Instance maps as an organising concept for complex experimental workflows as demonstrated for (nano)material safety research

• Benjamin Punz,
• Maja Brajnik,
• Joh Dokler,
• Jaleesia D. Amos,
• Litty Johnson,
• Katie Reilly,
• Anastasios G. Papadiamantis,
• Amaia Green Etxabe,
• Lee Walker,
• Diego S. T. Martinez,
• Steffi Friedrichs,
• Klaus M. Weltring,
• Nazende Günday-Türeli,
• Claus Svendsen,
• Christine Ogilvie Hendren,
• Mark R. Wiesner,
• Martin Himly,
• Iseult Lynch and
• Thomas E. Exner

Beilstein J. Nanotechnol. 2025, 16, 57–77, doi:10.3762/bjnano.16.7

• earliest parts of the data life cycle was a primary goal of the NIKC team in developing the approach in order to generate “premeditated interoperability” of resulting datasets and, therefore, enable broad integration of datasets across multiple groups; however, the realisation of that goal could only

• interoperability! While the focus of the cases presented here is nanosafety and sustainability, the general utility and applicability of the instance map concept to describe complex experimental and computational studies in other research areas and potentially in regulatory settings and industrial development and

• materials characterisation experts, to facilitate collaboration with industry end users, and to optimise the interoperability of data and, thus, enable better data reuse by modelling experts. Likewise, efforts are ongoing to harmonise the (ii) materials MOdelling DAta terminology, resulting in templates for

Integrating high-performance computing, machine learning, data management workflows, and infrastructures for multiscale simulations and nanomaterials technologies

• Fabio Le Piane,
• Mario Vozza,
• Matteo Baldoni and
• Francesco Mercuri

Beilstein J. Nanotechnol. 2024, 15, 1498–1521, doi:10.3762/bjnano.15.119

• materials discovery, emphasizing a fully digital, data-centric methodology. The integration of methodologies rooted in knowledge and structured information management serves as a foundational element, establishing a framework for representing materials-related information and ensuring interoperability

• engineering in establishing data and information standards to facilitate interoperability. Furthermore, the paper explores the role of deployment technologies in managing HPC infrastructures. It also addresses the pairing of these technologies with user-friendly development tools to support the adoption of

• strategies heavily rely on data from various sources, including experimental measurements, simulations, and literature databases. However, ensuring the accessibility, reliability, and interoperability of data remains a significant hurdle. Standardization efforts and data sharing platforms are essential to

Nanocuration workflows: Establishing best practices for identifying, inputting, and sharing data to inform decisions on nanomaterials

• Christina M. Powers,
• Karmann A. Mills,
• Stephanie A. Morris,
• Fred Klaessig,
• Sharon Gaheen,
• Nastassja Lewinski and
• Christine Ogilvie Hendren

Beilstein J. Nanotechnol. 2015, 6, 1860–1871, doi:10.3762/bjnano.6.189

• repositories available for nanomaterial data develop methods to facilitate interoperability, then investigators could share their data with multiple stakeholder groups by entering information in a standardized format and ontology in one repository. This idealized scenario will of course take time to realize

The Nanomaterial Data Curation Initiative: A collaborative approach to assessing, evaluating, and advancing the state of the field

• Christine Ogilvie Hendren,
• Christina M. Powers,
• Mark D. Hoover and
• Stacey L. Harper

Beilstein J. Nanotechnol. 2015, 6, 1752–1762, doi:10.3762/bjnano.6.179

• toward the purposes for which the individual resources were created, as well as the purpose for integrating multiple resources. Early acknowledgement and undertaking of complex topics such as uncertainty, reproducibility, and interoperability is proposed as an important path to addressing key challenges

• within the nanomaterial community, such as reducing collateral negative impacts and decreasing the time from development to market for this new class of technologies. Keywords: curation; data integration; interoperability; nanoinformatics; nanomaterials; Introduction The topic of Big Data, and its

• upon release to the environment, or into the body. Such challenges make the process of integrating diverse nanotechnology-related datasets a seemingly intractable problem. Progress toward defining and achieving a level of “functional interoperability” of datasets, which we define as the level of

Experiences in supporting the structured collection of cancer nanotechnology data using caNanoLab

• Stephanie A. Morris,
• Sharon Gaheen,
• Michal Lijowski,
• Mervi Heiskanen and
• Juli Klemm

Beilstein J. Nanotechnol. 2015, 6, 1580–1593, doi:10.3762/bjnano.6.161

• need to integrate and compare datasets generated by different research groups. However, the lack of availability and access to datasets stored across a variety of resources with limited data exchange hinders this goal. The caNanoLab team strongly supports interoperability between databases, and engages

• understand their needs. Active outreach and collaborations are required to meet these goals, as well as sustained interest in the use of databases by the community, and increased data exchange between resources and researchers. Enhancing data interoperability by collaborative development of data standards

• nanotechnology databases (as described above), to working with other groups to develop data standards and guidelines for data submission and sharing. In particular, interoperability with other databases is seen as important both for NCI and the caNanoLab user community. To achieve this goal, the caNanoLab team