Engineering topics

Rodda, Kabrena E.

Publications and source records attributed to Rodda, Kabrena E..

9 records

DOE OSTI2024

Elucidating the Gas-Phase Behavior of Nitazene Analog Protomers Using Structures for Lossless Ion Manipulations Ion Mobility-Orbitrap Mass Spectrometry

2-benzylbenzimidazoles, or “nitazenes”, are a class of novel synthetic opioids (NSOs) that are increasingly being detected alongside fentanyl analogs and other opioids in drug overdose cases. Nitazenes can be 20x more potent than fentanyl but are not routinely tested for during postmortem or clinical toxicology drug screens; thus, their prevalence in drug overdose cases may be under-reported. Traditional analytical workflows utilizing liquid chromatography-tandem mass spectrometry (LC-MS/MS) often require additional confirmation with authentic reference standards to identify a novel nitazene. However, additional analytical measurements with ion mobility spectrometry (IMS) may provide a path towards reference-free identification, which would greatly accelerate NSO identification rates in toxicology labs. Presented here are the first IMS and collision cross section (CCS) measurements on a set of fourteen nitazene analogs using a Structures for Lossless Ion Manipulations (SLIM)-Orbitrap MS. All nitazenes exhibited two high intensity baseline-separated IMS distributions, which fentanyls and other drug and drug-like compounds also exhibit. Incorporating water into the electrospray ionization (ESI) solution caused the intensities of the higher mobility IMS distributions to increase the intensities of the lower mobility IMS distributions to decrease. Nitazenes lacking a nitro group at the R1 position exhibited the greatest shifts in signal intensities due to water. Furthermore, IMS-MS/MS experiments showed that the higher mobility IMS distributions of all nitazenes produced fragment ions with m/z 72, 100, and other low intensity fragments while the lower mobility IMS distributions only produced fragment ions with m/z 72 and 100. The IMS, solvent, and fragmentation studies provide experimental evidence that nitazenes potentially exhibit three gas-phase protomers. In conclusion, the cyclic IMS capability of SLIM was also employed to partially resolve four sets of structurally similar nitazene isomers (e.g., protonitazene/isotonitazene, butonitazene/isobutonitazene/secbutonitazene), showcasing the potential of using high-resolution IMS separations in MS-based workflows for reference-free identification of emerging nitazenes and other NSOs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Insights from a workplace SARS-CoV-2 specimen collection program, with genomes placed into global sequence phylogeny

In 2020, the Department of Energy established the National Virtual Biotechnology Laboratory (NVBL) to address key challenges associated with COVID-19. As part of that effort, Pacific Northwest National Laboratory (PNNL) established a capability to collect and analyze specimens from employees who self-reported symptoms consistent with the disease. During the spring and fall of 2021, 688 specimens were screened for SARS-CoV-2, with 64 (9.3%) testing positive using reverse-transcriptase quantitative PCR (RT-qPCR). Of these, 36 samples were released for research. All 36 positive samples released for research were sequenced and genotyped. Here, the relationship between patient age and viral load as measured by Ct values was measured and determined to be only weakly significant. Consensus sequences for each sample were placed into a global phylogeny and transmission dynamics were investigated, revealing that the closest relative for many samples was from outside of Washington state, indicating mixing of viral pools within geographic regions.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Tools and Incentives for Implementing Codes of Ethics to Help Prevent the Reemergence of Chemical Weapons

Since the entry into force of the Chemical Weapons Convention (CWC) and the establishment of the Organisation for Prohibition of Chemical Weapons (OPCW) in 1997, 96% of the world’s declared stockpile, comprising 72,305 metric tons of chemical warfare agents have been destroyed. Despite this notable progress, the convergence of chemistry and biology brings new challenges to preventing chemical weapons production, as the technical capability to manipulate the chemistry of microorganisms has diffused beyond the chemical industry and academic research communities. The development and voluntary adoption by chemical practitioners around the world of ethical codes or guidelines, such as The Hague Ethical Guidelines and the Global Chemists’ Code of Ethics (GCCE) , are important steps in strengthening international nonproliferation efforts through their potential to impact the intent of the individual by normalizing ethical behavior. However, the simple act of adopting a code does not guarantee ethical behavior. Care must be taken to ensure those adopting the code understand specifically the behavior being asked of them, and they must be given ample opportunities to practice exercising those behaviors in low-risk situations and encouragement to keep trying when they fail. Furthermore, in small-to-medium chemical companies, concerns that adopting such measures could negatively impact profit margins may dissuade some business owners from voluntarily adopting ethical codes, while a country’s decision makers may not prioritize establishment of new regulatory mechanisms that could address some of these concerns. In this paper, factors that may positively influence a chemical company’s decision to adopt ethical guidelines, such as integration of social sustainability elements into frameworks and approaches to maintain social legitimacy in the eyes of the broader community, are explored. Voluntary adoption of ethical codes gives teeth to arms control regimes. By encouraging chemical companies to become engaged in the community around them and providing easy-to-use tools like scenario-based E-learning to enable remote engagement and facilitate understanding of the principles undergirding the GCCE, they actively participate in making the world a better place and minimizing the potential for reemergence of chemical weapons.

Small Chemical Companies, Codes of Ethics, E-learn↗

DOE OSTI2017

Cyber Deterrence and Stability

Throughout the 20th and early 21st centuries, deterrence and arms control have been cornerstones of strategic stability between the superpowers. However, the weaponization of the cyber realm by State actors and the multipolar nature of cyber conflict now undermines that stability. Strategic stability is the state in which nations believe that if they act aggressively to undermine U.S. national interests and the post-World War II liberal democratic order, the consequences will outweigh the benefits. The sense of lawlessness and lack of consequences in the cyber realm embolden States to be more aggressive in taking actions that undermine stability. Accordingly, this paper examines 1) the role of deterrence and arms control in securing cyber stability, and 2) the limitations and challenges associated with these traditional national security paradigms as applied to this emerging threat domain. This paper demonstrates that many 20th-century deterrence and arms control concepts are not particularly applicable in the cyber realm. However, they are not entirely irrelevant. The United States can distill lessons learned from this rich deterrence and arms control experience to develop and deploy a strategy to advance cyber stability.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Improvement of a Chemical Storage Room Ventilation System

chemistry laboratory↗

DOE OSTI2017

Maintenance and Testing of Fume Cupboard

Scientists at universities across Iraq are actively working to report actual incidents and accidents occurring in their laboratories, as well as structural improvements made to improve safety and security, to raise awareness and encourage openness, leading to widespread adoption of robust Chemical Safety and Security (CSS) practices. This manuscript highlights the importance of periodic maintenance on fume cupboards, and is the fourth in a series of five case studies describing laboratory incidents, accidents, and laboratory improvements. In this study, we describe a situation in which the ventilation capacity of the fume cupboard in the undergraduate chemistry laboratories at Al-Nahrain University had decreased to an unacceptable level. The CSS Committee investigated and found the ducting system had been blocked by plastic sheets and dead birds. All the ducts have since been cleaned, and four extra ventilation fans have been installed to further increase ventilation capacity. By openly sharing what happened along with the lessons learned from the accident, we hope to minimize the possibility of another researcher being injured in a similar incident in the future.

chemistry laboratory↗

DOE OSTI2016

Teaching Laboratory Renovation

Scientists at universities across Iraq are actively working to report actual incidents and accidents occurring in their laboratories, as well as structural improvements made to improve safety and security, to raise awareness and encourage openness, leading to widespread adoption of robust Chemical Safety and Security (CSS) practices. The improvement of students’ understanding of concepts in science and its applications, practical scientific skills and understanding of how science and scientists work in laboratory experiences have been considered key aspects of education in science for over 100 years. Facility requirements for the necessary level of safety and security combined with specific requirements relevant to the course to be conducted dictate the structural design of a particular laboratory, and the design process must address both. This manuscript is the second in a series of five case studies describing laboratory incidents, accidents, and laboratory improvements. We summarize the process used to guide a major renovation of the chemistry instructional laboratory facilities at Al-Nahrain University and discuss lessons learned from the project.

chemistry laboratory↗

DOE OSTI2016

Laboratory biological safety cabinet (BSC) explosion

Scientists at universities across Iraq are actively working to report actual incidents and accidents occurring in their laboratories in order to raise awareness and encourage openness, leading to widespread adoption of robust Chemical Safety and Security (CSS) practices. This manuscript is the first in a series of five case studies describing laboratory incidents and accidents in Iraqi university laboratories in order to share lessons learned and minimize the possibility of similar incidents in the future. In this study, we describe a serious event that resulted in a postgraduate student sustaining serious injuries when the biological safety cabinet (BSC) she was using exploded. Of particular note, the paper highlights how a combination of failures and deficiencies at many levels within an organization and its technical community (rather than a single piece of faulty equipment or the careless behavior of one person) can lead to a dangerous, potentially life-threatening incident. By openly sharing what happened along with the lessons learned from the accident, we hope to minimize the possibility of another researcher being injured in a similar incident in the future.

biological safety cabinet↗

DOE OSTI2016

Fire and Explosion Hazards Expected in a Laboratory

Scientists at universities across Iraq are actively working to report actual incidents and accidents occurring in their laboratories, as well as structural improvements made to improve safety and security, to raise awareness and encourage openness, leading to widespread adoption of robust Chemical Safety and Security (CSS) practices. This manuscript is the fifth in a series of five case studies describing laboratory incidents, accidents, and laboratory improvements. In this study, we summarize unsafe practices involving the improper installation of a Gas Chromatograph (GC) at an Iraqi university which, if not corrected, could have resulted in a dangerous fire and explosion. We summarize the identified infractions and highlight lessons learned. Here, by openly sharing the experiences at the university involved, we hope to minimize the possibility of another researcher being injured due to similarly unsafe practices in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗