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Articles 781 - 810 of 6056

Full-Text Articles in Physical Sciences and Mathematics

Communicating Uncertain Information From Deep Learning Models In Human Machine Teams, Harishankar V. Subramanian, Casey I. Canfield, Daniel Burton Shank, Luke Andrews, Cihan H. Dagli Oct 2020

Communicating Uncertain Information From Deep Learning Models In Human Machine Teams, Harishankar V. Subramanian, Casey I. Canfield, Daniel Burton Shank, Luke Andrews, Cihan H. Dagli

Engineering Management and Systems Engineering Faculty Research & Creative Works

The role of human-machine teams in society is increasing, as big data and computing power explode. One popular approach to AI is deep learning, which is useful for classification, feature identification, and predictive modeling. However, deep learning models often suffer from inadequate transparency and poor explainability. One aspect of human systems integration is the design of interfaces that support human decision-making. AI models have multiple types of uncertainty embedded, which may be difficult for users to understand. Humans that use these tools need to understand how much they should trust the AI. This study evaluates one simple approach for communicating …


Corrigendum To “Biosynthesis Of Desferrioxamine Siderophores Initiated By Decarboxylases: A Functional Investigation Of Two Lysine/Ornithine-Decarboxylases From Gordonia Rubripertincta Cwb2 And Pimelobacter Simplex Vkm Ac-2033d” [Arch. Biochem. Biophys. 689 (2020) 108429] (Archives Of Biochemistry And Biophysics (2020) 689, (S0003986120304380), (10.1016/J.Abb.2020.108429)), Marika Hofmann, Julia S. Martin Del Campo, Pablo Sobrado, Dirk Tischler Oct 2020

Corrigendum To “Biosynthesis Of Desferrioxamine Siderophores Initiated By Decarboxylases: A Functional Investigation Of Two Lysine/Ornithine-Decarboxylases From Gordonia Rubripertincta Cwb2 And Pimelobacter Simplex Vkm Ac-2033d” [Arch. Biochem. Biophys. 689 (2020) 108429] (Archives Of Biochemistry And Biophysics (2020) 689, (S0003986120304380), (10.1016/J.Abb.2020.108429)), Marika Hofmann, Julia S. Martin Del Campo, Pablo Sobrado, Dirk Tischler

Chemistry Faculty Research & Creative Works

The authors regret that mistakenly the wrong strain was named in the article title. The decarboxylase gene psdesA originates from Pimelobacter simplex VKM Ac-2033D, not from Pimelobacter simplex 3E. The authors would like to apologize for any inconvenience caused.


Evidence For Target Outer-Shell Excitation Mediated By Electron Correlation In Single-Electron-Capture Collisions Of Slow He²⁺ Ions With Ar Atoms, Z. Y. Song, X. C. Wang, Z. W. Li, K. L. Han, Daniel Fischer Oct 2020

Evidence For Target Outer-Shell Excitation Mediated By Electron Correlation In Single-Electron-Capture Collisions Of Slow He²⁺ Ions With Ar Atoms, Z. Y. Song, X. C. Wang, Z. W. Li, K. L. Han, Daniel Fischer

Physics Faculty Research & Creative Works

We have performed kinematically complete experiments on single-electron capture in slow He2+-Ar collisions. Besides the pure capture to the He+ (n = 2) level, capture into the deep He+ ( n= 1) state with simultaneous excitation of another target electron is also observed. In contrast to the pure capture, the total cross section for this two-electron transition decreases with increasing collision energy, and its angular-differential cross section exhibits a much slighter slope. We take these observations as evidence for electron capture mediated by electron-electron interactions.


Competition Between Solvent-Solvent And Solvent-Solute Interactions In The Microhydration Of The Hexafluorophosphate Anion, Pf6⁻(H2o)N=1,2, Yasmeen A. Abdo, Gregory S. Tschumper Oct 2020

Competition Between Solvent-Solvent And Solvent-Solute Interactions In The Microhydration Of The Hexafluorophosphate Anion, Pf6⁻(H2o)N=1,2, Yasmeen A. Abdo, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

This study systematically examines the interactions of the hexafluorophosphate anion (PF6-) with one or two solvent water molecules (PF6-(H2O)n where n = 1, 2). Full geometry optimizations and subsequent harmonic vibrational frequency computations are performed on each stationary point using a variety of common density functional theory methods (B3LYP, B3LYP-D3, M06-2X, and ωB97XD) and the MP2 and CCSD(T) ab initio methods with a triple-ζ correlation consistent basis set augmented with diffuse functions on all non-hydrogen atoms (cc-pVTZ for H and aug-cc-pVTZ for P, O, and F; denoted as haTZ). Five new stationary …


Fluctuations And Correlations Of Transmission Eigenchannels In Diffusive Media, Nicholas Bender, Alexey Yamilov, Hasan Yllmaz, Hui Cao Oct 2020

Fluctuations And Correlations Of Transmission Eigenchannels In Diffusive Media, Nicholas Bender, Alexey Yamilov, Hasan Yllmaz, Hui Cao

Physics Faculty Research & Creative Works

Selective excitation of a diffusive system's transmission eigenchannels enables manipulation of its internal energy distribution. The fluctuations and correlations of the eigenchannel's spatial profiles, however, remain unexplored so far. Here we show that the depth profiles of high-transmission eigenchannels exhibit low realization-to-realization fluctuations. Furthermore, our experimental and numerical studies reveal the existence of interchannel correlations, which are significant for low-transmission eigenchannels. Because high-transmission eigenchannels are robust and independent from other eigenchannels, they can reliably deliver energy deep inside turbid media.


Adaptive Multimodal Fusion For Facial Action Units Recognition, Huiyuan Yang, Taoyue Wang, Lijun Yin Oct 2020

Adaptive Multimodal Fusion For Facial Action Units Recognition, Huiyuan Yang, Taoyue Wang, Lijun Yin

Computer Science Faculty Research & Creative Works

Multimodal facial action units (AU) recognition aims to build models that are capable of processing, correlating, and integrating information from multiple modalities (i.e., 2D images from a visual sensor, 3D geometry from 3D imaging, and thermal images from an infrared sensor). Although the multimodal data can provide rich information, there are two challenges that have to be addressed when learning from multimodal data: 1) the model must capture the complex cross-modal interactions in order to utilize the additional and mutual information effectively; 2) the model must be robust enough in the circumstance of unexpected data corruptions during testing, in case …


Cusz: An Efficient Gpu-Based Error-Bounded Lossy Compression Framework For Scientific Data, Jiannan Tian, Sheng Di, Kai Zhao, Cody Rivera, Megan Hickman Fulp, Robert Underwood, Sian Jin, Xin Liang, For Full List Of Authors, See Publisher's Website. Sep 2020

Cusz: An Efficient Gpu-Based Error-Bounded Lossy Compression Framework For Scientific Data, Jiannan Tian, Sheng Di, Kai Zhao, Cody Rivera, Megan Hickman Fulp, Robert Underwood, Sian Jin, Xin Liang, For Full List Of Authors, See Publisher's Website.

Computer Science Faculty Research & Creative Works

Error-bounded lossy compression is a state-of-the-art data reduction technique for HPC applications because it not only significantly reduces storage overhead but also can retain high fidelityfor postanalysis. Because supercomputers and HPC applicationsare becoming heterogeneous using accelerator-based architectures,in particular GPUs, several development teams have recently released GPU versions of their lossy compressors. However, existingstate-of-the-art GPU-based lossy compressors suffer from eitherlow compression and decompression throughput or low compression quality. In this paper, we present an optimized GPU version,cuSZ, for one of the best error-bounded lossy compressors-SZ.To the best of our knowledge, cuSZ is the first error-boundedlossy compressor on GPUs for scientific data. …


An Explainable And Statistically Validated Ensemble Clustering Model Applied To The Identification Of Traumatic Brain Injury Subgroups, Dacosta Yeboah, Louis Steinmeister, Daniel B. Hier, Bassam Hadi, Donald C. Wunsch, Gayla R. Olbricht, Tayo Obafemi-Ajayi Sep 2020

An Explainable And Statistically Validated Ensemble Clustering Model Applied To The Identification Of Traumatic Brain Injury Subgroups, Dacosta Yeboah, Louis Steinmeister, Daniel B. Hier, Bassam Hadi, Donald C. Wunsch, Gayla R. Olbricht, Tayo Obafemi-Ajayi

Electrical and Computer Engineering Faculty Research & Creative Works

We present a framework for an explainable and statistically validated ensemble clustering model applied to Traumatic Brain Injury (TBI). The objective of our analysis is to identify patient injury severity subgroups and key phenotypes that delineate these subgroups using varied clinical and computed tomography data. Explainable and statistically-validated models are essential because a data-driven identification of subgroups is an inherently multidisciplinary undertaking. In our case, this procedure yielded six distinct patient subgroups with respect to mechanism of injury, severity of presentation, anatomy, psychometric, and functional outcome. This framework for ensemble cluster analysis fully integrates statistical methods at several stages of …


Ejected-Electron-Energy And Angular Dependence Of Fully Differential Ionization Cross Sections In Medium-Velocity Proton Collisions With He And H₂, M. Dhital, S. Bastola, A. Silvus, J. Davis, B. R. Lamichhane, E. Ali, M. F. Ciappina, R. Lomsadze, A. Hasan, Don H. Madison, Michael Schulz Sep 2020

Ejected-Electron-Energy And Angular Dependence Of Fully Differential Ionization Cross Sections In Medium-Velocity Proton Collisions With He And H₂, M. Dhital, S. Bastola, A. Silvus, J. Davis, B. R. Lamichhane, E. Ali, M. F. Ciappina, R. Lomsadze, A. Hasan, Don H. Madison, Michael Schulz

Physics Faculty Research & Creative Works

We have measured fully momentum-analyzed recoiling target ions and scattered projectiles, produced in ionization of He and H2 by 75 keV proton impact, in coincidence. The momentum of the ejected electrons was deduced from momentum conservation. From the data we extracted fully differential ionization cross sections as a function of the polar electron emission angle (for fixed electron energies) and as a function of the electron energy (for fixed electron emission angles). Comparison between experiment and various distorted wave calculations confirms that under kinematic conditions where the post-collision interaction plays an important role, the few-body dynamics underlying the ionization …


Trapping Conformational States Of A Flavin-Dependent N-Monooxygenase In Crystallo Reveals Protein And Flavin Dynamics, Ashley C. Campbell, Kyle M. Stiers, Julia S. Martin Del Campo, Ritcha Mehra-Chaudhary, Pablo Sobrado, John J. Tanner Sep 2020

Trapping Conformational States Of A Flavin-Dependent N-Monooxygenase In Crystallo Reveals Protein And Flavin Dynamics, Ashley C. Campbell, Kyle M. Stiers, Julia S. Martin Del Campo, Ritcha Mehra-Chaudhary, Pablo Sobrado, John J. Tanner

Chemistry Faculty Research & Creative Works

The siderophore biosynthetic enzyme A (SidA) ornithine hydroxylase from Aspergillus fumigatus is a fungal disease drug target involved in the production of hydroxamate-containing siderophores, which are used by the pathogen to sequester iron. SidA is an N-monooxygenase that catalyzes the NADPH-dependent hydroxylation of L-ornithine through a multistep oxidative mechanism, utilizing a C4a-hydroperoxyflavin intermediate. Here we present four new crystal structures of SidA in various redox and ligation states, including the first structure of oxidized SidA without NADP(H) or L-ornithine bound (resting state). The resting state structure reveals a new out active site conformation characterized by large rotations of the FAD …


Pump-Probe Spectroscopy Of Bose Polarons: Dynamical Formation And Coherence, Simeon I. Mistakidis, Garyfallia Katsimiga, G. M. Koutentakis, Th Busch, P. Schmelcher Sep 2020

Pump-Probe Spectroscopy Of Bose Polarons: Dynamical Formation And Coherence, Simeon I. Mistakidis, Garyfallia Katsimiga, G. M. Koutentakis, Th Busch, P. Schmelcher

Physics Faculty Research & Creative Works

We Propose And Investigate A Pump-Probe Spectroscopy Scheme To Unveil The Time-Resolved Dynamics Of Fermionic Or Bosonic Impurities Immersed In A Harmonically Trapped Bose-Einstein Condensate. In This Scheme A Pump Pulse Initially Transfers The Impurities From A Noninteracting To A Resonantly Interacting Spin State And, After A Finite Time In Which The System Evolves Freely, The Probe Pulse Reverses This Transition. This Directly Allows Us To Monitor The Nonequilibrium Dynamics Of The Impurities As The Dynamical Formation Of Coherent Attractive Or Repulsive Bose Polarons And Signatures Of Their Induced Interactions Are Imprinted In The Probe Spectra. We Show That For …


Reflected Fractional Brownian Motion In One And Higher Dimensions, Thomas Vojta, Samuel Halladay, Sarah Skinner, Skirmantas Janusonis, Tobias Guggenberger, Ralf Metzler Sep 2020

Reflected Fractional Brownian Motion In One And Higher Dimensions, Thomas Vojta, Samuel Halladay, Sarah Skinner, Skirmantas Janusonis, Tobias Guggenberger, Ralf Metzler

Physics Faculty Research & Creative Works

Fractional Brownian motion (FBM), a non-Markovian self-similar Gaussian stochastic process with long-ranged correlations, represents a widely applied, paradigmatic mathematical model of anomalous diffusion. We report the results of large-scale computer simulations of FBM in one, two, and three dimensions in the presence of reflecting boundaries that confine the motion to finite regions in space. Generalizing earlier results for finite and semi-infinite one-dimensional intervals, we observe that the interplay between the long-time correlations of FBM and the reflecting boundaries leads to striking deviations of the stationary probability density from the uniform density found for normal diffusion. Particles accumulate at the boundaries …


Gw190521: A Binary Black Hole Merger With A Total Mass Of 150  M⊙, R. Abbott, T. D. Abbott, Marco Cavaglia, For Full List Of Authors, See Publisher's Website. Sep 2020

Gw190521: A Binary Black Hole Merger With A Total Mass Of 150  M⊙, R. Abbott, T. D. Abbott, Marco Cavaglia, For Full List Of Authors, See Publisher's Website.

Physics Faculty Research & Creative Works

On May 21, 2019 at 03:02:29 UTC Advanced LIGO and Advanced Virgo observed a short duration gravitational-wave signal, GW190521, with a three-detector network signal-to-noise ratio of 14.7, and an estimated false-alarm rate of 1 in 4900 yr using a search sensitive to generic transients. If GW190521 is from a quasicircular binary inspiral, then the detected signal is consistent with the merger of two black holes with masses of 85+21−14  M⊙ and 66+17−18  M⊙ (90% credible intervals). We infer that the primary black hole mass lies within the gap produced by (pulsational) pair-instability supernova processes, with only …


Slab Dehydration And Mantle Upwelling In The Vicinity Of The Sumatra Subduction Zone: Evidence From Receiver Function Imaging Of Mantle Transition Zone Discontinuities, Fansheng Kong, Stephen S. Gao, Kelly H. Liu, Weiwei Ding, Jiabiao Li Sep 2020

Slab Dehydration And Mantle Upwelling In The Vicinity Of The Sumatra Subduction Zone: Evidence From Receiver Function Imaging Of Mantle Transition Zone Discontinuities, Fansheng Kong, Stephen S. Gao, Kelly H. Liu, Weiwei Ding, Jiabiao Li

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

A total of 10,586 P-to-S radial receiver functions recorded by 64 broadband seismic stations were utilized to image the 410 and 660 km discontinuities (d410 and d660, respectively) bordering the mantle transition zone (MTZ) beneath the Sumatra Island, the Malay Peninsula, and the western margin of the South China Sea. The d410 and d660 were imaged by stacking receiver functions in successive circular bins with a radius of 1°, after moveout corrections based on the 1-D IASP91 Earth model. The resulting apparent depths of the discontinuities exhibit significant and spatially systematic variations. The apparent depths of the d410 and d660 …


Parametrically Excited Star-Shaped Patterns At The Interface Of Binary Bose-Einstein Condensates, D. K. Maity, K. Mukherjee, Simeon I. Mistakidis, S. Das, P. G. Kevrekidis, S. Majumder, P. Schmelcher Sep 2020

Parametrically Excited Star-Shaped Patterns At The Interface Of Binary Bose-Einstein Condensates, D. K. Maity, K. Mukherjee, Simeon I. Mistakidis, S. Das, P. G. Kevrekidis, S. Majumder, P. Schmelcher

Physics Faculty Research & Creative Works

A Faraday-Wave-Like Parametric Instability Is Investigated Via Mean-Field And Floquet Analysis In Immiscible Binary Bose-Einstein Condensates. The Condensates Form A So-Called Ball-Shell Structure In A Two-Dimensional Harmonic Trap. To Trigger The Dynamics, The Scattering Length Of The Core Condensate Is Periodically Modulated In Time. We Reveal That In The Dynamics The Interface Becomes Unstable Towards The Formation Of Oscillating Patterns. The Interface Oscillates Subharmonically, Exhibiting An M-Fold Rotational Symmetry That Can Be Controlled By Maneuvering The Amplitude And The Frequency Of The Modulation. Using Floquet Analysis We Are Able To Predict The Generated Interfacial Tension Of The Mixture And Derive …


Topography Of The 410 And 660 Km Discontinuities Beneath The Cenozoic Okavango Rift Zone And Adjacent Precambrian Provinces, Youqiang Yu, Stephen S. Gao, Kelly H. Liu Sep 2020

Topography Of The 410 And 660 Km Discontinuities Beneath The Cenozoic Okavango Rift Zone And Adjacent Precambrian Provinces, Youqiang Yu, Stephen S. Gao, Kelly H. Liu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

By taking advantage of the recent availability of a broadband seismic data set from Networks NR and BX covering the entire country of Botswana, we conduct a systematic receiver function investigation of the topography of the 410 and 660 km discontinuities beneath the incipient Okavango rift zone (ORZ) in northern Botswana and its adjacent Archean-Proterozoic tectonic provinces in southern Africa. Similar to a previous mantle transition zone (MTZ) discontinuity study using data from a 1-D profile traversing the ORZ, a normal MTZ thickness is observed in most parts of the study area. This is inconsistent with the existence of widespread …


Student Preclass Preparation By Both Reading The Textbook And Watching Videos Online Improves Exam Performance In A Partially Flipped Course, Kaleb Bassett, Gayla R. Olbricht, Katie Shannon Sep 2020

Student Preclass Preparation By Both Reading The Textbook And Watching Videos Online Improves Exam Performance In A Partially Flipped Course, Kaleb Bassett, Gayla R. Olbricht, Katie Shannon

Mathematics and Statistics Faculty Research & Creative Works

The flipped classroom has the potential to improve student performance. Because flipping involves both preclass preparation and problem solving in the classroom, the means by which increased learning occurs and whether the method of delivering content matters is of interest. In a partially flipped cell biology course, students were assigned online videos before the flipped class and textbook reading before lectures. Low-stakes assessments were used to incentivize both types of preclass preparation. We hypothesized that more students would watch the videos than read the textbook and that both types of preparation would positively affect exam performance. A multiple linear regression …


Analysis Of Distributed And Autonomous Scheduling Functions For 6tisch Networks, Francesca Righetti, Carlo Vallati, Sajal K. Das, Giuseppe Anastasi Aug 2020

Analysis Of Distributed And Autonomous Scheduling Functions For 6tisch Networks, Francesca Righetti, Carlo Vallati, Sajal K. Das, Giuseppe Anastasi

Computer Science Faculty Research & Creative Works

The 6TiSCH architecture is expected to play a significant role to enable the Internet of Things paradigm also in industrial environments, where reliability and timeliness are of paramount importance to support critical applications. Many research activities have focused on the Scheduling Function (SF) used for managing the allocation of communication resources in order to guarantee the application requirements. Two different approaches have mainly attracted the interest of researchers, namely distributed and autonomous scheduling. Although many different (both distributed and autonomous) SFs have been proposed and analyzed, a direct comparison of these two approaches is still missing. In this work, we …


Big Data Energy Management, Analytics And Visualization For Residential Areas, Ragini Gupta, A. R. Al-Ali, Imran A. Zualkernan, Sajal K. Das Aug 2020

Big Data Energy Management, Analytics And Visualization For Residential Areas, Ragini Gupta, A. R. Al-Ali, Imran A. Zualkernan, Sajal K. Das

Computer Science Faculty Research & Creative Works

With the rapid development of IoT based home appliances, it has become a possibility that home owners share with Utilities in the management of home appliances energy consumption. Thus, the proposed work empowers home owners to manage their home appliances energy consumption and allow them to compare their consumption with respect to their local community total consumption. This serves as a nudge in consumer's behavior to schedule their home appliances operation according to their local community consumption profile and trend. Utilizing the same common communication infrastructure, it also allows the utilities on different consumption levels (community, state, country) to monitor …


Evaluation Of Standard And Semantically-Augmented Distance Metrics For Neurology Patients, Daniel B. Hier, Jonathan Kopel, Steven U. Brint, Donald C. Wunsch, Gayla R. Olbricht, Sima Azizi, Blaine Allen Aug 2020

Evaluation Of Standard And Semantically-Augmented Distance Metrics For Neurology Patients, Daniel B. Hier, Jonathan Kopel, Steven U. Brint, Donald C. Wunsch, Gayla R. Olbricht, Sima Azizi, Blaine Allen

Electrical and Computer Engineering Faculty Research & Creative Works

Background: Patient distances can be calculated based on signs and symptoms derived from an ontological hierarchy. There is controversy as to whether patient distance metrics that consider the semantic similarity between concepts can outperform standard patient distance metrics that are agnostic to concept similarity. The choice of distance metric can dominate the performance of classification or clustering algorithms. Our objective was to determine if semantically augmented distance metrics would outperform standard metrics on machine learning tasks.

Methods: We converted the neurological findings from 382 published neurology cases into sets of concepts with corresponding machine-readable codes. We calculated patient distances by …


Gw190412: Observation Of A Binary-Black-Hole Coalescence With Asymmetric Masses, R. Abbott, T. D. Abbott, Marco Cavaglia, For Full List Of Authors, See Publisher's Website. Aug 2020

Gw190412: Observation Of A Binary-Black-Hole Coalescence With Asymmetric Masses, R. Abbott, T. D. Abbott, Marco Cavaglia, For Full List Of Authors, See Publisher's Website.

Physics Faculty Research & Creative Works

We report the observation of gravitational waves from a binary-black-hole coalescence during the first two weeks of LIGO's and Virgo's third observing run. The signal was recorded on April 12, 2019 at 05:30:44 UTC with a network signal-to-noise ratio of 19. The binary is different from observations during the first two observing runs most notably due to its asymmetric masses: a ∼30 Mʘ black hole merged with a ∼8 Mʘ black hole companion. The more massive black hole rotated with a dimensionless spin magnitude between 0.22 and 0.60 (90% probability). Asymmetric systems are predicted to emit gravitational waves …


Erratum: Basis Set Dependence Of Higher-Order Correlation Effects In Π -Type Interactions (J. Chem. Phys. (2012) 136 (014103) Doi: 10.1155/2019/4057848), Emily J. Carrell, Cara M. Thorne, Gregory S. Tschumper Aug 2020

Erratum: Basis Set Dependence Of Higher-Order Correlation Effects In Π -Type Interactions (J. Chem. Phys. (2012) 136 (014103) Doi: 10.1155/2019/4057848), Emily J. Carrell, Cara M. Thorne, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

For a sequence of three correlation consistent basis sets,1 an algebraic expression can be obtained from Feller's three-parameter exponential function for the complete basis set (CBS) limit of the Hartree–Fock (HF) energy.2 During the derivation of a general three-point algebraic expression for the HF CBS limit,3 it was recognized that Eq. (2) in our original paper4 had the wrong sign in the last term in the denominator. The correct equation is as follows: (Formula Presented). (Table Presented).


Factorization Of High-Order-Harmonic-Generation Yields In Impurity-Doped Materials, Van Hung Hoang, Anh-Thu Le Aug 2020

Factorization Of High-Order-Harmonic-Generation Yields In Impurity-Doped Materials, Van Hung Hoang, Anh-Thu Le

Physics Faculty Research & Creative Works

We present a theoretical investigation of high-order-harmonic generation (HHG) from impurity-doped materials. Based on the analysis of the exact numerical solutions of the time-dependent Schrödinger equation (TDSE) for one-dimensional models, we demonstrate the factorization of HHG yields as a product of an electron wave packet and the recombination cross section, in analogy to HHG from atoms and molecules in the gas phase. Furthermore, we show that the quantitative rescattering model based on this factorization accurately reproduces the TDSE results. This opens up new possibilities to study impurities in materials using the available techniques from strong-field physics.


Structure And Function Of A Flavin-Dependent S-Monooxygenase From Garlic (Allium Sativum), Hannah Valentino, Ashley C. Campbell, Jonathan P. Schuermann, Nazneen Sultana, Han G. Nam, Sophie Leblanc, John J. Tanner, Pablo Sobrado Aug 2020

Structure And Function Of A Flavin-Dependent S-Monooxygenase From Garlic (Allium Sativum), Hannah Valentino, Ashley C. Campbell, Jonathan P. Schuermann, Nazneen Sultana, Han G. Nam, Sophie Leblanc, John J. Tanner, Pablo Sobrado

Chemistry Faculty Research & Creative Works

Allicin is a component of the characteristic smell and flavor of garlic (Allium sativum). A flavin-containing monooxygenase (FMO) produced by A. sativum (AsFMO) was previously proposed to oxidize S-allyl-L-cysteine (SAC) to alliin, an allicin precursor. Here, we present a kinetic and structural characterization of AsFMO that suggests a possible contradiction to this proposal. Results of steady-state kinetic analyses revealed that AsFMO exhibited negligible activity with SAC; however, the enzyme was highly active with L-cysteine, N-acetyl-L-cysteine, and allyl mercaptan. We found that allyl mercaptan with NADPH was the preferred substrate-cofactor combination. Rapid-reaction kinetic analyses showed that NADPH binds tightly (KD of …


Energy Stable Numerical Schemes For Ternary Cahn-Hilliard System, Wenbin Chen, Cheng Wang, Shufen Wang, Xiaoming Wang, Steven M. Wise Aug 2020

Energy Stable Numerical Schemes For Ternary Cahn-Hilliard System, Wenbin Chen, Cheng Wang, Shufen Wang, Xiaoming Wang, Steven M. Wise

Mathematics and Statistics Faculty Research & Creative Works

We present and analyze a uniquely solvable and unconditionally energy stable numerical scheme for the ternary Cahn-Hilliard system, with a polynomial pattern nonlinear free energy expansion. One key difficulty is associated with presence of the three mass components, though a total mass constraint reduces this to two components. Another numerical challenge is to ensure the energy stability for the nonlinear energy functional in the mixed product form, which turns out to be non-convex, non-concave in the three-phase space. to overcome this subtle difficulty, we add a few auxiliary terms to make the combined energy functional convex in the three-phase space, …


Observation And Analysis Of Multiple Dark-Antidark Solitons In Two-Component Bose-Einstein Condensates, Garyfallia Katsimiga, Simeon I. Mistakidis, T. M. Bersano, M. K.H. Ome, S. M. Mossman, K. Mukherjee, P. Schmelcher, P. Engels, P. G. Kevrekidis Aug 2020

Observation And Analysis Of Multiple Dark-Antidark Solitons In Two-Component Bose-Einstein Condensates, Garyfallia Katsimiga, Simeon I. Mistakidis, T. M. Bersano, M. K.H. Ome, S. M. Mossman, K. Mukherjee, P. Schmelcher, P. Engels, P. G. Kevrekidis

Physics Faculty Research & Creative Works

We Report On The Static And Dynamical Properties Of Multiple Dark-Antidark Solitons (DADs) In Two-Component, Repulsively Interacting Bose-Einstein Condensates. Motivated By Experimental Observations Involving Multiple DADs, We Present A Theoretical Study Which Showcases That Bound States Consisting Of Dark (Antidark) Solitons In The First (Second) Component Of The Mixture Exist For Different Values Of Interspecies Interactions. It Is Found That Ensembles Of Few DADs May Exist As Stable Configurations, While For Larger DAD Arrays, The Relevant Windows Of Stability With Respect To The Interspecies Interaction Strength Become Progressively Narrower. Moreover, The Dynamical Formation Of States Consisting Of Alternating DADs In …


Hierarchical Syntactic Models For Human Activity Recognition Through Mobility Traces, Enrico Casella, Marco Ortolani, Simone Silvestri, Sajal K. Das Aug 2020

Hierarchical Syntactic Models For Human Activity Recognition Through Mobility Traces, Enrico Casella, Marco Ortolani, Simone Silvestri, Sajal K. Das

Computer Science Faculty Research & Creative Works

Recognizing users’ daily life activities without disrupting their lifestyle is a key functionality to enable a broad variety of advanced services for a Smart City, from energy-efficient management of urban spaces to mobility optimization. In this paper, we propose a novel method for human activity recognition from a collection of outdoor mobility traces acquired through wearable devices. Our method exploits the regularities naturally present in human mobility patterns to construct syntactic models in the form of finite state automata, thanks to an approach known as grammatical inference. We also introduce a measure of similarity that accounts for the intrinsic hierarchical …


Doping A Lattice-Trapped Bosonic Species With Impurities: From Ground State Properties To Correlated Tunneling Dynamics, Kevin Keiler, Simeon I. Mistakidis, Peter Schmelcher Aug 2020

Doping A Lattice-Trapped Bosonic Species With Impurities: From Ground State Properties To Correlated Tunneling Dynamics, Kevin Keiler, Simeon I. Mistakidis, Peter Schmelcher

Physics Faculty Research & Creative Works

We Investigate The Ground State Properties And The Nonequilibrium Dynamics Of A Lattice Trapped Bosonic Mixture Consisting Of An Impurity Species And A Finite-Sized Medium. For The Case Of One As Well As Two Impurities We Observe That, Depending On The Lattice Depth And The Interspecies Interaction Strength, A Transition From A Strongly Delocalized To A Localized Impurity Distribution Occurs. In The Latter Regime The Two Species Phase Separate, Thereby Forming A Particle-Hole Pair. For Two Impurities We Find That Below A Critical Lattice Depth They Are Delocalized Among Two Neighboring Outer Lattice Wells And Are Two-Body Correlated. This Transition …


Postharvest Application Of Thiol Compounds Affects Surface Browning And Antioxidant Activity Of Fresh-Cut Potatoes, İnci Cerit, Annalise Pfaff, Nuran Ercal, Omca Demirkol Jul 2020

Postharvest Application Of Thiol Compounds Affects Surface Browning And Antioxidant Activity Of Fresh-Cut Potatoes, İnci Cerit, Annalise Pfaff, Nuran Ercal, Omca Demirkol

Chemistry Faculty Research & Creative Works

The aim of this study was to compare the effects of sodium metabisulphite and the thiol compounds, glutathione (GSH), L-cysteine (CYS), and N-acetylcysteine (NAC), on the enzymatic browning, antioxidant activities, total phenolic, and ascorbic acid content of potatoes after 1, 24, and 48 hr. Three different concentrations (0.5%, 1.0%, and 2.0%) of each thiol compound were tested. While sulphite solution inhibited polyphenol oxidase as expected, NAC and CYS also decreased its activity. CYS-treated samples exhibited the highest residual thiol content, while the amount of residual thiol in GSH-treated samples was the lowest. The 2.0% NAC and 2.0% CYS solutions were …


Effect Of Vortex-Induced Physical Stress On Fluorescent Properties Of Dye-Containing Poly(Ethylene Glycol)-Block-Poly(Lactic Acid) Micelles, Tyler L. Odom, Jacob R. Blankenship, Giselle Campos, Devin C. Mart, Wenyan Liu, Risheng Wang, Keiichi Yoshimatsu Jul 2020

Effect Of Vortex-Induced Physical Stress On Fluorescent Properties Of Dye-Containing Poly(Ethylene Glycol)-Block-Poly(Lactic Acid) Micelles, Tyler L. Odom, Jacob R. Blankenship, Giselle Campos, Devin C. Mart, Wenyan Liu, Risheng Wang, Keiichi Yoshimatsu

Chemistry Faculty Research & Creative Works

The effect of vortex-induced mechanical stresses on the fluorescent properties of dye-containing poly(ethylene glycol)-block-poly(lactic acid) (PEG-b-PLA) block copolymer micelles has been investigated. PEG-b-PLA block copolymer micelles containing fluorescent dyes, 3,3′-dioctadecyloxacarbocyanine perchlorate (DiO) and/or 1,1′-dioctadecyl-3,3,3′,3′-tetramethylindocarbocyanine perchlorate (DiI), are prepared by a simple one-step procedure that involves the self-assembly of block copolymers and spontaneous incorporation of hydrophobic dyes into the core of the micelles. Upon vortexing, the micelle dispersion samples showed a decrease in fluorescence intensity in a rotational speed- and time-dependent manner. The results demonstrated that the vortexing can alter the fluorescent properties of the dye-containing PEG-b-PLA block copolymer micelle dispersion …