Knowledgebases: Difference between revisions

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Created page with "= NAN Knowledgebases = The NAN Knowledgebases (KBs) are a suite of curated resources designed to help both novice and expert users explore how nuclear magnetic resonance (NMR) spectroscopy may be applied to solve complex scientific problems. Knowledgebases support education, reproducibility, and data reuse, and are a key component of the NAN mission to democratize access to high-field NMR and promote FAIR data practices. == Overview == NAN Knowledgebases are built aro..."
 
 
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= NAN Knowledgebases =
{{KB_navigation}}
 
The NAN Knowledgebases (KBs) are a suite of curated resources designed to help both novice and expert users explore how nuclear magnetic resonance (NMR) spectroscopy may be applied to solve complex scientific problems. Knowledgebases support education, reproducibility, and data reuse, and are a key component of the NAN mission to democratize access to high-field NMR and promote FAIR data practices.


== Overview ==
== Overview ==
Nuclear Magnetic Resonance (NMR) is one of the most versatile tools in scientific research, enabling detailed, non-destructive analysis of molecular structure, dynamics, and interactions across a wide range of systems. It is used extensively in chemistry, biology, materials science, and medicine to study everything from small organic molecules to complex biomacromolecules, solid-state materials, and living organisms. NMR provides atomic-level insights into chemical environments and conformational changes, supports drug discovery and metabolomics, and is essential for characterizing new materials and probing molecular mechanisms in cells and tissues. Its adaptability across solution, solid, and in vivo states makes it uniquely powerful for answering diverse scientific questions.


NAN Knowledgebases are built around use cases and vetted examples that provide users with the information and resources needed to understand and perform specific classes of NMR experiments. Each KB entry may include sample preparation protocols, tested pulse programs, acquisition parameters, data processing workflows, and analysis scripts. Many also include fully annotated example datasets—referred to as '''KB datasets'''—which serve as reproducible exemplars of specific NMR applications.
== Knowledgebase Categories ==
 
NAN KBs are organized into four thematic categories with KBs for non-experts and KB datasets available for each.
Knowledgebases are categorized into four major domains:
* '''Bio Solids'''
* '''Bio Solids'''
* '''Bio Solutions'''
* '''Bio Solutions'''
* '''Material Solids'''
* '''Material Sciences'''
* '''Metabolomics'''
* '''Metabolomics'''


In addition, NAN supports the development of thematic knowledgebases for education and outreach, including:
== Types of Knowledgebase Content ==
* '''Novice Knowledgebases''' – Designed for users with little to no experience in NMR, introducing the capabilities of NMR through guided examples
To translate that versatility into practice, NAN Knowledgebases (KBs) includes come in different flavors:
* '''Literature Vignettes''' – Highlight published research where NMR played a key role in answering scientific questions
* '''Periodic Table Explorer''' – A solid-state NMR-centric periodic table with entries for NMR-active nuclei
* '''KB Datasets''' – Fully populated datasets enriched with metadata, supplemental data, and example analysis files
 
== Why Knowledgebases? ==
 
NMR is a powerful but technically complex method. NAN Knowledgebases help lower the barrier to entry by:
* Documenting sample requirements and preparation tips
* Providing standardized pulse programs and experimental parameters
* Offering examples of data acquisition, processing, and interpretation
* Highlighting peer-reviewed use cases to demonstrate scientific impact
* Enabling FAIR data sharing with persistent identifiers and rich metadata
 
Knowledgebases also support expert users by serving as repositories for validated methods, reference datasets, and standardized workflows.
 
== Links to Specific Knowledgebase Sections ==


* [[Novice Knowledgebases]] – Introductory guides and tutorials for new users
* '''[[Knowledgebases for Non-Experts]]'''—Topic-focused informational KBs that introduce different ways NMR can be used to address scientific questions across disciplines.
* [[Periodic Table Explorer]] – Interactive tool focused on solid-state NMR of individual nuclei
* '''[[Knowledgebase Datasets]]'''—well-vetted experimental datasets that include raw data, pulse programs, acquisition parameters, processing scripts, processed data, sample metadata, and protocols for sample preparation, experimental setup, and analysis. These KB datasets act as exemplars to allow users to fully recapitulate these NMR experiments on different instruments and systems.
* [[KB Datasets]] – Metadata-rich, vetted experimental datasets for reuse and reproducibility


== Related Resources ==
* [[Materials Periodic Table|'''Materials Periodic Table''']]—A periodic table of isotopes providing details on the applicability of performing NMR on different isotopes in material science.


NAN datasets and KB resources are accessible via the [[Data Browser]], where users can search, filter, and analyze archived experiments. Each KB dataset includes links to associated samples, protocols, and supplemental data.
== Vignettes ==
Vignettes are used throughout the KBs for non-experts and Materials Periodic Table to provide additional information through:


== Join the Effort ==
* Content Vignettes - vignettes linked from the various '''Content Area''' pages to provide additional information on the subject.
* [[Vignette Library|Literature Vignettes]] - vignettes which may also be linked from the KBs for non-expert content area pages to provide concise synopses of the publications where the content area was utilized.


NAN welcomes contributions to the Knowledgebases. If you have a published dataset, a method worth sharing, or an idea for a new entry, please contact the NAN Knowledgebase team through the [[Contact Us]] page or the appropriate PI delegate at your facility.
== Contribute to the Knowledgebase ==


----
We invite members of the community to contribute to NAN KBs. If you are interested in becoming a '''KB content provider'''—for either novice KBs or exemplar KB datasets—please [https://usnan.org/about/contacts Contact Us] to learn more.
''NAN is a collaborative initiative of UConn Health, the University of Georgia, and the University of Wisconsin–Madison, supported by the National Science Foundation Midscale Research Infrastructure Program.''

Latest revision as of 16:01, 18 June 2025

Overview

Nuclear Magnetic Resonance (NMR) is one of the most versatile tools in scientific research, enabling detailed, non-destructive analysis of molecular structure, dynamics, and interactions across a wide range of systems. It is used extensively in chemistry, biology, materials science, and medicine to study everything from small organic molecules to complex biomacromolecules, solid-state materials, and living organisms. NMR provides atomic-level insights into chemical environments and conformational changes, supports drug discovery and metabolomics, and is essential for characterizing new materials and probing molecular mechanisms in cells and tissues. Its adaptability across solution, solid, and in vivo states makes it uniquely powerful for answering diverse scientific questions.

Knowledgebase Categories

NAN KBs are organized into four thematic categories with KBs for non-experts and KB datasets available for each.

  • Bio Solids
  • Bio Solutions
  • Material Sciences
  • Metabolomics

Types of Knowledgebase Content

To translate that versatility into practice, NAN Knowledgebases (KBs) includes come in different flavors:

  • Knowledgebases for Non-Experts—Topic-focused informational KBs that introduce different ways NMR can be used to address scientific questions across disciplines.
  • Knowledgebase Datasets—well-vetted experimental datasets that include raw data, pulse programs, acquisition parameters, processing scripts, processed data, sample metadata, and protocols for sample preparation, experimental setup, and analysis. These KB datasets act as exemplars to allow users to fully recapitulate these NMR experiments on different instruments and systems.
  • Materials Periodic Table—A periodic table of isotopes providing details on the applicability of performing NMR on different isotopes in material science.

Vignettes

Vignettes are used throughout the KBs for non-experts and Materials Periodic Table to provide additional information through:

  • Content Vignettes - vignettes linked from the various Content Area pages to provide additional information on the subject.
  • Literature Vignettes - vignettes which may also be linked from the KBs for non-expert content area pages to provide concise synopses of the publications where the content area was utilized.

Contribute to the Knowledgebase

We invite members of the community to contribute to NAN KBs. If you are interested in becoming a KB content provider—for either novice KBs or exemplar KB datasets—please Contact Us to learn more.

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