI: 10.1021/acs.jchemed.9b00690
***
Promotion of Spatial Skills in Chemistry and Biochemistry Education at the College Level
Maria Oliver-Hoyo and Melissa A. Babilonia-Rosa
Journal of Chemical Education 2017 94 (8), 996-1006
DOI: 10.1021/acs.jchemed.7b00094
***
The Role of Spatial Ability and Strategy Preference for Spatial Problem Solving in Organic Chemistry
Mike Stieff, Minjung Ryu, Bonnie Dixon, and Mary Hegarty
Journal of Chemical Education 2012 89 (7), 854-859
DOI: 10.1021/ed200071d
***
The Effect of Viewing Order of Macroscopic and Particulate Visualizations on Students’ Particulate Explanations
Vickie M. Williamson, Sarah M. Lane, Travis Gilbreath, Roy Tasker, Guy Ashkenazi, Kenneth C. Williamson, and Ronald D. Macfarlane
Journal of Chemical Education 2012 89 (8), 979-987
DOI: 10.1021/ed100828x
***
Using Molecular Representations To Aid Student Understanding of Stereochemical Concepts
Michael Abraham, Valsamma Varghese, and Hui Tang
Journal of Chemical Education 2010 87 (12), 1425-1429
DOI: 10.1021/ed100497f
***
Investigating Students’ Ability To Transfer Ideas Learned from Molecular Animations of the Dissolution Process
Resa M. Kelly and Loretta L. Jones
Journal of Chemical Education 2008 85 (2), 303
DOI: 10.1021/ed085p303

Conceptual Understanding of Chemistry

I Have Found You An Argument: The Conceptual Knowledge of Beginning Chemistry Graduate Students
George M. Bodner
Journal of Chemical Education 1991 68 (5), 385
DOI: 10.1021/ed068p385
***
Use of Simulations and Screencasts to Increase Student Understanding of Energy Concepts in Bonding
Jessica R. VandenPlas, Deborah G. Herrington, Alec D. Shrode, and Ryan D. Sweeder
Journal of Chemical Education 2021 98 (3), 730-744
DOI: 10.1021/acs.jchemed.0c00470
***
Exploring Students’ Understanding of Resonance and Its Relationship to Instruction
Dihua Xue and Marilyne Stains
Journal of Chemical Education 2020 97 (4), 894-902
DOI: 10.1021/acs.jchemed.0c00066
***
Thinking Processes Associated with Undergraduate Chemistry Students’ Success at Applying a Molecular-Level Model in a New Context
Melonie A. Teichert, Lydia T. Tien, Lisa Dysleski, and Dawn Rickey
Journal of Chemical Education 2017 94 (9), 1195-1208
DOI: 10.1021/acs.jchemed.6b00762
***
Core Ideas and Topics: Building Up or Drilling Down?
Melanie M. Cooper, Lynmarie A. Posey, and Sonia M. Underwood
Journal of Chemical Education 2017 94 (5), 541-548
DOI: 10.1021/acs.jchemed.6b00900
***
Thinking Like a Chemist: Development of a Chemistry Card-Sorting Task To Probe Conceptual Expertise
Felicia E. Krieter, Ryan W. Julius, Kimberly D. Tanner, Seth D. Bush, and Gregory E. Scott
Journal of Chemical Education 2016 93 (5), 811-820
DOI: 10.1021/acs.jchemed.5b00992
***
Defining Conceptual Understanding in General Chemistry
Thomas A. Holme, Cynthia J. Luxford, and Alexandra Brandriet
Journal of Chemical Education 2015 92 (9), 1477-1483
DOI: 10.1021/acs.jchemed.5b00218

Special Issue on Persistent Organic Pollutants Recognizes Professor Kevin C. Jones

Professor Kevin C. Jones of Lancaster University is the recipient of the 2020 American Chemical Society Award for Creative Advances in Environmental Science and Technology, making him the award’s 40th recipient. The award was to be presented at the ACS Spring 2020 National Meeting & Exposition in Philadelphia. However, that meeting was canceled in response to the impending coronavirus pandemic to protect the health of participants and staff.

As a result, a Special Issue on persistent organic pollutants (POPs), entitled “POPs on the Global Scale: Sources, Distribution, Processes, and Lessons Learned for Chemicals Management,” was published in Environmental Science & Technology. This issue recognizes the contributions of Professor Jones to environmental organic chemistry in lieu of the award symposium.

As one of the world’s leading environmental organic chemists, Professor Jones’ research focuses on the sources, fates, and effects of environmental pollution. His research addresses some fundamental questions encompassing persistent organic chemicals (pesticides, industrial chemicals, waste products, etc.) in fundamental, practical, and real-world implications.

I caught up with Professor Jones to learn more about his career so far.

What drew you to environmental organic chemistry?

When I was at school, I became passionate about the damage we are doing to our planet by polluting it. This made me want to study environmental science as a degree. I then had the chance to do a Ph.D., which was actually on heavy metals in the environment, investigating linkages and transfers of pollutants between environmental compartments. Once I was offered my faculty position at Lancaster, I had the chance to think about possible directions for an independent line of research. I attended a Society of Environmental Toxicology and Chemistry (SETAC) conference in North America and was captivated by the work going on investigating POPs in the Great Lakes of North America and in the Arctic. I was fascinated by the interconnectivity of environmental systems. The field seemed integrated and collaborative, compared to what I had experienced previously, and I think these things – not just the science area – drew me in.

What were the biggest challenges for you in developing a research career?

I started a faculty position very young – aged 25. Lancaster had no other staff working in the areas I wanted to develop. So I had lots of early challenges in finding my way around university systems, juggling teaching and research, learning about funding, getting the resources to set up a lab, and developing the confidence to approach potential collaborators and funders. Looking back now, I can see that it was all a rapid and steep learning curve. Luckily, I had chosen an exciting and productive area, and I was determined to make things work out.

What do you consider some of the most important highlights from your career so far?

I could talk about key research findings or papers, but I actually get the most enjoyment from working with enthusiastic and committed students and international scientists, helping them get their careers up and running, and encouraging their passion and commitment. I have been lucky to supervise nearly 100 Ph.D. students through my career so far, and a large proportion of those have gone on to work in the discipline – in universities, institutes, companies, and organizations around the world. It is extremely fulfilling to know their skills are needed and making a contribution. I have also had many international links, projects, and collaborations, which have been great fun, important learning and life experiences, and a way in which the influence of our work can be seen.

What motivates you to be a researcher in this field of environmental science & technology?

A major motivation is to see that the environment has become part of mainstream thinking in society. Further progression is still urgently needed, of course. Another is the sense of wonder and excitement one gets from studying the natural world and trying to understand those processes better.  A third is the desire to help and facilitate others, as mentioned above.

What are the major challenges in this area, and what type of work can we look forward to seeing from you in the future?

In very general terms, I think we now have a good understanding of how chemicals behave in the environment. We know much less about their effects at low doses, and research will continue to be active on that. However, the broader challenges – as discussed in my article in the Special Issue – are how to make informed decisions about the risks they pose and to reduce society’s unsustainable consumption and reliance on chemicals.

Read the Special Issue.

Explore articles published by Professor Kevin C. Jones in ACS Publications journals.

***

Persistent Organic Pollutants (POPs) and Related Chemicals in the Global Environment: Some Personal Reflections
Environ. Sci. Technol. 2021, 55, 14, 9400–9412
DOI: 10.1021/acs.est.0c08093

***

Use of the Dynamic Technique DGT to Determine the Labile Pool Size and Kinetic Resupply of Pesticides in Soils and Sediments
Environ. Sci. Technol. 2021, 55, 14, 9591–9600
DOI: 10.1021/acs.est.1c01354

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Development and Applications of Novel DGT Passive Samplers for Measuring 12 Per- and Polyfluoroalkyl Substances in Natural Waters and Wastewaters
Environ. Sci. Technol. 2021, 55, 14, 9548–9556
DOI: 10.1021/acs.est.0c08092

Special Issue: Transformative Inorganic Nanocrystals

Accounts of Chemical Research is a popular venue for concise reports on focused topics in which the authors are world experts. It is perfect for readers wanting to be broadly educated about current research frontiers in chemistry and related sciences. One of the journal’s most popular features is its Special Issues.

Recently, the journal published the “Transformative Inorganic Nanocrystals,” Special Issue which is, “meant to be just the beginning of a comprehensive understanding of these materials,” according to the guest editors. The issue covers aspects including anion and cation exchange reactions, and how they can be controlled to produce a wide variety of multicomponent nanocrystals. It also examines ultrasmall clusters and describes how transformations taking place in metal halide nanocrystals can be sometimes unified under a scheme of cation framework preservation, among other pertinent and related topics.

We met with Professor Liberato Manna, one of the guest editors, via Zoom to discuss nanocrystals, what makes them transformative, and why you should check out the issue. We also asked him about current projects in his lab. Watch the interview below:

Accounts of Chemical Research Journal Club

Join us on Tuesday, July 27 at 10:00 AM ET for the Accounts of Chemical Research Journal Club. This month we will be presenting and discussing the Transformative Inorganic Nanocrystals Special Issue. Speakers include Professor Manna as well as authors Raymond Schaak, Sara Bals, and Raffaella Buonsanti. The event is hosted by Associate Editor Jinwoo Cheon. Join us!

Call for Papers: Computational Advances in Protein Engineering and Enzyme Design

The Journal of Physical Chemistry B (JPC B) will publish a Virtual Special Issue (VSI) on “Computational Advances in Protein Engineering and Enzyme Design.” The VSI will be led by Guest Editors Professor Lynn Kamerlin of Uppsala University and Professor Etienne Derat of Sorbonne University. Together they encourage researchers to submit their new and unpublished work by Sept 15, 2021.

Research areas of particular interest include:

  • Enzymology
  • computational biochemistry
  • in silico protein design
  • bioinformatics
  • protein engineering

In conceiving this Virtual Special Issue, the Guest Editors were inspired by some recent exciting innovations and discoveries, including:

Enzymes are among the most complicated molecular objects and it was long thought it would be impossible to conceive a functional enzyme starting from scratch. Using natural enzymes to perform interesting chemical transformations has been feasible for a long time, but was historically limited to a range of specific reactions like alcohol oxidation. Extending the scope of unnatural enzymatic reactions was therefore a primary goal. Here, several ideas have been developed over the recent years: either using existing enzymes and extending their capabilities by exploiting their promiscuity, or adapting/adjusting a known active site to perform a new reaction. But, a more exciting challenge would be to develop ex nihilo an enzyme to catalyze a specific and new reaction. Here, computation is playing an increasingly important role, whether through identifying ancestral scaffolds that can be used as starting points for new enzyme engineering efforts, exploiting conformational dynamics for enzyme engineering using computational tools, exploiting machine learning approaches in enzyme design, or an explosion of online tools and web servers that can simplify the engineering process. The field is expanding and maturing rapidly, and taking on many new and different directions. The goal of this special issue will be to highlight computational advances in protein engineering and enzyme design, focusing on both methodology development and applications, and we welcome research articles or reviews from all broadly defined areas of this discipline.

Some articles already published as part of the VSI include:

Exploring the Minimum-Energy Pathways and Free-Energy Profiles of Enzymatic Reactions with QM/MM Calculations
J. Phys. Chem. B 2021, 125, 18, 4701–4713
DOI: 10.1021/acs.jpcb.1c01862

Introduction of a Glycine Linker Connecting the Heavy and Light Chains in Synthetic Cardosin B-Derived Rennet Changes the Specificity of Subpocket S3′
J. Phys. Chem. B 2021, 125, 17, 4368–4374
DOI: 10.1021/acs.jpcb.1c01826

Combined MD and QM/MM Investigations of Hydride Reduction of 5α-Dihydrotestosterone Catalyzed by Human 3α-Hydroxysteroid Dehydrogenase Type 3: Importance of Noncovalent Interactions
J. Phys. Chem. B 2021, 125, 19, 4998–5008
DOI: 10.1021/acs.jpcb.1c01751

Submission Instructions

The review process for all submissions for this VSI will be handled by JPC Senior Editor Benoit Roux.

To ensure an unbiased peer-review process, the journal asks that you do not indicate within your manuscript that the submission is intended for the VSI. If you do, your manuscript will be returned for correction. Instead, when you submit your manuscript, please indicate this on your cover letter and note what part and section you feel will be the best fit. You can find a complete list of sections and other important information for authors in the JPC Author Guidelines.

As with all submissions to JPC, your manuscript should represent a rigorous scientific report of original research, as it will be peer-reviewed as a regular article. Manuscripts are expected to provide new physical insight and/or present new theoretical or computational methods of broad interest.

Contribute to this Virtual Special Issue

If you are unsure if your research is within the VSI’s scope or have other questions about submitting a manuscript to this VSI, please email JPC B Deputy Editor Martin Zanni’s office at zanni-office@jpc.acs.org.