cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Analysis of multistability in discrete quantum droplets and bubbles
Creators: name: Kusdiantara, R.
name: Susanto, H.
name: Adriano, T. F.
name: Karjanto, N.
Publisher: name: arXiv
Year: 2024
Subjects: subject: Pattern Formation and Solitons (nlin.PS)
subject: FOS: Physical sciences

description: This study investigates the existence and stability of localized states in the discrete nonlinear Schrödinger (DNLS) equation with quadratic and cubic nonlinearities, describing the so-called quantum droplets and bubbles. Those states exist within an interval known as the pinning region, as we vary a control parameter. Within the interval, multistable states are connected through multiple hysteresis, called homoclinic snaking. In particular, we explore its mechanism and consider two limiting cases of coupling strength: weak (anti-continuum) and strong (continuum) limits. We employ an asymptotic and a variational method for the weak and strong coupling limits, respectively, to capture the pinning region's width. The width exhibits an algebraic and an exponentially small dependence on the coupling constant for the weak and strong coupling, respectively. This finding is supported by both analytical and numerical results, which show excellent agreement. We also consider the modulational instability of spatially uniform solutions. Our work sheds light on the intricate interplay between multistability and homoclinic snaking in discrete quantum systems, paving the way for further exploration of complex nonlinear phenomena in this context.
description: Chaos, Solitons and Fractals
FluProCAD: a computational screening workflow for fluorescent protein variants
Creators: name: Modi, Vaibhav
name: Morzov, Dmitry
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Biotechnology
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences

description: Fluorescent proteins are the backbone of modern high-resolution microscopy, but natural variants often require optimisation to perform effectively. While directed evolution is commonly used for such optimisation, predicting mutation effects requires a deep understanding of photophysics and photochemistry at the atomic scale. Computational chemistry provides a route to obtain such insights from first principles but requires significant expertise. To address this, we developed FluProCAD, a command-line-based workflow that automates system setup and computation of key properties of fluorescent protein mutants using established atomistic models, without the need for prior modeling experience. We applied FluProCAD to two case studies. First, we evaluated the optical and thermodynamic properties of Aequorea victoria Green Fluorescent Protein (avGFP) mutants, successfully reproducing changes in optical responses and folding and dimerisation free energies for five variants. Second, we predicted structural changes in 14 rsGreen0.7 protein variants and validated these models against experimental crystal structures. These results demonstrate the potential of FluProCAD to streamline the optimisation of fluorescent proteins, and expand the computational toolkit for advancing their performance.
Assimilation of GNSS-R Delay-Doppler Maps into Weather Models
Creators: name: Huang, Feixiong
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Space sciences not elsewhere classified
Meteorology

description: Global Navigation Satellite System Reflectometry (GNSS-R) is a remote sensing technique that uses reflected satellite navigation signals from the Earth surface in a bistatic radar configuration. GNSS-R observations have been collected using receivers on stationary, airborne and spaceborne platforms. The delay-Doppler map (DDM) is the fundamental GNSS-R measurement from which ocean surface wind speed can be retrieved. GNSS-R observations can be assimilated into numerical weather prediction models to improve weather analyses and forecasts. The direct assimilation of DDM observations shows potential superiority over the assimilation of wind retrievals.
This dissertation demonstrates the direct assimilation of GNSS-R DDMs using a two-dimensional variational analysis method (VAM). First, the observation forward model and its Jacobian are developed. Then, the observation's bias correction, quality control, and error characterization are presented. The DDM assimilation was applied to a global and a regional case.
In the global case, DDM observations from the NASA Cyclone Global Navigation Satellite System (CYGNSS) mission are assimilated into global ocean surface wind analyses using the European Centre for Medium-Range Weather Forecasts (ECMWF) 10-meter winds as the background. The wind analyses are improved as a result of the DDM assimilation. VAM can also be used to derive a new type of wind vector observation from DDMs (VAM-DDM).
In the regional case, an observing system experiment (OSE) is used to quantify the impact of VAM-DDM wind vectors from CYGNSS on hurricane forecasts, in the case of Hurricane Michael (2018). It is found that the assimilation of VAM-DDM wind vectors at the early stage of the hurricane improves the forecasted track and intensity.
The research of this dissertation implies potential benefits of DDM assimilation for future research and operational applications.
Fault Resilient Smart Power Distribution System
Creators: name: Shakeri Kahnamouei, Ali
Publisher: name: Washington State University
Year: 2026

description: This thesis presents novel approaches for fault location identification and post-fault reconfiguration in smart power distribution systems. The fault location identification methods are proposed in phasor domain and time domain and consider inverter-interfaced distributed generations (IIDGs). The proposed methods are not restricted to any type of data and can benefit from any type of available measurements in the distribution system including synchronized and unsynchronized measurements, active/reactive power data, and virtual measurements. These methods explicitly address data uncertainties and accommodates different load types. The proposed time domain fault location identification method is formulated based on differential equations of the system and accounts for the peculiarities of power distribution systems with distributed generations. It considers the presence of loads, multi-phase laterals and sub-laterals, heterogenous overhead and underground lines, and infeeds and remote-end fault current contributions of distributed generations. It implements a systematic approach to eliminate possible multiple fault location estimations to provide a single correct estimation of the actual location of the fault. Finally, an optimal post-fault reconfiguration method for active distribution systems, explicitly considering protection system constraints is proposed. Utilizing a generalized Benders decomposition algorithm, the method embeds the short-circuit program into the optimization problem. It effectively determines network topology and resolves power flow with protection system coordination constraints using second-order cone programming.
IDENTIFICATION OF GENOMIC REGIONS ASSOCIATED WITH EMBRYONIC LOSS IN AMERICAN HOLSTEIN CATTLE
Creators: name: Kelson, Victoria
Publisher: name: Washington State University
Year: 2024
Subjects: Cattle
Conception Rate
Dairy
Embryonic Loss
Loci

description: The objective of the following studies was to identify loci and gene sets in Holsteins associated with conception to the first service (CR1) or number of times bred to a successful pregnancy (TBRD) to study embryonic loss. Heifers from one dairy in Idaho were bred by artificial insemination (AI, n = 2829) or were embryo transfer recipients (ET, n = 2086) for conception rate to the first service, and for times bred to successful pregnancy heifers bred by AI (n = 2754) or ET (n = 1566) recipients. A genome wide association analysis (GWAA) and a gene set enrichment analysis using single nucleotide polymorphisms (GSEA-SNP) were performed. Three unique loci, containing four positional candidate genes, were associated (p < 1 × 10−5) with heifer CR1 for ET recipients, while the GSEA-SNP identified four gene sets (NES ≥3) and sixty-two leading edge genes (LEGs) enriched for HCR1. No loci were associated with HCR1
description: bred by AI, one gene set and twelve LEGs were enriched for HCR1 with the GSEA-SNP. Eight loci on BTA4, 6, 10, 14, 26, and 27 associated with eight positional candidate genes associated with TBRD in AI bred heifers. The GSEA-SNP identified one gene set, and one leading edge gene as enriched for TBRD in AI bred heifers. In heifers that were ET recipients four loci, two on BTA15, and one each on BTA17 and BTA27 were associated with TBRD and contained 11 positional candidate genes. Two gene sets containing 41 leading edge genes were enriched for TBRD in ET recipients. Many of the positional candidate and leading edge genes have functions related to embryonic loss in humans or cattle.
description: Analyses focused on primiparous cows included conception rate to the first service (CCR1) that received AI (n = 882) or ET (n = 353) breeding services, and the number of times bred to a successful pregnancy (TBRD) for AI services (n = 1851). A genome-wide association analysis and gene set enrichment analysis using SNP data for each phenotype and group was completed. Two unique loci, containing five positional candidate genes, were associated with CCR1 AI services, while the GSEA-SNP identified one gene set (NES ≥3) containing eighteen LEGs. Five unique loci were associated with CCR1 ET services; however, no gene sets were associated. The TBRD phenotype was associated with five unique loci, and two gene sets containing eight LEGs. These studies identified loci as potential genomic selection markers for AI and ET to incorporate into indices that could help producers select for higher reproductive efficiency based on reproductive technology. Many genes identified had direct roles in fertility and are crucial to embryonic development. Further research on the causative mutations at these loci will provide more information on the role of the positional candidate and LEGs in fertility and embryonic loss in Holstein heifers and primiparous cattle.
Additional file 2 of Using intervention mapping to develop evidence-based toolkits that support workers on long-term sick leave and their managers
Creators: name: Varela-Mato, Veronica
name: Blake, Holly
name: Yarker, Joanna
name: Godfree, Kate
name: Daly, Guy
name: Hassard, Juliet
name: Meyer, Caroline
name: Kershaw, Charlotte
name: Marwaha, Steven
name: Newman, Kristina
name: Russell, Sean
name: Thomson, Louise
name: Munir, Fehmidah
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Science Policy
subject: Mental Health
subject: Infectious Diseases
subject: FOS: Health sciences

description: Additional file 2. Performance objectives, determinants and change objectives for the worker on long-term sick leave. list of performance objectives and behaviour change matrix for the worker on long-term sick leave.
Additional file 3 of Using intervention mapping to develop evidence-based toolkits that support workers on long-term sick leave and their managers
Creators: name: Varela-Mato, Veronica
name: Blake, Holly
name: Yarker, Joanna
name: Godfree, Kate
name: Daly, Guy
name: Hassard, Juliet
name: Meyer, Caroline
name: Kershaw, Charlotte
name: Marwaha, Steven
name: Newman, Kristina
name: Russell, Sean
name: Thomson, Louise
name: Munir, Fehmidah
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Science Policy
subject: Mental Health
subject: Infectious Diseases
subject: FOS: Health sciences

description: Additional file 3. Performance objectives, determinants and change objectives for the workplace health coach. List of performance objectives and behaviour change matrix for the workplace coach.
Additional file 1 of Molecular control of cellulosic fin morphogenesis in ascidians
Creators: name: Lanoizelet, Maxence
name: Elkhoury Youhanna, Christel
name: Roure, Agnès
name: Darras, Sébastien
Publisher: name: figshare
Year: 2024
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional file 1: Fig. S1. An ascidian zoo of cellulosic larval tunics. Larvae of various species, whose name is depicted below the image, were stained with DAPI (blue) and CBM3a-GFP (green). Median and caudal fins are clearly visible for all species. The maximum intensity projections are placed along a phylogenetic tree based on recent studies [52, 53].
Experimental and theoretical investigation of hydrogen sorption by SnO2 nanostructures in a metal–organic framework scaffold
Creators: name: Goncalves, Rebecca B.
name: Chen, Zhihengyu
name: Chapman, Karena W.
name: Snurr, Randall Q.
name: Hupp, Joseph T.
Publisher: name: Taylor & Francis
Year: 2025
Subjects: Space Science
Medicine
Cell Biology
Biotechnology
Environmental Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer
Science Policy

description: SnO2 nanostructures decorated with Pd clusters were installed in the porous metal–organic framework (MOF) material NU-1000 and investigated as hydrogen storage materials. The proposed concept is to store atomic hydrogen – dissociated by the Pd clusters – within the nanostructured metal oxide to achieve reversible storage of hydrogen at near-ambient temperature and modest pressure using the MOF as a template for the nanostructures. Temperature programmed reduction and X-ray absorption spectroscopy (XANES) provide evidence for the reduction of SnO2 upon exposure to hydrogen. As a complement to the experiments, hydrogen sorption in or on several idealized SnO2 structures was studied using density functional theory (DFT), including the (110) surface of crystalline SnO2 surface and bulk SnO2 to assess the thermodynamic feasibility of hydrogen sorption under the conditions of the experiments, i.e. 1 bar and ambient temperature. Also evaluated computationally was the thermodynamic feasibility of reducing tin by extracting an oxygen atom with H2 and creating a lattice oxygen vacancy with generation of water in the vapor phase. The combined computational and experimental results point to the benefits of metal oxide nanostructuring in enabling reversible dissociative uptake of molecular hydrogen at ambient temperature and moderate pressures.
sj-docx-1-ict-10.1177_15347354211040757 – Supplemental material for Associations of Physical Activity and Exercise with Health-related Outcomes in Patients with Melanoma During and After Treatment: A Systematic Review
Creators: name: Crosby, Brendan J.
name: Lopez, Pedro
name: Galvão, Daniel A.
name: Newton, Robert U.
name: Taaffe, Dennis R.
name: Meniawy, Tarek M.
name: Warburton, Lydia
name: Khattak, Muhammad A.
name: Gray, Elin S.
name: Singh, Favil
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111708 Health and Community Services
subject: FOS: Health sciences
subject: 110306 Endocrinology
subject: FOS: Clinical medicine
subject: 111299 Oncology and Carcinogenesis not elsewhere classified
subject: 111702 Aged Health Care

description: Supplemental material, sj-docx-1-ict-10.1177_15347354211040757 for Associations of Physical Activity and Exercise with Health-related Outcomes in Patients with Melanoma During and After Treatment: A Systematic Review by Brendan J. Crosby, Pedro Lopez, Daniel A. Galvão, Robert U. Newton, Dennis R. Taaffe, Tarek M. Meniawy, Lydia Warburton, Muhammad A. Khattak, Elin S. Gray and Favil Singh in Integrative Cancer Therapies
Cooperativity and reactivity properties of medium-sized boron clusters: a combined density functional theory and information-theoretic approach study
Creators: name: Zhang, Wenbiao
name: Zhao, Yilin
name: An, Xiaoyan
name: Fu, Jia
name: Zhang, Jingwen
name: Zhao, Dongbo
name: Liu, Shubin
name: Rong, Chunying
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Physical Sciences not elsewhere classified
subject: Evolutionary Biology
subject: FOS: Biological sciences
subject: Chemical Sciences not elsewhere classified
subject: Virology
subject: Computational Biology

description: In continuation of our previous work of small boron clusters [Phys. Chem. Chem. Phys. 23, 24118 (2021)], we systematically examined the neutral and negatively charged boron clusters Bn/Bn′ − (nε{8–38}) with planar or quasi-planar conformations, whose exotic properties have aroused considerable interest in the literature. We make use of two total energy partition schemes, conceptual density functional theory, and the information-theoretic approach to appreciate the cooperativity and reactivity properties. We found that neutral boron clusters are positively cooperative, but negatively charged boron clusters are negatively cooperative. Our results show that the origin of the cooperativity effect for the negatively cooperative boron clusters is much more complicated than the neutral boron clusters. For chemical reactivity, we unveil that the reactive sites are around the cluster periphery and boron atoms can be both electrophilic and nucleophilic. Global and local aromaticity for the boron clusters can be totally different. For the first time, we have observed helical spin density distributions for negatively charged boron clusters (B16– and B20–), which is reminiscent of helical molecular orbitals [Chem. Sci. 4, 4278 (2013)] in allenes, cumulenes, and oligoynes (polyalkynes). Collectively, our results should provide more insights to understand the exotic properties of boron clusters and henceforth yield novel potential applications.
sj-pdf-1-wso-10.1177_17474930211041202 - Supplemental material for Stroke network performance during the first COVID-19 pandemic stage: A meta-analysis based on stroke network models
Creators: name: Romoli, Michele
name: Eusebi, Paolo
name: Forlivesi, Stefano
name: Gentile, Mauro
name: Giammello, Fabrizio
name: Piccolo, Laura
name: Giannandrea, David
name: Vidale, Simone
name: Longoni, Marco
name: Paolucci, Matteo
name: Hsiao, Jessica
name: Sayles, Emily
name: Yeo, Leonard LL
name: Kristoffersen, Espen Saxhaug
name: Chamorro, Angel
name: Jiao, Liqun
name: Khatri, Pooja
name: Tsivgoulis, Georgios
name: Paciaroni, Maurizio
name: Zini, Andrea
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: Cardiology
subject: Medicine
subject: 110904 Neurology and Neuromuscular Diseases
subject: FOS: Clinical medicine

description: Supplemental material, sj-pdf-1-wso-10.1177_17474930211041202 for Stroke network performance during the first COVID-19 pandemic stage: A meta-analysis based on stroke network models by Michele Romoli, Paolo Eusebi, Stefano Forlivesi, Mauro Gentile, Fabrizio Giammello, Laura Piccolo, David Giannandrea, Simone Vidale, Marco Longoni, Matteo Paolucci, Jessica Hsiao, Emily Sayles, Leonard LL Yeo, Espen Saxhaug Kristoffersen, Angel Chamorro, Liqun Jiao, Pooja Khatri, Georgios Tsivgoulis, Maurizio Paciaroni and Andrea Zini in International Journal of Stroke
Design, synthesis and biological activity evaluation of novel inhibitors targeting TNKS2, based on docking, virtual screening and molecular dynamics simulation studies
Creators: name: Nie, Hui
name: Li, Tang
name: Huang, Jinwen
name: Wu, Fanhong
Publisher: name: Taylor & Francis
Year: 2024
Subjects: Biochemistry
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified

description: In recent years, tankyrases (TNKS) have garnered substantial interest as a promising new drug target. An escalating amount of research has been dedicated to the development of TNKS-targeting drugs, highlighting the substantial potential in anti-cancer therapeutics. In this study, a potential TNKS2 lead compound, ZINC11726230, was identified through docking-based virtual screening, molecular dynamics simulation and bioassay. Structural modification of the lead compound, ZINC11726230, yielded two new TNKS2 inhibitors (compound 1-2), which exhibited remarkable inhibitory activity, with an IC50 value of 0.013 μM, outperforming the positive control compound G007-LK (IC50 = 0.035 μM). This study offers unique insights into the discovery of effective TNKS2 inhibitors.
A LONG-TERM ECONOMIC COMPARISON BETWEEN ORGANIC AND CONVENTIONAL CROPPING ROTATIONS
Creators: name: Fang, Xiaoyi
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Farm management, rural management and agribusiness

description: The results of previous studies generally show that organic production is more profitable than conventional production. However, as a source of these results, the trials are either of short duration or do not specifically examine the benefits during the transition period, suggesting that previous work may not have captured the full variability of crop net returns. The purpose of this study was to compare the net returns and risks of conventional, transition, and organic cropping systems using long-term crop budgets and stochastic simulations. Conventional crop rotations were represented by a corn / soybean rotation and a corn / soybean / wheat rotation. The organic crop rotation produced corn, soybean and wheat. Historical prices, crop budgets, and FINBIN data are used to develop the long-term crop budgets. The organic crop rotation included a three-year transition period. Ten-year enterprise budgets were created for each crop and rotation so that we could compare the net returns of the transition year of organic crop rotation and the year of organic production. This thesis summarizes the enterprise budget information for each crop in the conventional and organic cropping systems, and summarizes the information used for the simulation analysis. Using @ risk, differences in annual net returns to land between crop rotations were summarized. Results are as follows. First, the transition and organic cropping system was found to have higher net returns to land than the two conventional crop rotations under most of the simulation iterations. Second, the annual net returns during the transition period were relatively low. Third, the highest average annual net return was for organic corn.
Additional file 2 of Molecular control of cellulosic fin morphogenesis in ascidians
Creators: name: Lanoizelet, Maxence
name: Elkhoury Youhanna, Christel
name: Roure, Agnès
name: Darras, Sébastien
Publisher: name: figshare
Year: 2024
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional file 2: Fig. S2. Tunic staining using DirecRed23 and Calcofluor White. Both dyes stained the embryos quite strongly, but they were useful in delineating the tunic. (Top panel) DirectRed23 and DAPI staining. The first picture shows an overlay of DirectRed23 and DAPI, and is not informative. However, masking the embryo's shape using the DAPI channel (thanks to the background staining of the entire cell and not only the nucleus) allows a clear visualization of the tunic. Results on the presence of the tunic before hatching are similar to the ones obtained with Calcofluor White (Fig. 1 and below). (Bottom panel) Calcofluor White and Sytox Green staining. Similar results were obtained using a similar approach with the confocal acquisitions shown in Fig. 1A-C. All images are maximum intensity projection from confocal z-stacks.
Orbital Rendezvous and Spacecraft Loitering in the Earth-Moon System
Creators: name: Khoury, Fouad S
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Aerospace engineering not elsewhere classified

description: To meet the challenges posed by future space exploration activities, relative satellite motion techniques and capabilities require development to incorporate dynamically complex regimes. ?Specific relative motion applications including orbital rendezvous and spacecraft loitering will play a significant role in NASA's Gateway and Artemis missions which aim to land the ?first woman and next man on the Moon by 2024. In this investigation, relative motion in the restricted 3-body problem is formulated, validated, and tested in a rotating local-vertical-local-horizontal (LVLH)frame situated at a target spacecraft and followed by a chaser. Two formulations of the restricted 3-body problem are considered, namely the Circular Restricted 3-BodyProblem (CR3BP) and the Elliptical Restricted 3-Body Problem (ER3BP). Comparisons between the relative dynamical models in the CR3BP and ER3BP, respectively,and other standard relative motion sets of equations such as the Euler-Hill (HCW) model and the Linear Equations of Relative Motion (LERM) are accomplished to identify limitations and inaccuracies pertaining to the in orbits that exist in the CR3BP and ER3BP, respectively. Additionally, the relative motion equations are linearized to develop computational tools for solutions to the rendezvous and space loitering problems in the Earth-Moon system.
Enhancing molecular phosphorescence of triphenylamine-benzoyl derivatives derived by the incorporation of substituents and molecular aggregation: a theoretical design
Creators: name: Jiang, Jiale
name: Bi, Hele
name: Wang, Lu
name: Zhang, Jinxiao
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Physical Sciences not elsewhere classified
subject: Molecular Biology
subject: Biotechnology
subject: Evolutionary Biology
subject: FOS: Biological sciences
subject: Chemical Sciences not elsewhere classified
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences

description: The development of low-cost, environmentally friendly, and easily synthesised pure organic phosphorescent materials is of significant interest in the fields of optoelectronics, bioimaging, and sensors. However, conventional pure organic phosphorescent materials often suffer from inefficient intersystem crossing (ISC) due to large energy gaps (ΔES-T) and weak spin-orbit coupling (SOC) between singlet and triplet excited states. Herein, we design a series of mono– and dual-substituted monomers and aggregates based on triphenylamine-benzoyl (TPABz) parent precursor to investigate the underlying mechanisms of substitution and molecular aggregation on phosphorescence properties using density functional theory (DFT). Theoretical results show that TPABz derivatives with dual weak substituents in the aggregated state exhibit the fastest ISC process and the most efficient phosphorescent emission. This enhanced emission originates from the moderate structural distortion induced by dual weak substitutions, which achieves an optimal balance between ΔES-T reduction and SOC enhancement. Additionally, molecular aggregation further enhances phosphorescent performance through reduction of ΔES-T energy gap, increase of ISC channels through energy splitting, and suppression non-radiative decay due to intermolecular steric hindrance and weak interactions. This work provides new insights into the mechanisms of substitution and aggregation-induced luminescence, offering theoretical support for designing and synthesising highly efficient pure organic luminescent materials.
Extraction and Integration of Physical Illumination in Dynamic Augmented Reality Environments
Creators: name: Alhakamy, A'aeshah Abduallah
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Computer graphics
Applied computing not elsewhere classified
Computer vision
Virtual and mixed reality
Architectural science and technology
Image processing

description: Although current augmented, virtual, and mixed reality (AR/VR/MR) systems are facing advanced and immersive experience in the entertainment industry with countless media forms. Theses systems suffer a lack of correct direct and indirect illumination modeling where the virtual objects render with the same lighting condition as the real environment. Some systems are using baked GI, pre-recorded textures, and light probes that are mostly accomplished offline to compensate for precomputed real-time global illumination (GI). Thus, illumination information can be extracted from the physical scene for interactively rendering the virtual objects into the real world which produces a more realistic final scene in real-time. This work approaches the problem of visual coherence in AR by proposing a system that detects the real-world lighting conditions in dynamic scenes, then uses the extracted illumination information to render the objects added to the scene. The system covers several major components to achieve a more realistic augmented reality outcome. First, the detection of the incident light (direct illumination) from the physical scene with the use of computer vision techniques based on the topological structural analysis of 2D images using a live-feed 360o camera instrumented on an AR device that captures the entire radiance map. Also, the physics-based light polarization eliminates or reduces false-positive lights such as white surfaces, reflections, or glare which negatively affect the light detection process. Second, the simulation of the reflected light (indirect illumination) that bounce between the real-world surfaces to be rendered into the virtual objects and reflect their existence in the virtual world. Third, defining the shading characteristic/properties of the virtual object to depict the correct lighting assets with a suitable shadow casting. Fourth, the geometric properties of real-scene including plane detection, 3D surface reconstruction, and simple meshing are incorporated with the virtual scene for more realistic depth interactions between the real and virtual objects. These components are developed methods which assumed to be working simultaneously in real-time for photo-realistic AR. The system is tested with several lighting conditions to evaluate the accuracy of the results based on the error incurred between the real/virtual objects casting shadow and interactions. For system efficiency, the rendering time is compared with previous works and research. Further evaluation of human perception is conducted through a user study. The overall performance of the system is investigated to reduce the cost to a minimum.
Integration of oxide-metal and nitride-metal vertically aligned nanocomposites on silicon toward device applications
Creators: name: Kalaswad, Matias
Publisher: name: Purdue University Graduate School
Year: 2021
Subjects: Electrical engineering not elsewhere classified
Materials engineering not elsewhere classified

description: Devices that can process more information in reduced dimensions are essential for an increasingly information- and efficiency-driven future. To this end, nanocomposites are promising due to their inherent multifunctional properties and special behavior at the nanoscale. Vertically aligned nanocomposites (VANs) are particularly interesting because of their ability to self-assemble into anisotropic nanostructures and high density of heterointerfaces – characteristics which introduce unique functionalities and offer exciting new avenues for device applications. However, a vast majority of VAN systems are currently fabricated on single-crystal oxide substrates, which may be cost-prohibitive at large scales and are generally incompatible with the prevalent device fabrication techniques. Thus, integration of VAN thin films on silicon becomes a critical step toward implementing VANs in a well-established semiconductor manufacturing industry. In this dissertation, the viability of oxide-metal and nitride-metal VAN thin films integrated on silicon substrates has been demonstrated through a set of unique buffer layer designs. For the first three systems presented in this dissertation, namely, LaSrFeO4-Fe, BaTiO3-Au, and BaTiO3-Fe, microstructural and physical property (i.e. electrical, magnetic, and optical) analyses confirm their successful epitaxial growth on silicon, with only minor differences compared to their counterparts grown on single-crystal oxide substrates. For the fourth system, a new and robust TiN-Fe VAN has been proposed and demonstrated. The new TiN-Fe VAN system on Si exhibits superior magnetic properties and unusual optical properties. With further growth optimization and/or patterning techniques, VAN thin film integration on silicon presents itself as a feasible and cost-effective approach to designing electronic, spintronic, photonic, and sensing devices.
sj-pdf-1-iji-10.1177_20587384211034686 – Supplemental Material for Anti-inflammatory properties of a proprietary bromelain extract (Bromeyal™) after in vitro simulated gastrointestinal digestion
Creators: name: Bottega, Roberta
name: Persico, Ilaria
name: De Seta, Francesco
name: Romano, Federico
name: Di Lorenzo, Giovanni
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: Medicine
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 111702 Aged Health Care
subject: 111403 Paediatrics
subject: FOS: Clinical medicine
subject: 111599 Pharmacology and Pharmaceutical Sciences not elsewhere classified
subject: 110203 Respiratory Diseases
subject: 70706 Veterinary Medicine
subject: FOS: Veterinary sciences
subject: Cell Biology
subject: Biochemistry
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences

description: Supplemental Material, sj-pdf-1-iji-10.1177_20587384211034686 for Anti-inflammatory properties of a proprietary bromelain extract (Bromeyal™) after in vitro simulated gastrointestinal digestion by Roberta Bottega, Ilaria Persico, Francesco De Seta, Federico Romano and Giovanni Di Lorenzo in International Journal of Immunopathology and Pharmacology
Unveiling the therapeutic potential of azopyridine derivatives for trypsin inhibition: a DFT and In-Vitro approach
Creators: name: John, Athira Maria
name: Suresh, Sharanya C.
name: Baby, Anjana
name: Jayaram, Saranya
name: Sarojini, Suma
name: Thomas, Renjith
name: Balakrishnan, Sreeja Puthanveetil
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Cancer

description: Heterocyclic azo derivatives have emerged as promising scaffolds for drug development. This study focused on the synthesis, computational analysis, and biological evaluation of a series of azopyridine derivatives (1a, 1d, 1 g, 1 h, 1 m, 1p, and 1s) as potential trypsin inhibitors. Density Functional Theory calculations indicated that derivative 1 h exhibited the lowest HOMO-LUMO energy gap 3.167 eV and was characterised as a soft molecule, suggesting strong binding capabilities. Molecular docking studies confirmed that 1 h binds favourably to the active site of trypsin with a glide score of −6.581 kcal/mol and binding energy of −29.95 kcal/mol. Along with docking studies, the stability of the trypsin-1 h complex was further analyzed using molecular dynamic simulations at 200 ns. The results showed that the ligand molecule 1 h bound strongly at the active site of trypsin. In-vitro enzyme assays determined the IC50 value of the molecule as 100 µM, demonstrating enhanced potency. These results indicate that AzPy derivatives, particularly 1 h, hold considerable promise as therapeutic agents for inflammatory disorders and cancer, paving the way for further exploration in drug development and targeted therapies. Further research is warranted to explore 1h’s efficacy, safety, and structure-activity relationships. Highlights:DFT studies were used to classify molecules based on their softness and hardness.Molecular docking, simulation, and in-vitro studies have identified potential anti-trypsin activity of candidate molecules.Experimental and computational calculations were in close agreement. DFT studies were used to classify molecules based on their softness and hardness. Molecular docking, simulation, and in-vitro studies have identified potential anti-trypsin activity of candidate molecules. Experimental and computational calculations were in close agreement.
sj-docx-1-pom-10.1177_03057356211030995 – Supplemental material for The sound of social class: Do music preferences signal status?
Creators: name: Cian, Edoardo
name: Marini, Daniele
name: Maass, Anne
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: Education
subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology

description: Supplemental material, sj-docx-1-pom-10.1177_03057356211030995 for The sound of social class: Do music preferences signal status? by Edoardo Cian, Daniele Marini and Anne Maass in Psychology of Music
Additional file 8 of Molecular control of cellulosic fin morphogenesis in ascidians
Creators: name: Lanoizelet, Maxence
name: Elkhoury Youhanna, Christel
name: Roure, Agnès
name: Darras, Sébastien
Publisher: name: figshare
Year: 2024
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional file 8: Fig. S3. Effects of BMP pathway modulation on larval tunic formation. (A-F) Phallusia mammillata. Overlay pictures between CBM3a-GFP and transmitted light for larvae from similar experiments as the ones described in Fig. 2 in lateral view (A,C,E) and dorsal views (B,D,F).  (G-I) Ciona intestinalis. Dechorionated embryos were treated with DMSO and BSA (control, G, n=57), 2.5 µM DMH1 (H), or 150 ng/ml recombinant BMP2 protein (I) from early gastrula stages (St. 10). The resulting larvae were stained with CBM3a-GFP (green). Note the absence of ventral fin in DMH1-treated larva (white arrows; observed in all of the 87 larvae examined). The median fin of BMP2-treated larva appeared normal, but numerous fibers protruding outside the tunic were visible (inset in I, observed in 96% of the 55 larvae examined). Results from a single experiment. Scale bar: 100 µm. Individual data values can be found in Additional file 7: Table S1.
Understanding the interactions between PMMA polymer and common industrial gasses: a computational xTB, DFT, SAPT and MD study
Creators: name: Krunić, Dušica
name: Armaković, Stevan
name: Bilić, Andrijana
name: Armaković, Sanja J.
name: Gavanski, Lazar
Publisher: name: Taylor & Francis
Year: 2025
Subjects: Biophysics
Biochemistry
Space Science
Physical Sciences not elsewhere classified
Medicine
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Computational Biology

description: In this paper, extended tight binding (xTB), density functional theory (DFT), symmetry-adapted perturbation theory (SAPT) and molecular dynamics (MD) simulations were used to understand the interaction between PMMA polymer and industrial gases (H2, O2, N2 and H2O). Geometrical pre-optimizations of all structures have been performed using different methods, starting with GFN2-xTB method, followed by re-optimisation with the B3LYP-D3, M06-2X and r2SCAN-3c methods. Binding energies were calculated using a semiempirical GFN2-xTB method, density functional methods B3LYP-D3 and M06-2X and composite methods r2SCAN-3c. These calculations revealed that the binding of H2O molecules to the PMMA chain is undoubtedly the strongest compared to the other investigated gases in this paper. The strengths of noncovalent interactions explained the obtained trends in binding energies. The SAPT2 calculations have provided insights into the interaction energy and charge transfer components. The PMMA and H2O systems show the strongest attractive interaction and H2 and N2 molecules show much less charge transfer, which leads to weaker interactions. O2 shows little charge transfer, leading to a moderate interaction strength with PMMA. Using MD simulations, we investigated the behaviour of gas molecules in the presence of the examined polymer, which is important for studying adsorption and solubility within the polymer matrix.
sj-docx-5-pom-10.1177_03057356211031658 – Supplemental material for Predicting emotions in music using the onset curve
Creators: name: Saiz-Clar, Elena
name: Serrano, Miguel Ángel
name: Reales, José Manuel
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: Education
subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology

description: Supplemental material, sj-docx-5-pom-10.1177_03057356211031658 for Predicting emotions in music using the onset curve by Elena Saiz-Clar, Miguel Ángel Serrano and José Manuel Reales in Psychology of Music
DOGS IN THE PAGES OF ANCIENT LITERATURE
Creators: name: Qurbonova, Gulmera
Publisher: name: Zenodo
Year: 2025

description: This article explores the diverse roles and symbolic meanings of dogs in ancient literature, examining their portrayals in works from Greece, Rome, Mesopotamia, and the Near East. It focuses on how dogs were depicted as symbols of loyalty, exemplified by Argos in Homer's 'Odyssey,' as guardians and protectors, such as Cerberus in Greek mythology, and as essential companions in hunting and daily life. The article also considers how cultural beliefs and social structures influenced these depictions, highlighting the complex relationship between humans and dogs in ancient societies. Ultimately, it demonstrates how ancient literature provides valuable insights into the enduring bond between humans and canines, revealing their significance beyond mere utility and their deep integration into the cultural narratives of the past.
title: Going Gaga
title: Pop Fandom as Online Community of Practice
titleType: Subtitle
Creators: name: Carter, John D. N.
Publisher: name: University of Kentucky Libraries
Year: 2018
Subjects: subject: Anthropological Linguistics and Sociolinguistics

description: Among various fan sites dedicated to pop stars, GagaDaily is one prominent online collective that centers around Lady Gaga. This study is a piece of ethnographic research focused on two claims – GagaDaily constitutes a Community of Practice (Eckert, 2006) in an online setting, and the regular use of humor by users fulfills social and pragmatic roles in the discourse. Communicative phenomena (both textual and graphic) that characterize the linguistic repertoire of GagaDaily members were catalogued from the first 100 pages of one thread within the forums. These data were grouped into categories corresponding to different dimensions of language use as well as media/literary devices. Alongside a quantitative analysis of various tokens and types of data, a qualitative examination of selected excerpts from the sample confirm the veracity of the two main claims. When analyzed with regard to Wenger’s definition of a Community of Practice (Wenger, 2009), GagaDaily meets all three of his requirements. Likewise, the analysis of humor reveal that GagaDaily users regularly engage in the first dichotomy of the tactics of intersubjectivity, adequation and distinction (Bucholtz & Hall, 2004) and incorporate GIF images in their humor to express their alignment with stance objects (DuBois, 2007) and other members.
Additional file 9 of Molecular control of cellulosic fin morphogenesis in ascidians
Creators: name: Lanoizelet, Maxence
name: Elkhoury Youhanna, Christel
name: Roure, Agnès
name: Darras, Sébastien
Publisher: name: figshare
Year: 2024
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional file 9: File S1. Evaluation of the mutagenesis triggered by CRISPR/Cas9. For each gene, a figure depicts: (top panel) the locus with the gene structure, essential protein domains, and the positions of sgRNA targets and PCR primers; (middle panel) a picture of an agarose gel for the different amplicons; and (bottom panel) results of Sanger sequencing at sgRNA targets' positions. Larvae with mutated locus are highlighted in orange. Each of these figures corresponds to a single experiment.
Silicon-containing heteroacenes (SCHs) for organic electronic applications
Creators: name: Sardar, Subhankar
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Inorganic Chemistry
subject: FOS: Chemical sciences

description: Singlet fission (SF) has emerged as a prominent mechanism in the improvement of efficiency of organic solar cells. The present study indicates that silicon-containing heteroacenes (SCHs) might be promising choices in the search for efficient SF compounds. Based on SF energy requirement criteria that are satisfied by the singlet and triplet states of different derivatives of SCHs, we theoretically propose new SF candidates. To modify the singlet and triplet energy levels of distinct SCHs, different groups have been added or removed from various positions of the heteroacene rings. The electron-donating, electron-withdrawing and other special substituents have been effectively incorporated to the polyaromatic hydrocarbon (PAH) rings to modify their energies of frontier molecular orbitals (FMOs) and associated properties. The molecules are examined to meet the SF driving force and triplet–triplet annihilation (TTA) criteria to determine the SF and TTA possibilities. The geometries, electronic structures, FMO energies, excited state optimisation and energy calculations associated with the SF process of the substituted SCHs are analysed and the most appropriate ones are determined. A comprehensive analysis of 154 molecules revealed 4 compounds as possible candidates for use as SF material: SX-CN, SX-SPH, PSID-SPH and HSIG-NH2.
DEALING WITH PASSIVE STUDENT IN THE CLASSROOM
Creators: name: Sharipova, Halima
Publisher: name: Zenodo
Year: 2025

description: Engaging passive students in the classroom presents a significant challenge for educators at all levels of the education system. This article explores the underlying causes of student passivity and offers a range of active strategies that educators can employ to foster greater engagement and participation among passive students. The article discusses the importance of understanding individual student needs and motivations, as well as creating an inclusive and interactive learning environment. It also highlights the role of technology, collaborative learning activities, and differentiated instruction in promoting active student participation. By applying these strategies, educators can create a more dynamic and inclusive classroom environment that empowers passive students to become more actively involved in their own learning process.
Multi-fidelity Model with Dimension Reduction
Creators: name: Liu, Bangde
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Mechanical engineering not elsewhere classified

description: In scientific and engineering applications, often sufficient low-cost low-fidelity data is available while only a small fractional of high-fidelity data is accessible. The multi-fidelity model integrates a large set of low-cost but biased low-fidelity datasets with a small set of precise but high-cost high-fidelity data to make an accurate inference of quantities of interest. Under many circumstances, the number of model input dimensions is often high in real applications. To simplify the model, dimension reduction is often used. The gradient-free active subspace is employed in this research for dimension reduction. In this work, we build a predictive model for high-dimensional nonlinear problems by integrating the nonlinear multi-fidelity Gaussian progress regression and the gradient-free active subspace method. Numerical results demonstrated that the proposed approach can not only perform effective dimension reduction on the original data but also obtain accurate prediction results thanks to the effective dimension reduction procedure.