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Journals

Operationalizing Digital Twins in Biomanufacturing through Interoperable Process Analytical Technology

Author(s)
Abhijeet Satwekar, Cyndell Gracieux-Singleton, Veerabhadraiah Palakollu, Monica Acerbi, Ryan Barton, Chris Cummings, Allie Horton, Sandeep Kedia, Thomas Cornish, Katharina Yandrofski, Roger Hart, Dannielle Berlinghieri, James Saylor, Kelvin H. Lee
The integration of Process Analytical Technologies (PAT) within digital twin architectures represents a critical advancement in biopharmaceutical manufacturing...

A playbook for harmonization of standards for emergent viral pathogens

Author(s)
Sara Suliman, Megan Cleveland, Neil Almond, Mojca Milavec, Denise O'Sullivan, Peter Vallone, Marc Salit
Effective clinical and public health decision-making during a pandemic depends on reliable and interoperable clinical diagnostic test results. To ensure...

Reference Correlation of the Thermal Conductivity of Neon

Author(s)
Marc Assael, Sofia Sotiriadou, Monika Thol, Marcia Huber
A new wide-ranging correlation for the thermal conductivity of neon, based on the most recent ab-initio dilute gas theoretical calculations, a simplified...

Defect states in the electronic structure of Ga2O3 transparent conductive oxides

Author(s)
Elizaveta Pyatenko, Constantin Wansorra, Ralph Steininger, John Vinson, Wolfram Witte, Dimitrios Hariskos, Michael Powalla, Clemens Heske, Lothar Weinhardt, Dirk Hauschild
Defect states are crucial in many electronic devices. Oxygen vacancies, for example, are common in transparent conductive oxides and can both be beneficial (e.g...

Structure-Property Relationships for Biodegradability in Copolyesters

Author(s)
Katharina Fransen, Julia Casey, Gabrielle Godbille-Cardona, Natalie Mamrol, Jiale Shi, Alex Zappi, Jignesh Mahajan, Jiarui Lu, Debra Audus, Bradley Olsen
With growing concerns about increasing plastic pollution, interest in biodegradable polymers, particularly polyesters, continues to grow. Copolymerization is an...

Erratum: "Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models" [J. Chem. Phys., 161, 094113 (2024)]

Author(s)
Harold Hatch, Christina Bergonzo, Marco Blanco, Guangcui N. Yuan, Sergei Grudinin, Mikael Lund, Joseph E. Curtis, Alexander Grishaev, Yun Liu, Vincent Shen
The authors initiate a correction to Hatch et al. [J. Chem. Phys., 161, 094113 (2024)]. If the particles are of the same type, particle swap symmetry was...

Brain Health and the Gut Microbiome (bMicrobiome Study): A Proof-of-Concept, Feasibility Study Integrating Shotgun Metagenomics, Metrology, and Multidimensional Phenotyping Across the Cognitive Aging Spectrum

Author(s)
Leigh Frame, Alison Warren, Abdelmohsen Al Qalam, Patrick Corr, Mina Farah, Michaela Karam, Katherine Rangoussis, Mehrshad Fahim Devin, Zeynep Celikkol, Lindsey Gordon, Daniel Villarreal, Elizabeth Catto, Yvonne Udam, Katherine Thompson, Owen Lubinski, Abdallah Samman, Alia Badawi, Holly Hack, Monique Hunter, Ian Hines, Stephanie Servetas, Scott Jackson, Nur A Hasan, Mikhail Kogan
Background: Gut microbiome alterations have been associated with cognitive decline inconsistently, owing to insufficient power, methodological variability...

From Intermolecular Poses to Thermodynamics Using Subdivided Spheres

Author(s)
Isabel Vinterbladh, Jordan Bye, Robin Curtis, Harold Hatch, Sergei Grudinin, Mikael Lund
Computing molecular thermodynamic properties is instrumental in multiple scientific disciplines, such as statistical physics, N-body simulations, and molecular...
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