Digital Commons Network^™

Ai Is A Viable Alternative To High Throughput Screening: A 318-Target Study, Izhar Wallach, Denzil Bernard, Kong Nguyen, Gregory Ho, Adrian Morrison, Adrian Stecula, Andreana Rosnik, Ann Marie O'Sullivan, Aram Davtyan, Ben Samudio, Bill Thomas, Brad Worley, Brittany Butler, Christian Laggner

Chemistry Faculty Research & Creative Works

High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, …

Esg Ratings In The Mining Industry: Factors And Implications, Mahelet G. Fikru, Jennifer Brodmann, Lili Eng, J. Andrew Grant

Economics Faculty Research & Creative Works

While previous research explores the relationship between ESG ratings, firm size, and financial outcomes, there is a lack of comprehensive analysis comparing multiple ESG ratings within the mining industry. This gap is crucial given the increasing focus on ESG in mining operations and its potential impact on company performance. Based on proprietary financial and ESG ratings data from 200 mining companies, this study investigates the relationship between two different ESG ratings and firm characteristics. We compare ESG-rated firms with unrated firms in terms of firm size, and financial performance indicators, and explore country-level patterns in ESG ratings. Findings reveal that …

A Strategic Insight Into The Market For Carbon Management Capacity, Mahelet G. Fikru, Ting Shen, Jennifer Brodmann, Hongyan Ma

Economics Faculty Research & Creative Works

This study presents the market for carbon management capacity via carbon capture, utilization, and storage technologies, identifying demand and supply forces, as well as clarifying the potential impact of market and non-market-based shocks on technology developers versus adopters. The paper addresses a prevailing gap in market analysis, introducing a microeconomic framework and unique dataset to identify key players, market forces, and policy incentives shaping the carbon capture, utilization, and storage landscape. The analysis equips industry stakeholders, policymakers, and investors with valuable insights regarding (1) leaders in the design, development, and manufacture of carbon capture, utilization, and storage technologies (supply), (2) …

Thermal Conductivity Characterization Of High Oleic Vegetable Oils Based Hybrid Nanofluids Formulated Using Gnp, Tio2, Mos2, Al2o3 Nanoparticles For Mql Machining, Anthony Chukwujekwu Okafor, Tobechukwu Kingsley Abor, Saidanvar Esanjonovich Valiev, Ignatius Echezona Ekengwu, Abiodun Saka, Monday Uchenna Okoronkwo

Mechanical and Aerospace Engineering Faculty Research & Creative Works

This paper presents the results of thermal conductivity characterization of six high oleic soybean oil (HOSO) and four high oleic canola oil (HOCO)-based hybrid nanofluids formulated with four types of nanoparticles (Graphene nanoplatelet (xGnP), TiO2, MoS2, and Al2O3) at nanoparticles wt.% concentration from 1 % to 7 % in 1 % increment using the two-step method for use in MQL machining of difficult-to-cut metals. Thermal conductivity of the formulated hybrid nanofluids were measured using Thermtest Transient Hot Wire Liquid Thermal Conductivity Meter at temperatures from 25 °C to 75 °C in increment of 10 °C. Obtained results showed that thermal …

Experimental Evaluation Of A Recrosslinkable Co2-Resistant Micro-Sized Preformed Particle Gel For Co2 Sweep Efficiency Improvement In Reservoirs With Super-K Channels, Adel Alotibi, Tao Song, Ali Al Brahim, Baojun Bai, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

A recross linkable CO₂-resistant branched preformed particle gel (CO₂-BRPPG) was developed for controlling CO₂ injection conformance, particularly in reservoirs with super-permeable channels. Previous work focused on a millimeter-sized CO₂-BRPPG in open fractures, but its performance in high-permeability channels with pore throat networks remained unexplored. This study used a sand pack model to evaluate a micro-sized CO₂-BRPPG under varying conditions of salinity, gel concentration, and pH. at ambient conditions, the equilibrium swelling ratio (ESR) of the gel reached 76 times its original size. This ratio decreased with increasing salinity but remained stable …

Fitting Quality Of Nmr Relaxation Data To Differentiate Asphalt Binders, Rebecca M. Herndon, Kevin Lai, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt binder performance grades (PGs) are important metrics in designing pavements for effective transportation infrastructure. the PG system relies on the binder's stiffness and is determined through energy- and time-intensive physical testing. Physical properties, like stiffness, can also be determined by spin–lattice NMR relaxometry, a non-destructive chemical method. NMR relaxometry can quantify the molecular mobility of materials by determining relaxation times from exponential decays of excited nuclear magnetization. While relaxation times have been used to determine physical properties of materials, a quantitative relation to the PG grades of asphalt binder is yet to be established. in this study, T1 NMR …

Type Ii Innate Lymphoid Cell Plasticity Contributes To Impaired Reconstitution After Allogeneic Hematopoietic Stem Cell Transplantation, Sonia J. Laurie, Joseph P. Foster, Danny W. Bruce, Hemamalini Bommiasamy, Oleg V. Kolupaev, Mostafa Yazdimamaghani, Samantha G. Pattenden, Nelson J. Chao, Stefanie Sarantopoulos, Joel S. Parker, Ian J. Davis, Jonathan S. Serody

Chemical and Biochemical Engineering Faculty Research & Creative Works

Type II innate lymphoid cells (ILC2s) maintain homeostasis and barrier integrity in mucosal tissues. In both mice and humans, ILC2s poorly reconstitute after allogeneic hematopoietic stem cell transplantation (allo-HSCT). Determining the mechanisms involved in their impaired reconstitution could improve transplant outcomes. By integrating single-cell chromatin and transcriptomic analyses of transplanted ILC2s, we identify a previously unreported population of converted ILC1-like cells in the mouse small intestine post-transplant. Exposure of ILC2s to proinflammatory cytokines resulted in a mixed ILC1-ILC2 phenotype but was able to convert only a small population of ILC2s to ILC1s, which were found post-transplant. Whereas ILC2s protected against …

The Bridge Newsletter Winter 2024, Missouri University Of Science And Technology

The Bridge Newsletter

• TED x Missouri S&T: Unveiling Resilience
• ElGawady named interim chair
• Ma named inaugural Kummer Impact Professor
• Sensor patent granted
• Burken awarded ASCE President’s Medal

Estimating The Possible Qpos Of M87* From The Parameters Of A Hairy Kerr Black Hole, Orhan Donmez, Fatih Dogan

Materials Science and Engineering Faculty Research & Creative Works

In this paper, we study the dynamics of the shock cone formed around a hairy Kerr black hole due to Bondi– Hoyle–Lyttleton (BHL) accretion and investigate the quasi-periodic oscillations (QPO) behaviors resulting from the black hole-cone interaction, aiming to predict the QPO frequencies that may occur around the M87∗ black hole. To achieve this, we use the hairy Kerr black hole parameters consistent with the observed shadow parameters of M87∗ as initial conditions in numerical simulations, revealing the structure of the resulting shock cone and QPOs in a strong gravitational field. Numerical calculations show that the deviation of …

Dual Nature Of Magnetism Driven By Momentum Dependent F-D Kondo Hybridization, Byungkyun Kang, Yongbin Lee, Liqin Ke, Hyunsoo Kim, Myoung Hwan Kim, Chul Hong Park

Physics Faculty Research & Creative Works

The intricate nature of magnetism in uranium-based Kondo lattices is a consequence of correlations between U-5f and conduction electrons. Previously, the source of magnetism has been ascribed to either Mott physics or Ruderman-Kittel-Kasuya-Yosida interaction, both of which are not fully applicable to uranium-based Kondo lattices. Using linearized quasiparticle self-consistent GW plus dynamical mean-field theory, we demonstrate a crossover from incoherent to coherent f-d Kondo cloud in the paramagnetic phase of UTe₂, USbTe and USbSe. As the transition occurs, we observe an augmented f-d coherence and Pauli-like magnetic susceptibility, with a substantial frozen magnetic moment of U-5f persisting. We …

The Palaeoclimate Potential Of Continental Scientific Drilling, Jonathan Obrist-Farner, Lesleigh Anderson, Paul Baker, Melissa A. Berke, Emily J. Beverly, Julie Brigham-Grette, Erik Brown, Isla S. Castañeda, Alan L. Deino, Sherilyn C. Fritz, Steven L. Goldstein, Natalie M. Kehrwald, Matthew Kirby, Kenneth G. Miller

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

No abstract provided.

Hafnium Oxide Coating To Improve The Oxidation Behavior Of Zirconium Diboride, Jan E. Förster, William G. Fahrenholtz, Gregory E. Hilmas, Ravisankar Naraparaju

Materials Science and Engineering Faculty Research & Creative Works

Hafnium dioxide (HfO₂) coatings were successfully deposited on zirconium diboride (ZrB₂) using reactive magnetron sputtering. After the oxidation at 1500°C or 1600°C, the mutual dissolution of HfO₂ and thermally grown ZrO₂ was observed which has resulted in the formation of a mixed oxide zone. As the enrichment of the mixed oxide zone by ZrO₂ progresses, monoclinic/tetragonal phase transition temperature of ∼1790°C for nominally pure HfO₂ moves towards ∼1500 °C. Finally, the inevitable phase transition from monoclinic to tetragonal structure results in the development of cracks, pores, and gaps within the mixed oxide …

Machine Learned Interatomic Potentials For Ternary Carbides Trained On The Aflow Database, Josiah Roberts, Biswas Rijal, Simon Divilov, Jon Paul Maria, William G. Fahrenholtz, Douglas E. Wolfe, Donald W. Brenner, Stefano Curtarolo, Eva Zurek

Materials Science and Engineering Faculty Research & Creative Works

Large-density functional theory (DFT) databases are a treasure trove of energies, forces, and stresses that can be used to train machine-learned interatomic potentials for atomistic modeling. Herein, we employ structural relaxations from the AFLOW database to train moment tensor potentials (MTPs) for four carbide systems: CHfTa, CHfZr, CMoW, and CTaTi. The resulting MTPs are used to relax ~6300 random symmetric structures and are subsequently improved via active learning to generate robust potentials (RP) that can relax a wide variety of structures, and accurate potentials (AP) designed for the relaxation of low-energy systems. This protocol is shown to yield convex hulls …

A General Model For The Ductility Of Intermetallics Applied To Fe-Co Alloys, Wesley Everhart, Joseph Newkirk

Materials Science and Engineering Faculty Research & Creative Works

The mechanical properties, specifically ductility, of high performing soft magnets such as Fe-Co alloys are a limiting factor to their broader use in a number of systems. The understanding of the mechanical robustness in these materials is currently insufficient to be able to support the growing interest in applications such as magnetic shielding or electric motors. Fe-Co alloys provide the highest commercially available magnetic saturation and high magnetic permeability but have very poor ductility. The addition of vanadium to these alloys has allowed for significant commercialization and some ductility improvements, but the fundamental reasons for the observed improvements are not …

Observation Of Dense Collisional Soliton Complexes In A Two-Component Bose-Einstein Condensate, Sean M. Mossman, Garyfallia C. Katsimiga, Simeon I. Mistakidis, Alejandro Romero-Ros, Thomas M. Bersano, Peter Schmelcher, Panayotis G. Kevrekidis, Peter Engels

Physics Faculty Research & Creative Works

Solitons Are Nonlinear Solitary Waves Which Maintain their Shape over Time and through Collisions, Occurring in a Variety of Nonlinear Media from Plasmas to Optics. We Present an Experimental and Theoretical Study of Hydrodynamic Phenomena in a Two-Component Atomic Bose-Einstein Condensate Where a Soliton Array Emerges from the Imprinting of a Periodic Spin Pattern by a Microwave Pulse-Based Winding Technique. We Observe the Ensuing Dynamics Which Include Shape Deformations, the Emergence of Dark-Antidark Solitons, Apparent Spatial Frequency Tripling, and Decay and Revival of Contrast Related to Soliton Collisions. for the Densest Arrays, We Obtain Soliton Complexes Where Solitons Undergo Continued …

Publisher Correction: Observation Of Dense Collisional Soliton Complexes In A Two-Component Bose-Einstein Condensate (Communications Physics, (2024), 7, 1, (163), 10.1038/S42005-024-01659-W), Sean M. Mossman, Garyfallia C. Katsimiga, Simeon I. Mistakidis, Alejandro Romero-Ros, Thomas M. Bersano, Peter Schmelcher, Panayotis G. Kevrekidis, Peter Engels

Physics Faculty Research & Creative Works

In the first paragraph of the Methods section, the sentence "We begin with an elongated BEC of approximately 9 x 10587Rb atoms…," has erroneously been written without a space between the two superscripts "5" and "87". This has now been corrected in both the HTML and PDF of the article, and the same expression reads: We begin with an elongated BEC of approximately 9 x 105 87Rb atoms…"

Author Correction: Dual Nature Of Magnetism Driven By Momentum Dependent F-D Kondo Hybridization (Communications Physics, (2024), 7, 1, (186), 10.1038/S42005-024-01631-8), Byungkyun Kang, Yongbin Lee, Liqin Ke, Hyunsoo Kim, Myoung Hwan Kim, Chul Hong Park

Physics Faculty Research & Creative Works

Correction to: Communications Physicshttps://doi.org/10.1038/s42005-024-01631-8, published online 12 June 2024 In this article the grant number DE-AC02-07CH11358 relating to Ames National Laboratory was omitted. The original article has been corrected.

Publisher Correction: Observation Of Dense Collisional Soliton Complexes In A Two-Component Bose-Einstein Condensate (Communications Physics, (2024), 7, 1, (163), 10.1038/S42005-024-01659-W), Sean M. Mossman, Garyfallia C. Katsimiga, Simeon I. Mistakidis, Alejandro Romero-Ros, Thomas M. Bersano, Peter Schmelcher, Panayotis G. Kevrekidis, Peter Engels

Physics Faculty Research & Creative Works

In the first paragraph of the Methods section, the sentence "We begin with an elongated BEC of approximately 9 x 10587Rb atoms…," has erroneously been written without a space between the two superscripts "5" and "87". This has now been corrected in both the HTML and PDF of the article, and the same expression reads: We begin with an elongated BEC of approximately 9 x 105 87Rb atoms…"

Density Effects On The Interferometry Of Efimov States By Modulating Magnetic Fields, G. Bougas, S. I. Mistakidis, P. Giannakeas

Physics Faculty Research & Creative Works

Dynamical association of Efimov trimers in thermal gases by means of modulated magnetic fields has proven very fruitful in determining the binding energy of trimers. The latter was extracted from the number of remaining atoms, which featured oscillatory fringes stemming from the superposition of trimers with atom-dimers. Subsequent theoretical investigations utilizing the time-dependent three-body problem revealed additional association mechanisms, manifested as superpositions of the Efimov state with the trap states and the latter with atom-dimers. The three atoms were initialized in a way to emulate a thermal gas with uniform density. Here, this analysis is extended by taking into account …

Multiphoton-Dressed Rydberg Excitations In A Microwave Cavity With Ultracold Rb Atoms, J. D.Massayuki Kondo, Seth T. Rittenhouse, Daniel Varela Magalhaes, Vasil Rokaj, S. I. Mistakidis, H. R. Sadeghpour, Luis Gustavo Marcassa

Physics Faculty Research & Creative Works

We investigate magneto-optical trap-loss spectroscopy of Rydberg excited Rb85 (66≤n≤68S1/2) atoms, placed inside a tailored microwave cavity. The cavity frequency at 13.053 GHz is in resonance with the 67S1/2→66P3/2 transition, inducing a ladder multiphoton microwave Rydberg absorption and emission. The observed spectra are modeled with an extended Jaynes-Cummings formalism that accounts for nonlinear multiphoton absorption from and emission into the cavity, the loss from the trap due to Rydberg excitation, and cavity imperfection. We calculate the average photons in each spectral feature and find evidence for fractional photon emission into the cavity modes within the loss spectra. The microwave cavity …

Assessing The Predictive Validity Of Expectancy Theory For Academic Performance, Vahe Permzadian, Ting Shen

Psychological Science Faculty Research & Creative Works

Background: Despite expectancy theory's widespread appeal and influence as a framework for motivation in organizational and educational settings, studies that have examined the theory's validity for performance-based outcomes, particularly with academic performance as the criterion, have been characterized by inconsistent results. Given numerous methodological concerns associated with past studies (e.g., prevalence of between-person rather than within-person design), we examined the predictive validity of expectancy theory for academic performance using methods that were consistent with the theory's original conceptualization. Additionally, we assessed the validity of the theory for students' study effort. Methods: The final sample included 123 undergraduate students who reported …

Nodal Superconductivity In Miassite Rh17s15, Hyunsoo Kim, Makariy A. Tanatar, Marcin Kończykowski, Romain Grasset, Udhara S. Kaluarachchi, Serafim Teknowijoyo, Kyuil Cho, Aashish Sapkota, John M. Wilde, Matthew J. Krogstad, Sergey L. Bud'ko, Philip M.R. Brydon, Paul C. Canfield, Ruslan Prozorov

Physics Faculty Research & Creative Works

Solid state chemistry has produced a plethora of materials with properties not found in nature. For example, high-temperature superconductivity in cuprates is drastically different from the superconductivity of naturally occurring metals and alloys and is frequently referred to as unconventional. Unconventional superconductivity is also found in other synthetic compounds, such as iron-based and heavy-fermion superconductors. Here, we report compelling evidence of unconventional nodal superconductivity in synthetic samples of Rh₁₇S₁₅ (Tc = 5.4 K), which is also found in nature as the mineral miassite. We investigated the temperature-dependent variation of the London penetration depth Δλ(T) and the disorder …

Optimisation Of Open Pit Slope Design Considering Groundwater Effects Using Particle Swarm Optimisation And Scaled Boundary Finite Element Method, Dakshith Ruvin Wijesinghe, Ethmadalage Perera, Ean Hin Ooi, Sundararajan Natarajan, Taghi Sherizadeh, Ean Tat Ooi

Mining Engineering Faculty Research & Creative Works

Slopes are a crucial structure in open pit mines. Their design has implications on the economic, safety and environmental operation of the mining industry. Designing stable slopes can be challenging due to the complexities introduced by the stratigraphy and hydrology of the strata. With rising commodity costs and inflation rates, mining operating costs are increasing. Reducing operational costs is necessary for mining industries to remain competitive. While steepening the pit slope can decrease stripping materials and save money, it also increases the risk associated with slope surges. Therefore, optimizing slopes is crucial for both financial and safety reasons. Numerical models …

Harmonizing Vaccine And Infrastructure Development To Tame Cholera Outbreaks Across Africa, Amira Mohamed Taha, Hussam Mahmoud, Emad M. Hassan, Mohamed M. Ghonaim

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Vaccines and clean water shortages continue to give rise to cholera outbreaks in Africa. Coordinated efforts to increase vaccine distribution and improve physical infrastructure are needed while considering future outbreaks and water demands due to conflicts and climate events.

Impact Of Electrical Testing Strategies On The Performance Metrics Of Bio-Organic-Based Resistive Switching Memory, Muhammad Awais, Hao Zhe Leong, Nadras Othman, Mohamad Danial Shafiq, Feng Zhao, Kuan Yew Cheong

Electrical and Computer Engineering Faculty Research & Creative Works

Resistive Random-Access Memory (ReRAM) is considered as one of the most promising non-volatile memory technologies because of its high scalability, fast switching speed, and low power consumption. While many review papers are focused on investigating material types, material properties, device fabrication methods, and device structures, the influence of electrical testing strategies on ReRAM performance has yet been reviewed, particularly for bio-organic-based ReRAM. This review compiled, analyzed, and discussed how compliance current, voltage sweep rate, voltage sweep range, and voltage sweeping direction affect the ON/OFF ratio, read memory window, and both SET and RESET voltages of ReRAM.

Assessing The Critical Factors Influencing Worker Safety In Roadway Work Zones, Bahaa Chammout, Muaz O. Ahmed, Islam El-Adaway

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Ongoing roadway construction and maintenance activities are essential for sustaining and improving infrastructure. Nonetheless, work zones in the United States continue to experience concerning frequencies of occupational and traffic accidents. Previous research highlighted multiple factors influencing work zone safety, yet their relative impact and importance remain unclear. This study addresses this gap following a multistep methodology. First, 32 safety factors were identified through an extensive literature review in a previous study. Second, a survey was administered among 298 professionals from diverse backgrounds, with an average of 17.75 years of construction experience and 13.78 years of work zone experience, to assess …

An Economic Framework For Assessing The Impact Of Domestic Mining Policies On Affordable Energy Transition, Mahelet G. Fikru

Economics Faculty Research & Creative Works

The global transition towards sustainable energy sources necessitates a delicate balance between incentivizing domestic mineral inputs and ensuring affordable energy transition. This paper investigates a diverse set of policies aimed at promoting domestic mining and their implications for achieving an affordable energy transition. Through a comprehensive economic framework, we analyze the effects of demand and supply-side policies on import reliance, production costs, and the overall progress of the energy transition. By examining various scenarios and their outcomes, we provide insights into the potential challenges and opportunities associated with designing mineral policies that facilitate both domestic mining growth and affordable clean …

Thermal Conductivity Characterization Of High Oleic Vegetable Oils Based Hybrid Nanofluids Formulated Using Gnp, Tio2, Mos2, Al2o3 Nanoparticles For Mql Machining, Anthony Chukwujekwu Okafor, Tobechukwu Kingsley Abor, Saidanvar Esanjonovich Valiev, Ignatius Echezona Ekengwu, Abiodun Saka, Monday Uchenna Okoronkwo

Chemical and Biochemical Engineering Faculty Research & Creative Works

This paper presents the results of thermal conductivity characterization of six high oleic soybean oil (HOSO) and four high oleic canola oil (HOCO)-Based hybrid nanofluids formulated with four types of nanoparticles (Graphene nanoplatelet (xGnP), TiO₂, MoS₂, and Al₂O₃) at nanoparticles wt.% concentration from 1 % to 7 % in 1 % increment using the two-step method for use in MQL machining of difficult-to-cut metals. Thermal conductivity of the formulated hybrid nanofluids were measured using Thermtest Transient Hot Wire Liquid Thermal Conductivity Meter at temperatures from 25 °C to 75 °C in increment …

Elucidating The Significant Roles Of Root Exudates In Organic Pollutant Biotransformation Within The Rhizosphere, Michael O. Eze, Chinedu F. Amuji

Chemistry Faculty Research & Creative Works

Biotransformation of organic pollutants is crucial for the dissipation of environmental pollutants. While the roles of microorganisms have been extensively studied, the significant contribution of various root exudates are still not very well understood. Through plant growth experiment, coupled with gas and liquid chromatography-mass spectrometry methods, this study examined the effect of the presence of M. sativa on microbial-associated biochemical transformation of petroleum hydrocarbons. The results of this study revealed that the concentration of exudates within the soil matrix is a function of proximity to root surfaces. Similarly, biodegradation was found to correlate with distance from roots, ranging from ≥ …

A Fiber Optics Based Surface Enhanced Raman Spectroscopy Sensor For Chemical And Biological Sensing, Jiayu Liu, Bohong Zhang, Amjed Abdullah, Sura A. Muhsin, Jie Huang, Mahmoud Almasri

Electrical and Computer Engineering Faculty Research & Creative Works

This paper investigates an innovative surface-enhanced Raman scattering (SERS) sensor developed on a side-polished multimode optical fiber core. The optical fiber was integrated into specifically designed 3-dimensional printed mold, where manual polishing of the fiber took place. Microsphere Photolithography (MPL) techniques was employed to pattern periodic nanoantenna arrays on the polished surface, incorporating multiple disk diameters at a fixed periodicity. Subsequent gold deposition/lift-off were carried out to transfer the pattern from the photoresist to the fiber core, resulting in highly periodic hexagonal closed pack (HCP) arrays of nano disks. These arrays can significantly enhance the SERS signal intensity compared to …