Acs Author Guide

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December 15, 2018
Scope of the Journal
Manuscript Types
ACS Publishing Center
Manuscript Preparation
Review Ready Submission
Document Templates and Format
Acceptable Software, File Designations, and TeX/LaTeX
Cover Letter
Manuscript Text Components
Supporting Information
Data Requirements
Language and Editing Services
Preparing Graphics
Figure and Illustration Services
Preparing for Submission
Prior Publication Policy
Editorial Policies
Providing Potential Reviewer Names
Manuscript Transfer
Production and Publication
Proofs via ACS Direct Correct
Publication Date and Patent Dates
JAMs
ASAP Publication
Post-Publication Policies
Sharing Your Published Article
Appendix 1: Preparing for Submission
Ethical Guidelines | Safety Considerations | Conflict of Interest Disclosures | Plagiarism | Author List and
Coauthor Notification | ORCID | Copyright and Permissions | Funder Reporting Requirement | Open
Access Compliance
Appendix 2: Preparing Graphics
Resolution | Size | Color | Types of Graphics | TOC/Abstract Graphic | Figures | Charts | Tables |
Schemes | Chemical Structures | Cover Art | WEO
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SCOPE OF THE JOURNAL
ACS Combinatorial Science will publish original research describing the development and use of
combinatorial, high-throughput, and related techniques in chemistry, materials science, analytical
science, and biology. It welcomes submissions from a broad spectrum of scientific endeavor involving
the discovery of functional molecules or systems using combinatorial techniques, molecular libraries,
and evolving systems and the development of tools for speeding and understanding such discoveries.
Examples include molecular synthesis and screening, biological and bio-inspired development of
molecular function, molecular systems exhibiting feedback and evolution, combinatorial synthesis and
testing of polymers and materials, parallel operations and engineering, robotics and automation, and
analytical and computational methods, among many others.
The journal is dedicated to the proposition that combinatorial and evolutionary molecular science
represents an emerging new discipline, while providing powerful tools for the further development of its
contributing fields. Areas of interest include but are not limited to:
Chemistry
Efficient synthetic techniques for application to combinatorial and diversity-oriented chemistry
Hit-to-lead high throughput chemistry
Techniques for the meaningful screening of combinatorial libraries for biological activity,
including the development of signal-generating probes, in vitro and cell-based assays, and
instrumentation
Combinatorial development of catalysts
Combinatorial chemistry of specialized molecular classes, including natural products,
oligosaccharides, lipids, dyes, and inorganic and organometallic compounds
Combinatorial methods as applied to green chemistry and sustainable synthesis
Solid-phase synthesis, solid-supported reagents, and resin capture methodologies
Theoretical and computational methods for designing and interpreting combinatorial
experiments; methods of multivariate optimization
Functional molecules to emerge from the above techniques
Materials Science
Combinatorial methods for functional materials discovery, including synthesis and testing of
polymers, resins, crosslinked materials, soft materials, inorganic and ceramic materials, self-
assembled structures, and others
Combinatorial engineering of surfaces and interfacial phenomena
Combinatorial development of heterogeneous catalysts
Combinatorial methods and techniques for biomaterial design and discovery
Theoretical and computational methods for design and interpretation of combinatorial
materials experiments
Functional molecules to emerge from the above techniques, including applications of
combinatorial materials synthesis to biology, biochemistry, chemistry, catalysis, and other fields.
Examples include energy harvesting and storage, filtration, wound healing and tissue
replacement, stem cell cultivation and differentiation, antimicrobial activity, biodegradability,
selective binding interactions, catalytic activity and enantioselectivity, and many others.
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Biological Molecules and Methods
Application of combinatorial techniques to the synthesis and evaluation of small biomolecules,
such as peptides, oligonucleotides, and oligosaccharides.
Development and use of biomolecule arrays, such as with polynucleotides, proteins, and
glycans.
High-throughput methodologies in biomolecular screening and biosensors
High-throughput methodologies, tools, and technologies relating to gene expression
information including RNA interference, transcriptional and translational regulation, and
epigenetic silencing and activation.
Unnatural amino acids and nucleotide bases in discovery of molecular function
Directed Evolution of Molecular Function
Phage display, ribosome display, and related techniques for in vitro evolution of peptides and
proteins
SELEX and related techniques for in vitro evolution of oligonucleotides and nucleic acids
Two- and three-hybrid techniques and related methods for cell-based discovery of molecular
function.
Riboswitches and riboswitch-based methods for in vivo molecular evolution
Organism-based evolution of molecular function, such as in bacterial colonies and virus
populations
Robotics and Microfluidic Technologies
Technologies for synthesis and screening on the micro and nano-scale
Chemical and biological micro/nanoreactors and fluidic devices for chemical synthesis,
Lab-on-chip and microarray-based technologies
Robotics and other automation to enhance screening of libraries
Technologies for high throughput purification and analysis
Theoretical and Computational Tools
Molecular informatics as applied to library analysis
Theoretical aspects of library creation and optimization
For more information, please visit “About the Journal”.
MANUSCRIPT TYPES
ACS Combinatorial Science is a print and online publication that publishes Research Articles, Letters
Reviews, Perspectives, Accounts, and Technology Notes. A description of each manuscript type and its
key features follows, followed by a summary table.
Articles. Concise, yet comprehensive, original research presenting an advance of immediate, broad, and
lasting impact. Articles are peer-reviewed and contain an unreferenced abstract of 250 words or fewer.
Abstracts should be informative, as opposed to just indicative, and briefly state the purpose of the
research, principal results, and major conclusions, without abbreviations or acronyms unless essential. A
referenced introduction should set the work in context. Articles include the following headed sections:
Introduction, combined Results and Discussion, Experimental Procedures, Author Information,
Acknowledgments, Abbreviations and References. The first three may contain subheadings to promote
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clarity. In general, Articles include up to 10 display items (figures/tables/schemes), embedded with the
text for easier reading in the review process. Incisive referencing is important, and authors are
encouraged to be complete without being excessive in their citations. Supporting Information may be
included. Sufficient experimental details should be provided to allow others to reproduce the findings
presented. Articles include a graphical Table of Contents entry/Abstract graphic consisting of a colorful
figure representing the topic of the Article.
Letters. Short reports of original research focused on an individual finding of significance to the field.
Letters are peer-reviewed and begin with an unreferenced abstract of 150 words or fewer. Abstracts
should be informative, as opposed to just indicative, and briefly state the purpose of the research,
principal results, and major conclusions, without abbreviations or acronyms unless essential. Letters
include unheaded sections for the Introduction and combined Results and Discussion and headed
sections for the Abstract, Experimental Procedures, Author Information, Acknowledgments,
Abbreviations and References. It is recommended that most procedural details be placed in Supporting
Information. Sufficient experimental details should be provided to allow others to reproduce the
findings presented. Letters should be approximately 3500 words or less in length (4 journal), including
the abstract, body text, methods, references, tables, graphics/artwork, and figure/scheme legends.
Letters typically contain 46 display items (figures/tables/schemes), embedded with the text for easier
reading in the review process, and no more than 30 references. Letters must be accompanied by a Table
of Contents (TOC)/Abstract graphic consisting of a colorful figure representing the topic of the Letter.
Reviews. Comprehensive and critical summaries of published scientific papers describing work on a
single research topic, either completely if new or infrequently reviewed, or covering a specific time
range if the subject is more popular. Reviews are peer-reviewed and contain an unreferenced abstract
of 250 words or less. A good review critically evaluates existing work, provides a logical organization,
and makes the material more easily available to those not expert in the area through clear text and
figures. Extensive referencing is encouraged, as is the use of graphics to illustrate key concepts. All
display items (figures, tables, schemes) should be embedded with the text for easier reading in the
review process. A graphical Table of Contents entry/Abstract graphic consisting of a colorful figure
representing the topic of the Review should also be included. Authors may choose to divide the review
into headed sections for clarity. The journal recommends that authors define key words used in the
review and key concepts in separate textboxes. Potential authors are strongly encouraged to seek the
advice of the Editor prior to initiating work on a Review for the journal. We encourage authors to
include an internal table of contents at the beginning of the Review.
Perspectives. Summaries of published scientific papers describing work on a single research subfield.
Authors of Perspectives will choose published work felt to be of great importance and editorialize about
the significance of each paper. Perspectives are meant to provide context for rapidly developing fields
and encourage interest in new genres or disciplines. Because combinatorial science affects so many
diverse areas, Perspectives can have a strong impact on our readership. Perspectives are peer-reviewed
and start with an unreferenced abstract of 250 words or less. They should be approximately 5000 words
or less in length (6 journal pages), including the abstract, body text, references, tables, graphics/artwork,
and figure/scheme legends. All display items (figures, tables, schemes) should be embedded with the
text for easier reading in the review process. However, prior to acceptance, you will be required to
upload figures as individual high resolution images (see below for more details). Authors will have
significant latitude in the organization of the manuscript to promote clarity. Potential authors are
strongly encouraged to seek the advice of the Editor prior to initiating work on a Perspective for the
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journal. Perspectives must be accompanied by a Table of Contents (TOC)/Abstract graphic consisting of a
colorful figure representing the topic of the Perspective.
Accounts. Summaries of the work of a single Principal Investigator (or collaborating investigators)
describing their work in one research area. Accounts are peer-reviewed and contain an unreferenced
abstract of 250 words or less. A good account provides a more personal perspective and presents the
most important motivations for, and lessons derived from, the body of work being described. Logical
organization and liberal use of graphical material, both designed to make the material more easily
accessible to non-experts, is required. All display items (figures, tables, schemes) should be embedded
with the text for easier reading in the review process. While most references in an Account will be to the
author’s own published papers, authors are encouraged to include references to other key papers that
help to place the work described into context. Include a graphical Table of Contents entry/Abstract
graphic consisting of a colorful figure that represents the topic of the Account. Authors may choose to
divide the account into sections preceded by headings. Potential authors are strongly encouraged to
seek the advice of the Editor prior to initiating work on an Account for the journal.
Technology Notes. Short descriptive manuscripts outlining new or improved “toolbox” innovations in
any of a wide variety of technologies that impact modern combinatorial science. These include high-
throughput/high-content screening, robotics, microfluidics, structure- and fragment-based drug design,
parallel synthesis, genomic manipulation and analysis, protein expression and analysis, parallel or
evolutionary biological screening methods, cell sorting techniques, and many others. Comparisons of the
reported advance to alternative known methods, techniques, or instrumentation are strongly
encouraged. Technology Notes are peer-reviewed and begin with an unreferenced abstract of less than
150 words. Abstracts should briefly state the technological innovation and the major advancement over
existing methods, without excessive abbreviations or acronyms. The format is identical to that of a
Letter (see above). Supporting Information is encouraged and may contain technical details and
experimental procedures. Technology Notes should be approximately 3500 words or less in length (no
more than 6 journal pages), including the abstract, body text, methods, references, and figure/scheme
legends. Technology Notes typically contain 46 display items (figures/tables/schemes), embedded with
the text for easier reading in the review process, and no more than 30 references. Technology Notes
must be accompanied by a Table of Contents/Abstract graphic as part of the manuscript.
Article Type
Max.
Length Required Headings a
Max. # Display
Items b
Max. #
References
Articles none c
Ab, I, R&D, E, Ack, SI, R,
TOC, KW 10 as needed c
Letters
3500 words
Ab, E, Ack, SI, R, TOC, KW
6
30
Reviews
none c
Ab, I, Ack, R, TOC, KW
as needed c
as needed c
Perspectives
5000 words
Ab, I, Ack, R, TOC, KW
as needed c
as needed c
Accounts
none c
Ab, I, Ack, R, TOC, KW
as needed c
as needed c
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Technology
Notes 3500 words Ab, E, Ack, SI, R, TOC, KW 6 30
(a) Key: Ab = Abstract; I = Introduction; R&D = combined Results and Discussion; E = Experimental Procedures; Ack =
Acknowledgments; SI = brief summary of the contents of Supporting Information, if used; R = References and Notes; TOC =
graphical image used for Table of Contents and for the Abstract, KW = keywords
(b) Figures, Schemes, and Tables
(c) No formal guideline, but authors will be asked to condense excessively long manuscripts, and to trim the number of display
items or references if necessary
ACS PUBLISHING CENTER
While this document will provide basic information on how to prepare and submit the manuscript as
well as other critical information about publishing, we also encourage authors to visit the ACS Publishing
Center for additional information on everything that is needed to prepare (and review) manuscripts for
ACS journals, such as
Mastering the Art of Scientific Publication which shares editor tips about a variety of topics
including making your paper scientifically effective, preparing excellent graphics, and writing
cover letters.
Resources on how to prepare and submit a manuscript to ACS Paragon Plus, ACS Publications’
manuscript submission and peer review environment.
Sharing your research with the public through ACS Publications open access program
MANUSCRIPT PREPARATION
Review Ready Submission
All ACS journals have simplified their formatting requirements in favor of a streamlined and
standardized review-ready format for an initial manuscript submission. Read more about the
requirements and the benefits these serves authors and reviewers here. Manuscripts submitted for
initial consideration must adhere to these standards:
Submissions must be complete with clearly identified standard sections used to report original
research, free of annotations or highlights, and include all numbered and labeled components.
Figures, charts, tables, schemes, and equations should be embedded in the text at the point of
relevance. Separate graphics can be supplied later at revision, if necessary.
A two-column manuscript template is available and can be used for manuscripts submitted to
any ACS journal. Templates are not required but may be useful to approximate how an article
will compose. For manuscripts with word count limits, authors are not required to fit content
into a page limit based on the template.
References can be provided in any style, but they must be complete, including titles.
Supporting Information should be submitted as a separate file(s).
Author names and affiliations on the manuscript must match what is entered into ACS.
Document Templates and Format
General information on the preparation of manuscripts may also be found in The ACS Style Guide.
Acceptable Software, File Designations, and TeX/LaTeX
See the list of Acceptable Software and appropriate File Designations to be sure your file types are
compatible with ACS Paragon Plus. Information for manuscripts generated from TeX/LaTeX is also
available.
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Cover Letter
A cover letter must accompany every manuscript submission. During the submission process, you may
type it or paste it into the submission system, or you may attach it as a file.
The cover letter must contain clear and precise information about the submission, highlighting the
significance of the work. The letter must contain the following elements:
Manuscript title
Name of the corresponding author, with contact information
Paragraph explaining why the manuscript is appropriate for ACS Combinatorial Science
Short lay summary (1 paragraph, ~150 words) describing the significance of the study and its
interest for a broad audience
Suggestions for possible reviewers, as well as sufficient justification for excluding potential
reviewers that might have a conflict of interest, may be included in the cover letter. This
information is also required to be entered separately in the ACS Paragon Plus manuscript
submission process.
If your manuscript is accepted for publication, ACS Combinatorial Science may choose promote your
research article through press communications and social media platforms.
Manuscript Text Components
Title. Titles should clearly and concisely reflect the emphasis and content of the manuscript and be
accessible to a broad audience. Titles are of great importance for current awareness and information
retrieval and should be carefully constructed for these purposes. One option that authors may wish to
consider is to present a significant outcome in the title. Titles should not contain specialized
abbreviations or jargon. Editors may request author revision of a title at any time prior to publication.
List of Author Names. All those who have made substantial contributions to the work should be
included. To facilitate indexing and retrieval and for unique identification of an author, first names,
initials, and surnames (e.g., John R. Smith) or first initials, second names, and surnames (e.g., J. Robert
Smith) should be used. At least one author must be designated with an asterisk as the person to whom
correspondence should be addressed. Please see the Author List section of this document for additional
information.
Author Affiliations. This should include only the address or addresses at which the work was performed.
Each address should be cross-referenced to the specific author unless all authors are affiliated with all
addresses.
Abstract. All manuscripts must contain an abstract, which should provide a succinct, informative
summation of the most important results and conclusions. The maximum length for the abstract of each
manuscript type is shown above. Abbreviations should be used sparingly and spelled out when first
used. The abstract should be written in complete sentences without the use of subheadings or
specialized jargon. It should be accessible to a broad scientific audience, for example, by being easily
understandable by a graduate student in the field. The TOC graphic will also be used as an Abstract
graphic. Abstract graphics are required for all manuscript types except Additions & Corrections and
Editorials.
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Keywords. Authors should provide a list of up to six keywords to be displayed below the abstract of their
publication. Keywords are required for all manuscript types except Additions & Corrections and
Editorials.
Introduction. In this section, the purpose and significance of the research should be clearly stated and
placed in the context of earlier work in the area. Extensive historical summaries are seldom warranted
and a complete survey of the literature should not be made, but the most important and relevant prior
work should be cited.
Results and Discussion. In Letters and Technology Notes, this section should be continuous with the
Introduction and does not receive a heading; in Articles, it should be given a heading after the
Introduction. Authors may choose to mix the presentation of data and interpretation, or present all of
the data before the discussion, whichever provides the more clear and concise account. The same data
should not be presented in more than one figure or in both a figure and a table, although summaries or
tabulations of data presented in figures may be included in Supporting Information if this makes
extraction of data easier for the reader. The purpose of the discussion is to interpret the results and to
relate them to existing knowledge in the field.
Experimental Procedures. A clear, unambiguous description of materials, methods, and equipment
should be provided in a format that permits repetition of the work elsewhere. Novel experimental
procedures and characterization data for key compounds should be described in sufficient detail, but
where pertinent, synthetic and bioassay protocols should refer to published procedures by literature
citation of the original method and any later modifications used. Supporting Information can be useful
for presenting experimental details while limiting the size of the main document. Manuscripts reporting
data from experiments on live animals must include a statement identifying the approving committee
and certifying that such experiments were performed in accordance with all national or local guidelines
and regulations. Results from experiments involving humans or tissue samples must additionally include
a statement that informed consent was obtained from the subject or from the next of kin. Authors must
emphasize any unexpected, new, or significant hazards or risks associated with the reported work. This
information should be in the experimental details section of the full article or communication.
Special notes for combinatorial libraries of synthetic small molecules
1. Methods for library generation, including any procedures of molecular cloning, transformation,
expression, selection, and the like that may occur in the generation of biomolecular libraries or
systems, must be clearly described so as to allow replication by investigators trained in standard
manipulations of the art. Because some readers of ACS Combinatorial Science will not be
experts in these techniques, care should also be taken to clearly explain the experimental design
and strategy, using as little jargon as possible.
2. Estimates of theoretical library sizes and library coverage should be given for cases in which
these two values are unlikely to be the same, such as in the creation of a genetic library limited
by transformation efficiency into host cells.
Author Information. The following information should be provided in these specific subheadings:
Present Addresses: Current address for each author if different from the location(s) where the
research was conducted.
Author Contributions: ACS Combinatorial Science recommends that individual contributions of
authors be listed.
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o Example:
X.Z. and J.Y. conceived and designed the experiments, X.Z. performed the
experiments, X.Z. and J.Y. co-wrote the manuscript and Supporting Information.
Funding Sources. Whenever possible, grant numbers should be included, as in: “This work was
supported by the NIH (GM123456).”
Conflict of Interest: If any conflicts exist, they should be described in this subheading. Please see
the Conflict-of-Interest Disclosure section for more details.
Acknowledgments. Technical assistance, advice from colleagues, gifts, etc., should be included in this
section.
Abbreviations. If nonstandard abbreviations (see The ACS Style Guide) are used within the manuscript,
then a section should be added to identify the abbreviations. Such abbreviations should also be defined
on first appearance in the manuscript text.
References. All references should be compiled together in a list at the end of the manuscript text. During
the publication process, many of them will have links added to other Web resources, such as the
corresponding abstracts in Chemical Abstracts and the full text on publisher Web sites. Because of this
electronic linking and because the references are not checked in detail by Editors or reviewers, it is
crucial that authors verify their accuracy.
See the descriptions of the types of manuscripts above for guidance concerning the number and
suggested coverage of references expected in each. However, unnecessarily long lists of references
should always be avoided. Each reference should be listed as a separate citation, and each should be
assigned a unique reference number. Footnotes are not permitted. This information should be
incorporated parenthetically within the body of the text or included in the reference list. Additional data
and peripheral discussion should usually be placed in the Supporting Information. Supplementary
references may be placed in the Supporting Information. Literature references must be numbered with
Arabic numerals in the order of their first citation in the text, and the corresponding numbers must be
inserted at the appropriate locations in the text. The following reference styles should be used.
For journals:
Rich, D. H.; Green, J.; Toth, M. V.; Marshall, G. R.; Kent, S. B. H. Hydroxyethylamine Analogues of the
p17/ p24 Substrate Cleavage Site Are Tight-Binding Inhibitors of HIV Protease. ACS Comb. Sci. 2010, 1,
1285-1288.
For journal articles published online ahead of issue or online only, the DOI should be used as follows:
Liu, C.; Yang, S. Synthesis of Angstrom-Scale Anatase Titania Atomic Wires. ACS Comb. Sci., published
online March 23, 2009; DOI: 10.1021/nn900157r.
For monographs:
Casy, A. F.; Parfitt, R. T. Opioid Analgesics; Plenum Press: New York, 1986; pp 333-384.
For edited books:
Rall, T. W.; Schleifer, L. S. Drugs Effective in the Therapy of the Epilepsies. In The Pharmacological Basis
of Therapeutics, 7th ed.; Gilman, A. G., Goodman, L. S., Rall, T. W., Murad, F., Eds.; Macmillan Publishing
Co.: New York, 1985; pp 446-472.
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Titles of journals should be abbreviated according to Chemical Abstracts Service Source Index (CASSI).
Manuscripts accepted for publication should be cited as “in press”; the DOI should be given if the
manuscript is published online. Manuscripts that are in preparation or have been submitted, but have
not yet been accepted, should be cited as unpublished results or personal communications.
For work published online (Just Accepted Manuscripts or ASAP) and work submitted for publication (e.g.,
submitted; in press), the DOI should be furnished in addition to the standard bibliographic information.
Authors are given instruction for citing work by DOI in an email communication when manuscript proofs
are made available. A DOI is assigned to each manuscript and should be in the form
http://dx.doi.org/10.1021/co000000a. DOI is an accepted form of citation before and after the article
appears in an issue.
Supporting Information
This information is provided to the reviewers during the peer-review process (for Review Only) and is
available to readers of the published work (for Publication). Supporting Information must be submitted
at the same time as the manuscript. See the list of Acceptable Software by File Designation and confirm
that your Supporting Information is viewable.
If the manuscript is accompanied by any supporting information files for publication, these files will be
made available free of charge to readers. A brief description of each file is required, and the paragraph
and descriptions should be placed at the end of the manuscript before the list of references. The
appropriate format is as follows:
Supporting Information. Brief descriptions in nonsentence format listing the contents of the files
supplied as Supporting Information.
When including supporting information for review only, include copies of references that are
unpublished or in-press. These files are available only to editors and reviewers.
Data Requirements
Nomenclature
Nonstandard abbreviations (see The ACS Style Guide) and acronyms should be used sparingly, and all
usage should be defined at the first occurrence in the text. Whenever possible, systematic nomenclature
as recommended by IUPAC and IUBMB for chemical compounds and biomolecules should be used. Names
of organisms should comply with genetic conventions, with genus and species names written in italics and
spelled out in full on first appearance. Gene symbols should conform to approved nomenclature and
should be italicized, whereas corresponding protein products should start with a capital letter and should
not be italicized. The available nomenclature databases (e.g., LocusLink) should be consulted for correct
names and symbols. Enzyme names should be accompanied by their Enzyme Commission (EC) numbers
(e.g., see http://www.expasy.ch/enzyme).
Known Compounds
For known compounds, the source or literature reference to the method of preparation and
characterization should be provided. Authors are encouraged to ensure that these references actually
provide such information, rather than directing the reader to other citations.
Characterization of Novel Matter
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Library Compounds. For compounds prepared in a library format, a general experimental procedure
should be provided, including full experimental details, with yields, for a representative selection of library
members. The synthesis protocols and selected characterized compounds must reflect the reliability and
scope of the reaction sequence. Complete characterization data for compounds comprising libraries need
not be reported. However, the synthesis of mixtures without characterization of representative members
having significant function does not constitute publishable research and therefore must be coupled with
the identification and validation of active compounds. In other words, the synthesis and testing of
mixtures may be reported, but library members responsible for observed activity should be identified and
characterized, and their activity verified. (See discussion of Key Compounds, below.) Reviewer evaluation
of the methods utilized for establishing overall library purity will be an integral part of the manuscript
review process. The following guidelines will be used.
Authors must demonstrate the reliability of their reaction sequence and the purity of the compounds
produced. In most instances, for the proposed chemistry to be considered successful and eligible to be
judged significant, it is expected that at least 80% of the sampled members of an unpurified library will
have chemical purities in excess of 80%. Of course, manuscripts describing higher standards should be
considered to meet the significance criterion more readily. Sequences that meet lesser standards may be
considered if their scope is clearly identified and they introduce strategies or concepts of significant
novelty.
Spectroscopic analyses should be provided for a random sampling of all new libraries that are not
composed of composite materials. In most cases, this shall mean that 5% or 20 members of a library
(whichever is greater) shall be sampled for purity and identity using appropriate methods, such as high-
performance liquid chromatography (HPLC), liquid chromatography-mass spectrometry (LC-MS), gas
chromatography (GC and GC-MS), supercritical fluid chromatography (SFC and SFC-MS), NMR, or some
combination for small molecules. Note, however, that ratios of peak areas in LC or GC analyses do not, in
general, directly provide ratios of compound concentrations, and quantitative calibration must be
performed in such situations. Similarly, chromatographic analyses in conjunction with gravimetric
determinations are helpful in determining purity but are usually not definitive due to weaknesses in
detecting the presence of residual solvent and inorganics. NMR against a known concentration of internal
standard is an excellent technique, but significant errors can occur if tetramethylsilane (TMS) is used
without consideration of its volatility. Hexamethyldisiloxane is an alternate internal standard of similar
chemical shift (~0.2 ppm relative to TMS) and much lower volatility. As noted below, more stringent
requirements for NMR data apply to key compounds, defined as those molecules exhibiting exemplary
function, structure, or composition.
Techniques, such as HPLC, gel permeation chromatography (GPC), size-exclusion chromatography (SEC),
and MS, can be employed for polymers, and gel electrophoresis and semi-quantitative sequencing
techniques for proteins and polynucleotides. In some cases, less than 5% sampling may be acceptable if
the reviewers are provided sufficient analytical data to convince them of the overall chemical integrity of
the library.
The Editor also understands that some aspects of characterization may be extremely difficult, if not
impossible, for certain types of compounds/materials. In such cases, a detailed explanation in a cover
letter explaining the characterization conducted and why additional characterization is not possible is
requested. Queries regarding the acceptability of a particular library characterization are welcomed.
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Key Compounds. Complete data should be provided for key compounds, which are those compounds in a
manuscript that receive extra attention beyond the primary or general screening that is applied to the
entire set for structureactivity analysis. For example, key compounds are those that are subject to
additional or follow-up studies for activity or function. The relevant characterization data for key
compounds are as follows:
HRMS and Elemental Analysis. For novel key compounds (excluding biomacromolecules and
crosslinked polymers or materials), elemental analysis data should be reported to support the
molecular formula assignment. HRMS data, while less desirable, can serve as an alternative. The
reported elemental analysis or HRMS data should include the molecular formulas on which the
theoretical (calcd) values are based, including any added atoms (often H+ or Na+ for ionization in
MS). Found values should be close enough to the calcd values, and have sufficiently small
estimated uncertainties, to exclude alternative plausible formulas. For HRMS, the ionization
method and the mass detector type should be reported. Elemental analysis values found for
carbon, hydrogen, and nitrogen (if present) should be within 0.4% of the calcd values for the
proposed formula. Complexed solvents, including water, should be confirmed by an additional
analytical method, such as NMR for organic solvents and Karl Fischer titration for water, if
possible.
NMR Spectral Data. 1H NMR and 13C NMR resonances should be provided for each key compound,
according to the guidelines provided under the section below titled “Guidelines for Reporting and
Stewardship of NMR Data” , and the solvent and instrument frequency should be identified.
Authors are encouraged to place in the Supporting Information copies of well-resolved 1H NMR
and proton-decoupled 13C NMR spectra for every new key compound, rather than providing only
lists of peak positions and intensities. The structure and compound number should be clearly
shown on each spectrum. 13C NMR peak shifts should be rounded off to the nearest 0.1 ppm,
except when greater precision is needed to distinguish between closely spaced peaks. If detailed
peak assignments are made, the type of 2D NMR methods used to establish atom connectivities
and spatial relationships should be identified in an Experimental Procedures paragraph in the
Supporting Information. In cases where structure assignments of complex molecules depend
heavily on NMR data interpretation, including isolated and synthesized natural products, copies
of suitable 2D spectra should also be placed in the Supporting Information.
Melting Points. The reporting of melting points of key compounds isolated as pure solids is
strongly encouraged; these values should be given as a range.
Isomers and Isomeric Mixtures. The composition of isomeric mixtures (regioisomers,
diastereomers, and enantiomers) must be reported. Enantiomeric ratio (er) or diastereomeric
ratio (dr) values are preferred over enantiomeric excess (ee) or diastereomeric excess (de) values.
Specific optical rotations should be reported for enantiopure compounds, enantioenriched
isomer mixtures, and isolated natural products, when a sufficient sample is available. Specific
rotations based on the equation [α] = (100α)/(lc) should be reported as unitless numbers as in
the following example: [α]D20 (c 1.9, MeOH), where the concentration c is in g/l00 mL and the path
length l is in decimeters. The units of the specific rotation, (degmL)/(gdm), are implicit and are
not included with the reported value.
Three-Dimensional Structures. 3D structures will be allowed in the main manuscript only if they
represent an essential component of the research described; otherwise, they should be placed in
13 | Page
Supporting Information. Manuscripts reporting new 3D structures of small molecules from
crystallographic analysis should include a structural figure with probability ellipsoids and an
electronic copy of the structural data in Crystallographic Information File (CIF) format. Authors
are encouraged to check the quality of their CIF files through the checkCIF website of the
International Union of Crystallography (http://checkcif.iucr.org). Those reporting NMR or X-ray
crystal structures of macromolecules must include a table with relevant data collection and
refinement statistics. For manuscripts reporting structures derived from electron microscopy
experiments, authors must provide an image showing the distribution of particles being analyzed,
the percentage of the particles being used in the reconstruction, and a correlation coefficient plot
(or equivalent data) to indicate the resolution of the presented structure. Upon request from the
Editor, the authors must provide sequence, structure data (including coordinate files and
structure), and/or microarray data in a MIAME-compliant format to the Editors and reviewers for
the purpose of evaluating the manuscript.
Power Diffraction Data. The presentation of X-ray powder diffraction data for new materials or
for materials previously uncharacterized by this technique is encouraged. Data from X-ray powder
measurements should be accompanied by details of the experimental technique: the radiation,
its wavelength, filters or monochromators, camera diameter, the type of X-ray recording, and the
technique for estimating intensities. In cases of an unindexed listing of the data, the d spacings of
all observed lines should be listed in sequence, together with their relative intensities. In cases
where filtered radiation is used, every effort should be made to identify residual β lines. Where
resolution into α1α2 doublets occurs, the identification of the d spacing for each line as dα1, dα2
gives a measure of the quality of the photograph. When an indexing of the data is offered, the
observed and calculated 1/d2 values should be listed side by side along with the observed relative
intensities (it is superfluous to give d spacings in this instance). All calculated 1/d2 values should
be listed (exclusive of systematic absences), to the limit of the data quoted. If possible, the crystal
system should be specified. Possible space groups may also be listed if the data warrant it.
Relevant information about the specimen used should be included.
Peptides and Biomacromolecules. For peptide materials, it is necessary to provide an amino acid
composition analysis. For biomacromolecules, structures may be established by providing
evidence about sequence and mass. Sequences may be inferred from the experimental order of
amino acid, saccharide, or nucleotide coupling; from known sequences of templates in enzyme-
mediated syntheses; or through standard sequencing techniques. Typically, a sequence will be
accompanied by MS data that establish the molecular weight. Additional characterization and
physical property data should be placed in the Supporting Information unless they are important
to the main discussion.
QSAR/QSPR and Proprietary Data
General Guidelines. (1) Authors should explicitly state in the manuscript the novel features of the
quantitative structureactivity relationships/quantitative structureproperty relationships (QSAR/QSPR)
study being reported. (2) All data and molecular structures used to carry out a QSAR/QSPR study should
be reported in the manuscript or Supporting Information or must be readily available without
infringements or restrictions. The use of proprietary data is generally not acceptable. (3) Standard
QSAR/QSPR studies will only be considered if the predictions are experimentally tested and if the
experimental data are novel and significant. Only QSAR/QSPR analyses that provide new insights into the
mechanism of activity are encouraged.
14 | Page
Criteria for Establishing Significance in a Library Synthesis Project
Papers describing the syntheses of chemical libraries will be judged to be sufficiently significant by
meeting one of two criteria: either (1) a fully characterized substance of novel, useful properties is
identified or (2) evidence is provided that application of the methods described will very likely provide
libraries in which there is high confidence that a large percentage of the library members consist of
compounds of known structure in good homogeneity and in consistent amount. While synthetic methods
leading to libraries of lower product confidence or purity may have value for the discovery of useful
substances, applications of standard methods purely for the synthesis of libraries of acceptable purity are
not in and of themselves sufficiently significant for publication. Submissions are also welcomed that
describe methodology relevant to library synthesis, without reporting the synthesis of libraries, and their
significance will be evaluated on a case-by-case basis.
Screening Data
Quantitative data are expected for manuscripts in which screening data are provided, unless unusual
circumstances (e.g., compound instability) prohibit testing of specific substances. Test methods must be
referenced or described in sufficient detail to permit the experiments to be repeated by others. Detailed
descriptions of screening methods should be placed in the Experimental Section or Supporting
Information (with a summary in the Experimental Section). Standard compounds should be tested in the
same system for comparison. Data may be presented as numerical expressions or in graphical form; data
for extensive series of compounds should be presented in tabular form. Tables consisting primarily of
negative data will not usually be accepted; however, for purposes of documentation they may be
submitted as Supporting Information.
In those cases where the major significance of a submission lies in the discovery of substances with novel
properties, such members obtained from combinatorial syntheses should be resynthesized, purified if
necessary, fully characterized (see “Key Compounds” section above), and retested to verify that the
property of the pure substance conforms to the initial observation.
Biological test methods must be referenced or described in sufficient detail (in the main text or
preferably in the Supporting Information) to permit the experiments to be repeated by others. Statistical
limits (statistical significance) for the biological data are usually required. If statistical limits cannot be
provided, the number of determinations and some indication of the variability and reliability of the data
(usually a statement regarding inherent error, such as standard deviation, standard error of the mean,
or the like) should be provided. References to statistical methods of calculation should be included. In
vivo biological data should be accompanied by statistical limits (statistical significance). Concentrations
and in vitro doses should be expressed as molar quantities (e.g., M, mM, µM, nM) whenever possible,
rather than mass per volume, and in vivo doses as mass per unit animal weight.
Guidelines for Reporting and Stewardship of NMR Data
The following guidelines recommend a standard baseline for the submission of NMR data to ACS
journals, and are intended in ACS Combinatorial Science to apply especially to “key compounds” in
molecular libraries. These guidelines are intended to promote accuracy and consistency. Please also
consult the ACS’ Ethical Guidelines to Publication of Chemical Research.
The guidelines are divided into three sections:
(1) NMR text, which outlines the preferred format for NMR data included in the Experimental
Section
15 | Page
(2) NMR spectra, which outlines the preferred format for inclusion of hard copies of spectra in the
Supporting Information
(3) Primary NMR data files, which outlines the procedure for submitting FID files, acquisition data
and processing parameters to include in the Supporting Information
Authors are strongly encouraged to provide all three sets of data for all new and/or key compounds
described in a manuscript submission. The benefits of providing a complete set of NMR data (text,
spectra and primary data files) include:
For readers:
(a) Easy and direct data comparison
(b) Ability to evaluate compound purity
(c) Ability to zoom, integrate and manipulate spectra NMR data is interactive
For Editors and reviewers, in addition to the benefits above, access to complete NMR datasets also
provide:
(d) Consistent quality of NMR data across the ACS Portfolio
(e) Improved archiving for the long-term benefit of the scientific community
1. NMR Text (Experimental Section):
1.1 The compound must be clearly identified, for example in a header at the beginning of a) the
synthetic procedure or b) the summary of spectroscopic data.
1.2 List the nucleus being measured, any nucleus being broad-band decoupled, the solvent used
(formula preferred, e.g. C6D6 over benzene-d6), the standard used, and the field strength.
1.2.1 Field strength should be noted for each spectrum, not as a comment in the general
experimental section.
1.2.2 The standard(s) may be specified in the general experimental section; as an
example, 1H NMR data recorded in C6D6 listed as “residual internal C6D5H (δ 7.15)”.
1.2.3 Indicate solvent or peak suppression protocols used in collecting data.
1.3 List the probe temperature when it is accurately known; ambient probe temperature is
otherwise understood.
1.4 Give 1H NMR chemical shifts to two digits after the decimal point. Include the number of
protons represented by the signal, peak multiplicity, and coupling constants as needed (J
italicized, reported with up to one digit after the decimal).
1.4.1 The number of bonds through which the coupling is operative, xJ, may be specified
by the author if known with a high degree of certainty.
1.4.2 Accepted abbreviations for multiplicities and descriptors are:
s = singlet
dd = doublet of doublets
d = doublet
dt = doublet of triplets
t = triplet
td = triplet of doublets
q = quartet
br = broad signal
quint = quintet
m = multiplet (denotes complex pattern)
16 | Page
1.5 Chemical shifts should be listed consistently in a single article, starting either from downfield
to upfield or vice-versa. Please consult the Author Guidelines for preferred formatting for
each journal.
1.6 Assign peak identities under the following circumstances:
1.6.1 Non-decoupled or equivalent spectra have been collected (13C, 31P, etc).
1.6.1 2-D experiments have been performed.
1.6.2 Unambiguous assignment is possible without additional experiments, such as in the
case of an organometallic metal-hydride 1H signal, PF6 vs. MPPh3 31P signal, etc.
1.7 Give 13C chemical shifts to one digit after the decimal point, unless an additional digit will
help distinguish overlapping peaks.
1.7.1 Include peak multiplicities for 1H-coupled 13C NMR spectra, or for signals in 1H-
decoupled spectra that are coupled to other magnetically active nuclei.
1.7.2 A 13C NMR signal will be considered a singlet if the multiplicity is not assigned.
1.7.3 Only rarely is a true multiplet observed in a 13C{1H} NMR spectrum. However, a
certain region may contain a group of unresolved peaks or signals.
1.8 Mention of unobserved resonances is encouraged.
Example 1 (no 2-D data collected):
5-C5Me5Co)2-μ-44-C9H10) (1): 1H NMR (C6D6, 400 MHz): δ -0.53 (s, 1H), 0.72 (d, 1H, J = 4.0 Hz), 0.98 (s,
1H), 1.58 (s, 15H), 1.62 (s, 3H), 1.73 (s, 15H), 1.95 (d, 1H, J = 4.0 Hz), 5.62 (t, 1H, J = 4.0 Hz), 6.00 (t, 1H, J
= 4.0 Hz). 13C{1H} NMR (C6D6, 400 MHz): δ 10.2, 10.6, 17.4, 38.3, 51.5, 54.2, 60.6, 80.8, 81.0, 88.0, 88.7.
Example 2 (2-D data collected):
Silvestrol (2): 1H NMR (CDCl3 with 0.05% v/v TMS, 400 MHz): δH 7.10 (2H, d, J = 8.9 Hz, H2′ and H6′), 7.03-
7.07 (3H, m, H3′′, H4′′ and H5′′), 6.83-6.85 (2H, m, H2′′ and H6′′), 6.66 (2H, d, J = 8.9 Hz, H3′ and H5′),
6.42 (1H, d, J = 1.8 Hz, H5), 6.26 (1H, d, J = 1.7 Hz, H7), 5.18 (1H, s, H1′′′), 5.01 (1H, d, J = 6.6 Hz, H1), 4.52
(1H, s, H2′′′), 4.27 (1H, d, J = 14.2 Hz, H3), 4.15 (1H, br d, J = 11.2 Hz, H4′′′), 4.05 (1H, t, J = 11.2 Hz, H3b′′′),
3.88 (1H, J = 14.3, 6.8 Hz, H2), 3.86 (3H, s, OCH38), 3.69 (3H, s, OCH34′), 3.64 (3H, s, COOCH32), 3.49 (3H,
br s, H5′′′ and H6′′′), 3.43-3.47 (1H, overlapped, H3a′′′), 3.45 (3H, s, OCH32′′′). 13C NMR (CDCl3, 125 MHz):
δC 170.6 (s, COCH32), 160.6 (s, C4a), 160.0 (s, C6), 158.8 (s, C4′), 157.1 (s, C8), 136.7 (s, C1′′ ), 129.0 (d,
C2′ and C6′), 127.8 (d, C2′′, C3′′, C5′′ and C6′′), 126.6 (d, C4′′), 126.3 (s, C1′), 112.7 (d, C3′ and C5′), 109.6
(s, C8a), 101.9 (s, C3a), 95.2 (d, C2′′′), 94.0 (d, C1′′′), 93.9 (d, C7), 93.4 (s, C8b), 92.9 (d, C5), 79.7 (d, C1),
70.7 (d, C5′′′), 68.3 (d, C4′′′), 63.3 (t, C6′′′), 59.0 (t, C3′′′), 55.9 (q, OCH38), 55.1 (q, OCH34′), 55.0 (d, C3; q,
OCH32′′′), 52.1 (q, COCH32), 50.3 (d, C2).
Note
Broad peaks between δH 1.5 to 3.0 ppm and at δH 3.79 ppm correspond to the protons of the OH groups
on C-1, C-8, C-5′′′ and C-6′′′, which disappeared after D2O exchange.
Example 3:
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-I-yl diphosphate (Farnesyl diphosphate, FPP, 3): 1H NMR (D2O,
300 MHz): δ 1.61 (s, 6H), 1.68 (s, 3H), 1.72 (s, 3H), 2.17-1.99 (m, 8H), 4.45 (d of d, 2H, JH,H = 6 Hz, JP,H = 6
Hz), 5.23-5.15 (m, 2H), 5.46 (t, 1H, J = 6 Hz). 13C NMR (D2O, 75 MHz): δ 16.3, 16.6, 17.9, 25.9, 27.0, 27.2,
17 | Page
40.1, 40.2, 63.2, 120.5, 124.8, 125.1, 131.6, 135.9, 142.8. 31P NMR (D2O, 121.5 MHz): δ 6.56 (d, 1P, JP,P =
21.9 Hz), 9.89 (d, 1P, JP,P = 21.9 Hz).
2. NMR Spectra (Supporting Information):
Submission of spectra (.doc, .docx, .txt, .pdf, .tif) is strongly recommended for all new and/or key
compounds. When submitting spectra, please consider the following guidelines:
2.1 A caption should be included on the spectrum, noting the nucleus being measured, the
solvent (formula preferred, e.g. C6D6 over benzene-d6) and the field strength.
2.2 A representation of the compound should be included on the spectrum please use
ChemDraw or a related program. The compound identifier used in the manuscript should be
included.
2.3 The largest peak in the 1H NMR spectrum should normally arise from the compound, not the
solvent.
2.4 All peaks in the 1H NMR spectrum should be integrated. Chemical shift values should be
included.
2.5 The solvent peak should be clearly labeled on the spectrum.
2.6 All peaks should be visible on the spectrum. Insets are encouraged to show expanded
regions. At minimum, the spectral window should be -1 ppm to 9 ppm for 1H NMR and -10
ppm to 180 ppm for 13C NMR.
2.7 Font should be clear and large enough to read (minimum of 10 point). Horizontal orientation
is preferred for spectra.
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Example 1:
Example 2:
19 | Page
Example 3:
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3. Primary NMR Data Files (Supporting Information)
Submission of primary NMR data files (FID files, acquisition data, processing parameters) is encouraged
for all new and/or key compounds. When submitting these files, please consider the following
guidelines:
3.1 One folder should be created for each compound. The folder should be named clearly, using
the compound name (if available) and compound identifier, as referenced in the
Experimental Section or Supporting Information. Include the FID files, acquisition data and
processing parameters for each experiment.
3.2 Name each spectrum according to the type of nucleus measured.
3.2.1 1H, 13C, DEPT, COSY, etc
3.3 NMR files should be compressed into zip files -- please use multiple zip files if necessary.
Files must be submitted in their native format.
3.4 In a text document, include the name of the manufacturer of the spectrometer used to
collect the data, the acquisition software and processing programs used to analyze the data,
and the field strength used to measure each nucleus (i.e. 300 MHz 1H or 50 MHz 13C).
3.5 Include a structure file that shows the structure and compound identifier for each provided
dataset. MolFile is the recommended format and is strongly preferred.
Language and Editing Services
A well-written paper helps share your results most clearly. ACS Publications’ English Editing Service is
designed to help scientists communicate their research effectively. Our subject-matter expert editors
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will edit your manuscript for grammar, spelling, and other language errors so your ideas are presented
at their best.
Preparing Graphics
The quality of illustrations in ACS journals depends on the quality of the original files provided by the
authors. Figures are not modified or enhanced by journal production staff. All graphics must be
prepared and submitted in digital format.
Graphics should be inserted into the main body whenever possible. Please see Appendix 2 for additional
information.
Any graphic (figure chart, scheme, or equation) that has appeared in an earlier publication should
include a credit line citing the original source. Authors are responsible for obtaining written permission
to re-use this material.
Figure and Illustration Services
The impact of your research is not limited to what you can express with words. Tables and figures such
as graphs, photographs, illustrations, diagrams, and other visuals can play a significant role in effectively
communicating your findings. Our Figures service generates publication-ready figures that conform to
your chosen journal’s specifications. This includes changes to file type, resolution, color space, font,
scale, line weights, and layout (to improve readability and professional appearance).
PREPARING FOR SUBMISSION
Manuscripts, graphics, supporting information, and required forms, as well as manuscript revisions,
must all be submitted in digital format through ACS Paragon Plus, which requires an ACS ID to log in.
Registering for an ACS ID is fast, free, and does not require an ACS membership. Please refer to
Appendix 1 for additional information on preparing your submission.
Prior Publication Policy
ACS Combinatorial Science authors are allowed to deposit an initial draft of their manuscript in a
preprint service, such as ChemRxiv, arXiv, or bioRxiv, or the applicable repository for their discipline
prior to submission. Please note any use of a preprint server in the cover letter, and as appropriate,
state how the manuscript has been adjusted/updated between deposition and submission. All other
prior/redundant publication is forbidden.
Upon publication in ACS Combinatorial Science, authors are requested to add a link from the preprint to
the published paper via the Digital Object Identifier (DOI). For further details, contact the Editorial
Office.
Editorial Policies
Manuscripts are handled expeditiously, and full advantage is taken of Web technology in the submission
and review of manuscripts.
The Review Process
The Editors evaluate submitted manuscripts, and only those judged to fall within the scope of the
journal and to be of potential interest to our readers are sent to two or more reviewers for evaluation.
Reviewers can suggest that a manuscript be published, revised, or rejected. Reviewers will evaluate the
22 | Page
originality, technical quality (including appropriateness of compound characterization data), clarity of
presentation, and significance to the field. The Editors evaluate the reviewers’ arguments in the context
of the scope of the journal and make the final decision on each manuscript.
Editorial decisions are based on many factors. Reviewers’ concerns are considered very seriously. When
reviewers suggest different decisions, additional information may be requested from the reviewers,
other experts may be consulted, the authors may be asked to clarify questionable sections, or both.
Reviewers may be asked to consider subsequent versions of the manuscript, especially if new data have
been added to the manuscript, to evaluate whether the authors have sufficiently addressed the
scientific concerns. In such cases, blind copies of all previous reviewer comments may be sent to the
reviewers. This practice allows the reviewers to obtain a clear understanding of the expectations of the
Editors. The Editors will expedite any additional rounds of reviews to ensure timely publication.
Anonymity
The ACS strongly disapproves of any attempts by authors to determine the identity of reviewers or to
confront potential reviewers. The editorial policy of this journal is to neither confirm nor deny any
speculation about the identities of our reviewers. The journal will not release the identity of a reviewer
to the authors or to other reviewers.
Providing Potential Reviewer Names
Please suggest 4-5 reviewers. Authors are encouraged to avoid suggesting reviewers from the authors
institutions. Do not suggest reviewers who may have a real or perceived conflict of interest. Whenever
possible, suggest academic email addresses rather than personal email addresses.
Manuscript Transfer
If your submission is declined for publication by this journal, the editors might deem your work to be
better suited for another ACS Publications journal and suggest that the authors consider transferring the
submission. Manuscript Transfer simplifies and shortens the process of submitting to another ACS
journal, as all the coauthors, suggested reviewers, manuscript files, and responses to submission
questions are copied by ACS Paragon Plus to the new draft submission. Authors are free to accept or
decline the transfer offer.
Note that each journal is editorially independent. Transferring a manuscript is not a guarantee that the
manuscript will be accepted, as the final publication decision will belong to the editor of the next
journal.
PRODUCTION AND PUBLICATION
Proofs via ACS Direct Correct
Correction of the galley proofs is the responsibility of the Corresponding Author. The Corresponding
Author of an accepted manuscript will receive e-mail notification and complete instructions when page
proofs are available for review via ACS Direct Correct. Extensive or important changes on page proofs,
including changes to the title or list of authors, are subject to review by the editor.
It is the responsibility of the Corresponding Author to ensure that all authors listed on the manuscript
agree with the changes made on the proofs. Galley proofs should be returned within 48 hours in order
to ensure timely publication of the manuscript.
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Publication Date and Patent Dates
Accepted manuscripts will be published on the ACS Publications Web site as JAMs (see below) or as soon
as page proofs are corrected and all author concerns are resolved. The first date on which the document
is published on the Web is considered the publication date.
Publication of manuscripts on the Web may occur weeks in advance of the cover date of the issue of
publication. Authors should take this into account when planning their patent and intellectual property
activities related to a document and should ensure that all patent information is available at the time of
first publication, whether Just Accepted, ASAP, or issue publication.
All articles published ahead of print receive a unique Digital Object Identifier (DOI) number, which is
used to cite the manuscript before and after the paper appears in an issue. Additionally, any
supplemental information submitted along with the manuscript will automatically be assigned a DOI and
hosted on Figshare to promote open data discoverability and use of your research outputs.
Just Accepted Manuscripts (JAMs)
Just Accepted manuscripts (JAMs) are peer-reviewed, accepted manuscripts that are posted on the ACS
Publications Web site prior to technical editing, formatting for publication, and author proofingusually
within 30 minutes to 24 hours of acceptance by the editorial office. During the manuscript submission
process, Authors can choose to have their manuscript posted online as JAMs. If an author chooses to
have a manuscript published online as a JAM, it is considered published when this version appears on
the Web.
ASAP Publication
Manuscripts will be published on the “Articles ASAP” page on the Web as soon as page proofs are
corrected and all author concerns are resolved. ASAP publication usually occurs within a few working
days of receipt of page proof corrections, which can be several weeks in advance of the cover date of
the issue.
Post-Publication Policies
The American Chemical Society follows guidance from the Committee on Publication Ethics (COPE) when
considering any ethical concerns regarding a published article, Retractions, and Expressions of Concern.
Additions and Corrections
Additions and Corrections may be requested by the author(s) or initiated by the Editor to address
important issues or correct errors and omissions of consequence that arise after publication of an
article. All Additions and Corrections are subject to approval by the Editor, and should bring new and
directly relevant information and corrections that fix scientific facts. Minor corrections and additions will
not be published. Readers who detect errors of consequence in the work of others should contact the
corresponding author of that work.
Additions and Corrections must be submitted as new manuscripts via ACS Paragon Plus by the
Corresponding Author for publication in the “Addition/Correction” section of the Journal. The
corresponding author should obtain approval from all coauthors prior to submitting or provide evidence
that such approval has been solicited. The manuscript should include the original article title and author
list, citation including DOI, and details of the correction.
24 | Page
Retractions
Articles may be retracted for scientific or ethical reasons and may be requested by the article author(s)
or by the journal Editor(s), but are ultimately published at the discretion of the Editor. Articles that
contain seriously flawed or erroneous data such that their findings and conclusions cannot be relied
upon may be retracted in order to correct the scientific record. When an article is retracted, a notice of
Retraction will be published containing information about the reason for the Retraction. The originally
published article will remain online except in extraordinary circumstances (e.g. where deemed legally
necessary, or if the availability of the published content poses public health risks).
Expressions of Concern
Expressions of Concern may be issued at the discretion of the Editor if:
there is inconclusive evidence of research or publication misconduct by the authors;
there is evidence that the findings are unreliable but the authors’ institution will not investigate
the case;
an investigation into alleged misconduct related to the publication either has not been, or would
not be, fair and impartial or conclusive;
an investigation is underway but a judgment will not be available for a considerable time.
Upon completion of any related investigation, and when a final determination is made about the
outcome of the article, the Expression of Concern may be replaced with a Retraction notice or
Correction.
Sharing Your Published Article
At ACS Publications, we know it is important for you to be able to share your peer reviewed, published
work with colleagues in the global community of scientists. As sharing on sites known as scholarly
collaboration networks (SCNs) is becoming increasingly prevalent in today’s scholarly research
ecosystem, we would like to remind you of the many ways in which you, a valued ACS author, can share
your published work.
Publishing open access makes it easy to share your work with friends, colleagues, and family members.
In addition, ACS Publications makes it easy to share your newly published research with ACS Articles on
Request (see below). Don’t forget to promote your research and related data on social media, at
conferences, and through scholarly communication networks. Increase the impact of your research
using the following resources: Altmetrics, Figshare, ACS Certified Deposit.
E-Prints
When your article is published in an ACS journal, corresponding authors are provided with a link that
offers up to 50 free digital prints of the final published work. This link is valid for the first 12 months
following online publication, and can be shared via email or an author’s website. After one year, the
access restrictions to your article will be lifted, and you can share the Articles on Request URL on social
media and other channels. To access all your Articles on Request links, log in to your ACS Publishing
Center account and visit the “My Published Manuscripts” page.
Reprints
Article, Journal, and Commercial reprints are available to order.
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Appendix 1: PREPARING FOR SUBMISSION
We’ve developed ACS’ publishing and editorial policies in consultation with the research communities
that we serve, including authors and librarians. Browse our policies below to learn more.
Ethical Guidelines
ACS editors have provided Ethical Guidelines for persons engaged in the publication of chemical
research—specifically, for editors, authors, and reviewers. Each journal also has a specific policy on prior
publication.
Safety Considerations
Authors must emphasize any unexpected, new, and/or significant hazards or risks associated with the
reported work. This information should be in the Experimental Section of the full article and included in
the main text of a letter.
Conflict of Interest Disclosure
A statement describing any financial conflicts of interest or lack thereof is published in each ACS journal
article.
During the submission process, the Corresponding Author must provide a statement on behalf of all
authors of the manuscript, describing all potential sources of bias, including affiliations, funding sources,
and financial or management relationships, that may constitute conflicts of interest. If the manuscript is
accepted, the statement will be published in the final article.
If the manuscript is accepted and no conflict of interest has been declared, the following statement will
be published in the final article: “The authors declare no competing financial interest.”
Plagiarism
In publishing only original research, ACS is committed to deterring plagiarism, including self-plagiarism.
ACS Publications uses CrossCheck's iThenticate software to screen submitted manuscripts for similarity
to published material. Note that your manuscript may be screened during the submission process.
Further information about plagiarism can be found in Part B of the Ethical Guidelines to Publication of
Chemical Research. See also the Press Release regarding ACS' participation in the CrossCheck initiative.
Author List and Coauthor Notification
Authors are required to obtain the consent of all their coauthors prior to submitting a manuscript. The
submitting author accepts the responsibility of notifying all coauthors that the manuscript is being
submitted.
If any change in authorship is necessary after a manuscript has been submitted, the Corresponding
Author must e-mail a signed letter to the Editor-in-Chief confirming that all of the original coauthors
have been notified and have agreed to the change. If the change involves the removal of a coauthor’s
name, the Corresponding Author must, in addition, arrange for the coauthor involved to e-mail a
separate signed letter to the Editor-in-Chief consenting to the change. No changes in the author list will
be permitted after a manuscript has been accepted.
During manuscript submission, the submitting author must provide contact information (full name,
email address, institutional affiliation, and mailing address) for all of the coauthors. Because all of the
26 | Page
author names are automatically imported into the electronic Journal Publishing Agreement, the names
must be entered into ACS Paragon Plus in the same sequence as they appear on the first page of the
manuscript. (Note that coauthors are not required to register in ACS Paragon Plus.)
Patent Activities and Intellectual Property
Authors are responsible for ensuring that all patent activities and intellectual property issues are
satisfactorily resolved prior to first publication (Just Accepted, ASAP, or in issue). Acceptance and
publication will not be delayed for pending or unresolved issues of this nature.
Open Researcher and Contributor ID (ORCID)
Authors submitting manuscript revisions are required to provide their own personal, validated ORCID iD
before completing the submission, if an ORCID iD is not already associated with their ACS Paragon Plus
user profiles. This ID may be provided during original manuscript submission or when submitting the
manuscript revision. All authors are strongly encouraged to register for an ORCID iD, a unique
researcher identifier. The ORCID iD will be displayed in the published article for any author on a
manuscript who has a validated ORCID iD associated with ACS when the manuscript is accepted.
ORCID iDs should not be typed into the manuscript. ACS publishes only those ORCID iDs that have been
properly verified and linked before the manuscript is accepted. After your ORCID iD is linked, it will be
displayed automatically in all subsequently accepted manuscripts for any/all ACS journals. We do not
publish ORCID iDs provided during proof review or via other communications after a manuscript is
accepted for publication.
With an ORCID iD, you can create a profile of your research activities to distinguish yourself from other
researchers with similar names, and make it easier for your colleagues to find your publications. If you
do not yet have an ORCID iD, or you wish to associate your existing ORCID iD with your ACS Paragon Plus
account, you may do so by clicking on “Edit Your Profile” from your ACS Paragon Plus account homepage
and following the ORCID-related links. Learn more at http://www.orcid.org.
Copyright and Permissions
To obtain forms and guidelines for copyright transfer, obtaining permissions from copyright owners, and
to explore a Copyright Learning Module for chemists, click here.
Funder Reporting Requirement
Authors are required to report funding sources and grant/award numbers. Enter ALL sources of funding
for ALL authors in BOTH the Funder Registry Tool in ACS Paragon Plus and in your manuscript to meet
this requirement.
Open Access Compliance
ACS offers options by which authors can fulfill the requirements of manuscript deposit for research
funded by the National Institutes of Health, the Wellcome Trust, and the Austrian Science Fund.
ACS offers options by which authors can fulfill the requirements for open access and deposition into
repositories for funded research. Read more about Open Access Compliance and ACS Open Access
initiatives.
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Appendix 2: Preparing Graphics
Resolution
Digital graphics pasted into manuscripts should have the following minimum resolutions:
Black and white line art 1200 dpi
Grayscale art 600 dpi
Color art 300 dpi
Size
Graphics must fit a one- or two-column format. Single-column graphics can be sized up to 240 points
wide (3.33 in.) and double-column graphics must be sized between 300 and 504 points (4.167 in. and 7
in.). The maximum depth for all graphics is 660 points (9.167 in.) including the caption (allow 12 pts. For
each line of caption text). Lettering should be no smaller than 4.5 points in the final published format.
The text should be legible when the graphic is viewed full-size. Helvetica or Arial fonts work well for
lettering. Lines should be no thinner than 0.5 point.
Color
Color may be used to enhance the clarity of complex structures, figures, spectra, and schemes, etc., and
color reproduction of graphics is provided at no cost to the author. Graphics intended to appear in black
and white or grayscale should not be submitted in color.
Type of Graphics
Table of Contents (TOC)/Abstract Graphic
Consult the Guidelines for Table of Contents/Abstract Graphics for specifications.
Figures
A caption giving the figure number and a brief description must be included below each figure. The
caption should be understandable without reference to the text. It is preferable to place any key to
symbols used in the artwork itself, not in the caption. Ensure that any symbols and abbreviations used in
the text agree with those in the artwork.
Charts
Charts (groups of structures that do not show reactions) may have a brief caption describing its contents
Tables
Each table must have a brief (one phrase or sentence) title that describes the contents. The title should
be understandable without reference to the text. Details should be put in footnotes, not in the title.
Tables should be used when the data cannot be presented clearly in the narrative, when many numbers
must be presented, or when more meaningful inter- relationships can be conveyed by the tabular
format. Tables should supplement, not duplicate, information presented in the text and figures. Tables
should be simple and concise.
Schemes
Each scheme (sequences of reactions) may have a brief caption describing its contents.
Chemical Structures
Chemical structures should be produced with the use of a drawing program such as ChemDraw.
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Cover Art
Authors may submit their proposed cover art after manuscript acceptance by contacting the Managing
Editor. Cover art should be colorful and interesting graphics with minimal text. It does not have to come
from the manuscript. Images should be 8.438 inches wide x 7.375 inches high at 300 dpi. We are looking
for high resolution, high-quality artwork. Acceptable formats are PSD, AI, TIF, PNG, EPS, JPG, PDF. We
will also need a brief caption (20-30 words) describing the image.
Web Enhanced Objects (WEO)
The Web editions of ACS journals allow readers to view multimedia attachments such as animations and
movies that complement understanding of the research being reported.
WEOs should be uploaded in ACS Paragon Plus with ‘Web Enhanced Object’ selected as the file
designation. Consult the list of compatible WEO formats.

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