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1. Geometrical Relations between Slab Dip and the Location of Volcanic Arcs and Back-arc Spreading Centers

   https://doi.org/10.5281/zenodo.7636704  

   Ha, Goeun; Montési, Laurent G.; Zhu, Wenlu (January 2023, Zenodo)

   The dataset includes the measurements of individual subduction zones defined in the convergence-parallel, trench-perpendicular, and spreading-parallel direction. </p>  </p> Table S3. Location of each trench, arc, and back-arc defined in a direction parallel to the convergence, and the corresponding distance from the trench to the arc (D_TA), subarc slab depth (H), and from the trench to the back-arc spreading center (D_TB). The slab dip is measured at 50km (Dip50), 100km (Dip100), and 200km (Dip200) and averaged from 0 to 50 km (Dip050), 0 to 100km (Dip0100), 0 to 200km (Dip0200), and 50 to 200km (Dip50200). </p> Table S4. Location of each trench, arc, and back-arc defined in a direction perpendicular to the trench, and the corresponding distance from the trench to the arc (D_TA), subarc slab depth (H), and from the trench to the back-arc spreading center (D_TB). The slab dip is measured at 50km (Dip50), 100km (Dip100), and 200km (Dip200) and averaged from 0 to 50 km (Dip050), 0 to 100km (Dip0100), 0 to 200km (Dip0200), and 50 to 200km (Dip50200). </p> Table S5. Location of each trench, arc, and back-arc defined in a direction parallel to the spreading direction, and the corresponding distance from the trench to the arc (D_TA), subarc slab depth (H), and from the trench to the back-arc spreading center (D_TB). The slab dip is measured at 50km (Dip50), 100km (Dip100), and 200km (Dip200) and averaged from 0 to 50 km (Dip050), 0 to 100km (Dip0100), 0 to 200km (Dip0200), and 50 to 200km (Dip50200). </p>  </p> 

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2. Innovative Use of Technologies to Teach Chemical Engineering Core Classes and Laboratories During the Covid-19 Pandemic at an HBCU

   Dua, Rupak (July 2021, 2021 ASEE Virtual Annual Conference Content Access)

   Most chemical engineering core classes are best taught when students are exposed to a face-to-face learning/teaching environment. With the arrival of coronavirus disease 2019 (COVID-19), the whole education system and the setting were disrupted at Hampton University (HU). Traditional in-person face-to-face classes were forced to move to remote instructions to maintain a healthy and safe campus environment and minimize the spread of COVID-19 on campus and in the community. As an instructor teaching core courses and unit operations laboratory in the Department of Chemical Engineering, it was challenging to move completely virtual and deliver instructions remotely without affecting students' learning outcomes. However, with the appropriate modern technologies and adapting to the students' change and needs, online teaching can be done efficiently and can still have efficient learning outcomes. Various activities were introduced to make the online/virtual class environment engaging in developing technical and professional skills and inducing learning for students. Using the latest educational tools and online resources, formative assessments were conducted throughout the course in an effort to improve student learning and instructor teaching. In addition to that, innovative ways of technology were also used to evaluate student learning and understanding of the material for grading and reporting purposes. Many of the modern educational tools, including Blackboard Collaborate Ultra, Ka-hoot, linoit, surveys, polls, and chemical engineering processes’ simulations and videos were in-troduced to make the synchronous sessions interactive. Likert-like surveys conducted were anal-yses to gauge the effectiveness of incorporation of technology during remote learning. This paper describes the innovative use of technologies to adapt to the COVID-19 pandemic in the Chemical Engineering Classes. It will also explain the strategies to assess the mode of delivery efficacy and how to change the course of teaching to adapt to the students' changing needs. 

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3. Molecular docking with Python in Jupyter Notebooks: Towards the development of accessible docking procedures

   Schoneman, Lee; Craig, Paul A (April 2025, ASBMB)

   Molecular docking is a computational technique used to predict ligand binding potential, conformation, and location for a given receptor, and is regarded as an attractive method to use in drug design due to its relatively low computational and monetary cost. However, molecular docking programs tend not to be accessible to novice users. Most docking programs require at least a basic knowledge of command line and computer programming to install and configure the program. Additionally, tutorials for the most commonly used programs tend to be inflexible, requiring a specific molecule or set of molecules to be bound to a specific receptor, and need the installation and usage of other programs or websites to download and prepare structures. To increase general access to molecular docking, basil_dock utilizes a series of easy-to-use Jupyter notebooks that do not assume user familiarity with molecular docking procedures and concepts, requiring little command line usage and software installation. The series includes four notebooks that were created to reflect the different steps in the molecular docking process: (1) the preparation of ligand and protein files prior to docking, (2) the docking of ligands to a protein receptor, (3) analyzing the resulting data and determining how different functional groups in the ligand can affect protein-ligand binding, and (4) identifying essential locations for binding within the ligand and protein. The notebooks enable novice users flexibility and customization in exploring docking procedures and systems, as well as teaching users the basis behind molecular docking without having to leave the environment to obtain information and materials from other applications. The first version of basil_dock allows users to choose from receptors uploaded to the Protein Data Bank and to add additional ligands as desired. Users can then select between the Vina and Smina docking engines and change ligand functional groups to see how the substitution of atom groups affects binding affinity and ligand conformation. The data can then be analyzed to determine residues in the receptor and atom groups in the ligand that are likely to be integral to forming the ligand-protein complex and to discern which ligands are likely to be orally bioactive based on Lipinski’s Rule of Five. From this work, a package of python scripts has been created to streamline the generating, splitting, and writing of ligand files, greatly reducing the number of errors arising from attempting to split a comprehensive ligand file manually. Libraries used in basil_dock include Vina, Smina, RDKit, openbabel, and MDAnalysis. While the package has been designed based off the needs of basil_dock, it has been created to be extensible. Support for this project was provided by NSF 2142033 

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4. Training the Trainers: Preparing Facilitators to Provide Professional Development for Engineers and Scientists

   Luchini-Colbry, Katy; Colbry, Dirk; Briliyanti, Astri; Rojewski, Julie (January 2022, Proceedings of the 2022 ASEE Annual Conference & Exposition)

   This paper describes the development of a facilitator training program that prepares volunteers to offer interactive workshops to build professional skills. This effort to “train the trainers” is part of the CyberAmbassadors workforce development project funded by the National Science Foundation (NSF). The overarching goal of the CyberAmbassadors project is to develop professional skills training that helps participants collaborate more effectively in interdisciplinary settings. The core curriculum for participants includes 20+ hours of materials and activities to build communications, teamwork, and leadership skills. The “train the trainers” project described here is a complementary effort to prepare STEM professionals to facilitate these CyberAmbassadors professional skills trainings for their own workplaces and communities. The facilitator training program was developed and tested with two cohorts, totaling more than 50 participants. Over the course of two days of in-person training, new facilitators had opportunities to experience the core curriculum as participants; to practice facilitation skills and lead group activities; to discuss practical and logistical aspects of offering training in their own communities; and to become familiar with the underlying pedagogy, learning goals, and modular structure of the professional skills curriculum. Surveys were used to collect feedback and evaluate participants’ satisfaction with the CyberAmbassadors professional skills curriculum; their self-assessment of facilitation and professional skills before and after the training; and feedback on the facilitator training experience. Responses from the first cohort of participants were used to refine the facilitator training program and it was offered to a second group of volunteers six months later. In the intervening time, several facilitators from the first cohort implemented CyberAmbassadors trainings at academic institutions, professional conferences, and industry workplaces. Participant surveys were used to provide feedback to the volunteer facilitators and to assist the project coordinators in identifying areas where additional training or support might be helpful. These lessons were used to improve the facilitator training program for the second cohort, and we recruited some of the original volunteers to help lead the second “train the trainers” experience. This approach both provides newer facilitators with additional experience and expands the number of individuals who can “train the trainers” and help to propagate the program for future participants. In addition to describing the experiences and results from this “train the trainers” effort, this paper details the information, planning tools, and supports that are incorporated throughout the CyberAmbassadors professional skills curriculum materials to assist facilitators in offering these trainings. Lessons learned from this project can be adapted to other professional education efforts, both in terms of preparing new instructors and in helping trained facilitators better understand and meet the needs of their audience. 

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5. APLU AAU Accelerating Public Access to Research Data Workshop Report

   https://doi.org/10.31219/osf.io/63mxh  

   Redd, Kacy; Steen, Katie; Nusser, Sarah; Smith, Tobin; Walters, Tyler; Chasen, Jeff; Luther, James; and Reecy, James (August 2019, APLU AAU Accelerating Public Access to Research Data Workshop (2018))

   The Association of Public and Land-grant Universities (APLU) and the Association of American Universities (AAU), with support from the National Science Foundation, convened the Accelerating Public Access to Research Data Workshop on October 29-30, 2018. The purpose of the workshop was to provide a venue for learning, sharing, and planning (campus roadmaps) to support research universities as they create and implement institutional and cross-institutional strategies and systems to provide public access to research data. It also provided a forum for participants to hear from federal agencies concerning their current activities and plans regrading data access. To date, institutional efforts to provide public access to research data have lacked coordination. Additionally, a long-term multi-institutional strategy for data access has been slow to develop due to the complexities of data management and the decentralized nature of the research enterprise. Access to data presents a particularly difficult challenge given the technical knowledge required and the variation in data creation and use across disciplines. While providing the public with access to tax-payer-funded research data is challenging, it will ultimately speed the pace of scientific advancement and innovation and strengthen research integrity. The workshop and report, together with prior and subsequent engagement by APLU and AAU, will help to accelerate public access to research data. 

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