cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
sj-pdf-1-mso-10.1177_20552173211038030 - Supplemental material for Research interrupted: The impact of the COVID-19 pandemic on multiple sclerosis research in the field of rehabilitation and quality of life
Creators: name: Maguire, Rebecca
name: Hynes, Sinead
name: Seebacher, Barbara
name: Block, Valerie J
name: Zackowski, Kathy M
name: Jonsdottir, Johanna
name: Finlayson, Marcia
name: Plummer, Prue
name: Freeman, Jennifer
name: Giesser, Barbara
name: Geldern, Gloria von
name: Ploughman, Michelle
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110904 Neurology and Neuromuscular Diseases
subject: FOS: Clinical medicine
subject: Neuroscience

description: Supplemental material, sj-pdf-1-mso-10.1177_20552173211038030 for Research interrupted: The impact of the COVID-19 pandemic on multiple sclerosis research in the field of rehabilitation and quality of life by Rebecca Sinead Maguire Valerie J BlKathy Mock Jonsdottir Gloria vonGeldern Michelle Ploughman in Multiple Sclerosis Journal – Experimental, Translational and Clinical
Theoretical insights from computational analyses: solvent-polarity-associated excited state behaviours for the novel NP-BSD chemosensor
Creators: name: Chen, Jiahe
name: Zhang, Le
name: Gao, Ao
name: Zhao, Jinfeng
Publisher: name: Taylor & Francis
Year: 2024
Subjects: Biophysics
Biochemistry
Physical Sciences not elsewhere classified
Neuroscience
Biotechnology
Chemical Sciences not elsewhere classified
Astronomical and Space Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Mental Health

description: Given the potential luminous advantages of salicylideneaniline (SA) derivatives, in this work, the phenyl π-extension-bis(salicylidene)-1,5-diaminonaphthalene (NP-BSD) fluorophore is explored on its photo-induced reactional behaviours in solvents theoretically. Given solvent surroundings with different polarities, we studied the hydrogen-bonding interactions in different solvents and their influences on excited state proton transfer (ESPT) reaction by photoexcitation for NP-BSD fluorophore. First, photo-induced geometrical variations related to dual hydrogen bonds (O1-H2···N3 and O4-H5···N6) and infrared (IR) vibrational changes and qualitative chemical bond strength reveal excited-state hydrogen bonding enhancement. Probing into the photo-induced excitation process, the charge redistribution derived from vertical excitation confirms the tendency of ESIPT reaction for NP-BSD fluorophore. By constructing potential energy surfaces (PESs) in three aprotic polar solvents, the excited-state intramolecular double proton transfer (ESIDPT) mechanism of NP-BSD could be verified that could be regulated by solvent polarity. We clarify and present the solvent-polarity-associated ESIDPT behaviours for NP-BSD fluorophore.
Synthesis, DFT investigation, antioxidant, molecular docking and ADME-T properties of N′-(1-benzylpiperidin-4-ylidene) furan-2-carbohydrazide derivatives against SARS-CoV-2 spike proteins
Creators: name: Rajaraman, D.
name: Sonadevi, S.
name: Saritha, M.
name: Anthony, L. Athishu
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Cancer

description: A novel synthetic reaction was used to produce a piperidine derivative, specifically N′-(1-benzylpiperidin-4-ylidene)furan-2-carbohydrazide (BPFC). The structure of the synthesised compound was confirmed through FT-IR, 1H-NMR and 13C-NMR spectral analysis. DFT calculations were performed to optimise structural parameters and investigate Natural Bond Orbital (NBO) analysis, Frontier Molecular Orbitals (FMOs), Molecular Electrostatic Potentials, Mulliken Charge Analysis, and Non-linear Optical properties. The predicted chemical shift values align well with the expected results. The antioxidant properties of the newly synthesised compound were assessed using DPPH, ABTS, and H2O2 radical scavenging assays. Molecular docking studies were also carried out to explore the binding mechanism of the compound with COVID-19-related proteins, particularly 6WCF and 6LU7. Additionally, the synthesised compound was assessed for drug-likeness and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties, revealing favourable pharmacokinetic profiles without any signs of toxicity.
sj-docx-1-tan-10.1177_17562864211030363 – Supplemental material for MRI as a first-line imaging modality in acute ischemic stroke: a sustainable concept
Creators: name: Althaus, Katharina
name: Dreyhaupt, Jens
name: Hyrenbach, Sonja
name: Pinkhardt, Elmar H.
name: Kassubek, Jan
name: Ludolph, Albert C.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110904 Neurology and Neuromuscular Diseases
subject: FOS: Clinical medicine
subject: 111599 Pharmacology and Pharmaceutical Sciences not elsewhere classified

description: Supplemental material, sj-docx-1-tan-10.1177_17562864211030363 for MRI as a first-line imaging modality in acute ischemic stroke: a sustainable concept by Katharina Althaus, Jens Dreyhaupt, Sonja Hyrenbach, Elmar H. Pinkhardt, Jan Kassubek and Albert C. Ludolph in Therapeutic Advances in Neurological Disorders
Identifying Medication Safety Indicators from Current Research – A Scoping Review.
Creators: name: Salonen, Anna
name: Anna-Riia Holmström
name: Dhakal, Nisha
name: Linden-Lahti, Carita
Publisher: name: OSF Registries
Year: 2024
Subjects: subject: Pharmacy Administration, Policy and Regulation
subject: Other Pharmacy and Pharmaceutical Sciences
subject: Pharmacy and Pharmaceutical Sciences
subject: Medicine and Health Sciences
subject: Health and Medical Administration
subject: Indicator
subject: Measuring
subject: Medication safety
subject: Scoping review

description: The primary objective of this research is to identify and describe the current scientific research-based information available internationally on medication safety indicators. Studies where the effectiveness of developed indicators has been studied will also be included and results will be described. The results will provide research-based information on medication safety to health care professionals and inform the scientific community on current knowledge and research gaps in measuring medication safety.
GSEditPro: 3D Gaussian Splatting Editing with Attention-based Progressive Localization
Creators: name: Sun, Yanhao
name: Tian, RunZe
name: Han, Xiao
name: Liu, XinYao
name: Zhang, Yan
name: Xu, Kai
Publisher: name: arXiv
Year: 2024
Subjects: subject: Computer Vision and Pattern Recognition (cs.CV)
subject: FOS: Computer and information sciences

description: With the emergence of large-scale Text-to-Image(T2I) models and implicit 3D representations like Neural Radiance Fields (NeRF), many text-driven generative editing methods based on NeRF have appeared. However, the implicit encoding of geometric and textural information poses challenges in accurately locating and controlling objects during editing. Recently, significant advancements have been made in the editing methods of 3D Gaussian Splatting, a real-time rendering technology that relies on explicit representation. However, these methods still suffer from issues including inaccurate localization and limited manipulation over editing. To tackle these challenges, we propose GSEditPro, a novel 3D scene editing framework which allows users to perform various creative and precise editing using text prompts only. Leveraging the explicit nature of the 3D Gaussian distribution, we introduce an attention-based progressive localization module to add semantic labels to each Gaussian during rendering. This enables precise localization on editing areas by classifying Gaussians based on their relevance to the editing prompts derived from cross-attention layers of the T2I model. Furthermore, we present an innovative editing optimization method based on 3D Gaussian Splatting, obtaining stable and refined editing results through the guidance of Score Distillation Sampling and pseudo ground truth. We prove the efficacy of our method through extensive experiments.
description: Pacific Graphics 2024
Ab initio calculations of through-space and through-bond charge-transfer properties of interacting Janus-like PbSe and CdSe quantum dot heterostructures
Creators: name: Griffin, Hadassah B.
name: Kryjevski, Andrei B.
name: Kilin, Dmitri S.
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Neuroscience
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Cancer
subject: Inorganic Chemistry
subject: FOS: Chemical sciences

description: Heterostructure quantum dots (QDs) are composed of two QD nanocrystals (NCs) conjoined at an interface. They are useful in applications such as photovoltaic solar cells. The properties of the interface between the NCs determine the efficiency of electron–hole recombination rates and charge transfer. Therefore, a fundamental understanding of how this interface works between the two materials is useful. To contribute to this understanding, we simulated two isolated heterostructure QD models with Janus-like geometry composed of Cd33Se33 + Pb68Se68 NCs. The first Janus-like model has a bond connection between the two NCs and is approximately 16 × 17 × 29 Å3 in size. The second model has a through-space connection between the NCs and is approximately 16 × 17 × 31 Å3. We use density functional theory to simulate the ground state properties of these models. Nonadiabatic on-the-fly couplings calculations were then used to construct the Redfield Tensor, which described the excited state dynamics due to nonradiative relaxation. From our results, we identified a qualitative trend which shows that having a bond connecting the two NCs reduces hole relaxation time. We also identified for a sample of electron–hole excitations pairs that the through-bond model allows for a net positive or negative numerical net charge transfer, depending on the excitation pair.
Quantitative investigation of the nature of non-covalent interactions in 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-N-phenyl-2-thioxoacetamide: insights from crystallographic, DFT analysis, molecular docking, and molecular dynamics simulation
Creators: name: Lohith, T. N.
name: Singh, K. Ravi
name: Feizi-Dehnayebi, Mehran
name: Santhosh, C.
name: Kishorkumar, S.
name: Sridhar, M. A.
name: Sadashiva, M. P.
Publisher: name: Taylor & Francis
Year: 2024
Subjects: Biophysics
Biochemistry
Medicine
Molecular Biology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified

description: The aim of this work was to synthesise the novel compound 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-N-phenyl-2-thioxoacetamide (P1) using the reflux method with ethanol as the solvent. The obtained product is characterised by single-crystal XRD analysis. All various contacts like intra and intermolecular found in P1 were determined by the X-ray diffraction technique performed on single crystals. On the other hand, the optimisation of P1 was accomplished by the DFT/ωB97XD method at the 6–311 + G(d, p) level. Furthermore, the electrostatic potential of the molecule (MEP), and global reactivity descriptors were analysed to gain a better understanding of the electronic properties and the active sites of P1. The Quantum Theory of Atoms in Molecules (QTAIM) and non-covalent interactions-based density of regional indicator (DORI) analyses were utilised to examine the intermolecular interaction energies and strength and nature of van der Waal's interactions. A computational analysis employing molecular docking simulations was conducted to explore the potential binding interactions between the synthesised compound P1 and the target proteins, specifically SARS-CoV-2 receptor protein (PDB ID: 6LU7) and breast cancer protein (PDB ID: 3HB5). In addition, molecular docking studies are validated by the molecular dynamics simulation studies.
EXPLICIT HISTORICAL, PHONETIC, AND PHONOLOGICAL INSTRUCTION IN SECOND LANGUAGE ACQUISITION
Creators: name: Stratton, James M
Publisher: name: Purdue University Graduate School
Year: 2022
Subjects: Applied linguistics and educational linguistics
German language
Linguistic structures (incl. phonology, morphology and syntax)
Language studies not elsewhere classified
Linguistics not elsewhere classified

description: The question of whether second languages (L2s) are best learned implicitly or explicitly has been a topic of much empirical discourse, with the majority of studies pointing to the benefits of explicit instruction when learning L2 grammar rules. However, given the focus on grammar, it is unclear how generalizable these findings are to other linguistic domains, such as L2 speech and L2 vocabulary. The previous focus on laboratory-based settings, and the language bias in the literature, also make it unclear how ecologically valid and applicable these findings are to the real world. To address these macro research questions, two experiments were carried out on English-speaking L2 learners of German. Experiment I (ExI) investigated the effects of implicit and explicit learning on the acquisition of Final Obstruent Devoicing and Dorsal Fricative Assimilation. The effect of the two learning conditions on L2 perception was also measured using a perceptual discrimination task and a perceptual identification task. Experiment II (ExII) investigated the effects of explicit historical instruction on the learning of English-German cognates, which were compared to the effects of a non-explicit learning condition. To examine whether declarative knowledge of relevant historical changes can aid in vocabulary learning, an explicit condition received instruction on the Second Germanic Sound Shift, Ingvæonic Palatalization, and relevant historical semantic changes. Both experiments followed a pre-/post-/delayed-post-test design. Results indicate that the two explicit conditions significantly outperformed the non-explicit conditions, suggesting that explicit learning and explicit instruction can be beneficial when learning L2 speech and L2 vocabulary. In ExI, acoustic analyses of learner speech samples indicate that the explicit condition was more successful in the learning of the two phonological rules. In ExII, the explicit condition was more successful in the identification and learning of cognates, suggesting that knowledge of language history, and instruction on applied historical linguistics, can be beneficial when learning a language that is historically related to a language that learners already speak. The results from this dissertation are discussed in the context of implicit and explicit learning and instruction, the role of attention, and the role of declarative knowledge, with concluding remarks pointing to the importance of metacognitive and metalinguistic awareness in adult or university-level language courses.
Enhancing the optoelectronic properties of blended triphenylamine-betalain based dyes through tailoring the anchoring unit: a theoretical investigation
Creators: name: Tsere, Melkizedeck Hiiti
name: Costa, Rene
name: Deogratias, Geradius
name: Al-Qurashi, Ohoud S.
name: Wazzan, Nuha
name: Pogrebnaya, Tatiana
name: Pogrebnoi, Alexander
name: Machunda, Revocatus
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Space Science
subject: Physical Sciences not elsewhere classified
subject: Cell Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Developmental Biology

description: A series triphenyl-betalain organic dyes featuring carboxylic acid and nitro anchoring groups CH = C(X)COOH for the A1-X dyes and -CH = C(X)NO2 for the A2-X dyes, respectively, where X = CN, CH3, CCl3 and CF3 was evaluated for dye sensitised solar cells application. The geometrical structures, molecular orbitals and energies, light absorption patterns, free energies of electron injection and dye regeneration and binding to the semiconductor have been explored using DFT/TD-DFT methods. The nitro-based anchoring group resulted in pronounced red-shift in absorption spectra between 111 and 317 nm compared to carboxylic acid-based dyes. Attachment of the dyes to the semiconductor was modelled via binding to (TiO2)6H3 cluster; A2-X dyes exhibited more stable Dye@TiO2 complexes with binding energies (BEs) ranging between −4.08 and −2.88 eV compared to A1-X dyes with BEs range of −1.11 to −0.05 eV. The results evince that the dyes with CH = C(X)NO2 anchoring groups could be promising materials for light harvesting application.
Development and Application of Big Data Analytics and Artificial Intelligence for Structural Health Monitoring and Metamaterial Design
Creators: name: Wu, Rih-Teng
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Civil engineering not elsewhere classified
Dynamics, vibration and vibration control
Earthquake engineering
Other engineering not elsewhere classified
Structural engineering
Acoustics and noise control (excl. architectural acoustics)
Functional materials
Mechanical engineering not elsewhere classified
Signal processing

description: Recent advances in sensor technologies and data acquisition platforms have led to the era of Big Data. The rapid growth of artificial intelligence (AI), computing power and machine learning (ML) algorithms allow Big Data to be processed within affordable time constraints. This opens abundant opportunities to develop novel and efficient approaches to enhance the sustainability and resilience of Smart Cities. This work, by starting with a review of the state-of-the-art data fusion and ML techniques, focuses on the development of advanced solutions to structural health monitoring (SHM) and metamaterial design and discovery strategies. A deep convolutional neural network (CNN) based approach that is more robust against noisy data is proposed to perform structural response estimation and system identification. To efficiently detect surface defects using mobile devices with limited training data, an approach that incorporates network pruning into transfer learning is introduced for crack and corrosion detection. For metamaterial design, a reinforcement learning (RL) and a neural network based approach are proposed to reduce the computation efforts for the design of periodic and non-periodic metamaterials, respectively. Lastly, a physics-constrained deep auto-encoder (DAE) based approach is proposed to design the geometry of wave scatterers that satisfy user-defined downstream acoustic 2D wave fields. The robustness of the proposed approaches as well as their limitations are demonstrated and discussed through experimental data or/and numerical simulations. A roadmap for future works that may benefit the SHM and material design research communities is presented at the end of this dissertation.
Discovery of a Rare Group of Dwarf Galaxies in the Local Universe
Creators: name: Paudel, Sanjaya
name: Sabiu, Cristiano G.
name: Yoon, Suk-Jin
name: Duc, Pierre-Alain
name: Yoo, Jaewon
name: Müller, Oliver
Publisher: name: arXiv
Year: 2024
Subjects: subject: Astrophysics of Galaxies (astro-ph.GA)
subject: FOS: Physical sciences

description: We report the discovery of a rare isolated group of five dwarf galaxies located at z = 0.0086 ($D$ = 36 Mpc). All member galaxies are star-forming, blue, and gas-rich with $g-r$ indices ranging from 0.2 to 0.6 mag, and two of them show signs of ongoing mutual interaction. The most massive member of the group has a stellar mass that is half of the Small Magellanic Cloud stellar mass, and the median stellar mass of the group members is 7.87 $\times$ 10$^{7}$ M$_{\odot}$. The derived total dynamical mass of the group is $M_{\rm dyn}$ = 6.02$\times$10$^{10}$ M$_{\odot}$, whereas its total baryonic mass (stellar + HI) is 2.6$\times$10$^{9}$ M$_{\odot}$, which gives us the dynamical to baryonic mass ratio of 23. Interestingly, all galaxies found in the group are aligned along a straight line in the plane of the sky. The observed spatial extent of the member galaxies is 154 kpc, and their relative line-of-sight velocity span is within 75 km s$^{-1}$. Using the spatially resolved optical spectra provided by DESI EDR, we find that three group members share a common rotational direction. With these unique properties of the group and its member galaxies, we discuss the possible importance of such a system in the formation and evolution of dwarf galaxy groups and in testing the theory of large-scale structure formation.
description: Accepted for publication in ApJL
sj-pdf-2-jcm-10.1177_00219983211041755 - Supplemental material for Parametric sensitivity research of interference-fit bolted single-lap laminates joint based on an improved analytical stiffness model
Creators: name: Yang, Yuan
name: Zou, Peng
name: Dai, Xilin
name: Yang, Bo
name: Gao, Feng
Publisher: name: SAGE Journals
Year: 2021
Subjects: Materials Engineering not elsewhere classified

description: Supplemental material, sj-pdf-2-jcm-10.1177_00219983211041755 for Parametric sensitivity research of interference-fit bolted single-lap laminates joint based on an improved analytical stiffness model by Yuan Yang, Peng Zou, Xilin Dai, Bo Yang and Feng Gao in Journal of Composite Materials
sj-pdf-1-tia-10.1177_23312165211031130 - Supplemental material for Potential Destructive Binaural Interaction Effects in Auditory Steady-State Response Measurements
Creators: name: Watson, Sam
name: Laugesen, Søren
name: Epp, Bastian
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111708 Health and Community Services
subject: FOS: Health sciences
subject: 110315 Otorhinolaryngology
subject: FOS: Clinical medicine

description: Supplemental material, sj-pdf-1-tia-10.1177_23312165211031130 for Potential Destructive Binaural Interaction Effects in Auditory Steady-State Response Measurements by Sam Watson, Søren Laugesen and Bastian Epp in Trends in Hearing
title: Journée d’étude des Masters LLCER : Détournements – Renouvellements
Publisher: name: Centre d'Enseignement Multimédia Universitaire (C.E.M.U.) Université de Caen Normandie
Year: 2025

description: Journée d’étude des Masters LLCER : Détournements – Renouvellements
VIBRO-ACOUSTIC MONITORING OF NESTED PLANETARY GEAR TRAINS
Creators: name: Feng, Jianxiong
Publisher: name: Purdue University Graduate School
Year: 2022
Subjects: Acoustics and noise control (excl. architectural acoustics)
Mechanical engineering not elsewhere classified

description: Gear systems are major components in the modern power transmission system, especially in the automobile industry. In recent years, with the auto transmission function development, more compound gears have been utilized for better transmission speed ratio control and space-saving. The nested planetary gear train is widely applied among the newly designed compound gear trains due to its compactness. However, the nested gear train noise and vibration issue have not been studied extensively. In the current study, the vibrational and acoustical monitoring prototype will be developed to monitor the nested planetary manufacturing accuracy in the production line. Firstly, a novel testing fixture with the vertical and open setup is proposed to be used to monitor the gear, which is different from most gear condition monitoring studies. The open setup allows the accelerometer to be mounted directly on different clutches to monitor both carriers in the nested two-stage gear system closely. The test setup also enables the acoustical array to be implemented. Gear carriers with different pinion faults or damages are tested with both vibrational and acoustical sensors to identify the pinion gear error type and location. The vibrational data are processed with several classical rotating machinery signal processing techniques, including: (1) time synchronous averaging; (2) modulation sideband analysis; (3) modulation sideband modeling; (4) narrowband demodulation. Those techniques are also partially modified to adapt for the nested planetary structure monitoring. The results show that the unground or damaged pinions can be successfully identified and localized. Besides vibrational signal monitoring, an acoustical array is also proposed for noise source visualization and localization of the outer gearset (stage-2). The virtual rotating array (VRA) methods are proposed to de-Ddopperize the rotating source sound signals measured at stationary receivers. The VRA signals are subsequently used as input of the equivalent source based compressive sensing holography for high-resolution localization of the compact rotating sources. Both time-domain VRA and frequency domain VRA methods are studied and further developed for improved computational efficiency in terms of the VRA process. The new developments of the acoustical imaging system for rotating source localization are validated numerically and experimentally. Last but not least, the acoustical imaging system has also been successfully applied to the unground gear condition monitoring in the outer gearset of the nested gear train.
Additional file 3 of “They seemed to be like cogs working in different directions”: a longitudinal qualitative study on Long COVID healthcare services in the United Kingdom from a person-centred lens
Creators: name: Fang, Chao
name: Baz, Sarah Akhtar
name: Sheard, Laura
name: Carpentieri, J. D.
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Cancer
subject: Science Policy
subject: Mental Health

description: Supplementary Material 3.
Unsupervised Congestion Status Identification Using LMP Data
Creators: name: Zheng, Kedi
name: Chen, Qixin
name: Wang, Yi
name: Kang, Chongqing
name: Xie, Le
Publisher: name: arXiv
Year: 2024
Subjects: subject: Systems and Control (eess.SY)
subject: Machine Learning (cs.LG)
subject: FOS: Electrical engineering, electronic engineering, information engineering
subject: FOS: Computer and information sciences

description: Having a better understanding of how locational marginal prices (LMPs) change helps in price forecasting and market strategy making. This paper investigates the fundamental distribution of the congestion part of LMPs in high-dimensional Euclidean space using an unsupervised approach. LMP models based on the lossless and lossy DC optimal power flow (DC-OPF) are analyzed to show the overlapping subspace property of the LMP data. The congestion part of LMPs is spanned by certain row vectors of the power transfer distribution factor (PTDF) matrix, and the subspace attributes of an LMP vector uniquely are found to reflect the instantaneous congestion status of all the transmission lines. The proposed method searches for the basis vectors that span the subspaces of congestion LMP data in hierarchical ways. In the bottom-up search, the data belonging to 1-dimensional subspaces are detected, and other data are projected on the orthogonal subspaces. This procedure is repeated until all the basis vectors are found or the basis gap appears. Top-down searching is used to address the basis gap by hyperplane detection with outliers. Once all the basis vectors are detected, the congestion status can be identified. Numerical experiments based on the IEEE 30-bus system, IEEE 118-bus system, Illinois 200-bus system, and Southwest Power Pool are conducted to show the performance of the proposed method.
description: Paper accepted for IEEE Transactions on Smart Grid. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses
Using the UTAUT2 Model to Explain the Intention to Use Phone Biometrics
Creators: name: McCartney, Lais A
Publisher: name: Purdue University Graduate School
Year: 2022
Subjects: Information systems organisation and management
Other information and computing sciences not elsewhere classified

description: Biometric technology is used in daily life, for authentication purposes. Perceptions about the privacy and security of biometrics are of great interest (Olorunsola et al., 2020). Ho et al. (2003) specifically added privacy to their biometric acceptance model as a potential influence on intention to use the technology since privacy about biometrics was found to be peoples’ primary concern. Surveys of perceptions and use of technology (Buckley & Nurse 2019; Carpenter et al. 2018; Olorunsola et al. 2020) have used many different models to predict people's willingness to use biometrics. Venkatesh, Thong, et al (2012) used the reliable and valid UTUAT2 (Unified Theory of Acceptance and Use of Technology), a consumer-based model, with phone biometrics. Could the UTAUT2 model explain variance in intention to use phone biometrics? Phone biometrics are defined as biometrics used on a mobile smartphone but are referred to as phone biometrics throughout this study. A survey using the UTAUT2 basic questions was posed to n = 329 people who owned a mobile phone, lived in the United States, and used phone biometrics, to see if the model explained the “intention to use” phone biometrics. An example application of phone biometrics was biometrics used on a personal phone. Example use cases included using biometrics to unlock a phone, using fingerprints or face, or opening or authenticating specific applications within the phone.
 Venkatesh developed the UTAUT2 model to explain the intention to use in a consumer setting. His earlier model (UTAUT) examined intention to use in an organizational setting. The challenge was that these models are old (the UTAUT2 model is almost ten years old at the time of writing), and phone biometrics is a rapidly changing consumer technology. The overarching research question is whether the UTAUT2 model can explain the intention to use phone biometrics. The results showed that UTAUT2 constructs accounted for 79.1% of the variation in intention to use phone biometrics.
Uncovering excited state behaviours associated with electron-withdrawing CN and electron-donating TPA moieties on SAA derivatives: a theoretical study
Creators: name: Chen, Jiahe
name: Zhao, Jinfeng
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Cell Biology
subject: Sociology
subject: FOS: Sociology

description: Inspired by the excellent photochemical characteristics exhibited by salicylaldehyde azine (SAA) derivatives, our current endeavour primarily revolves around delving into the intricacies of photo-induced excited state reactions for its electron-donating and electron-withdrawing moieties derivatives (i.e. CN-SAA-CN, CN-SAA-TPA and TPA-SAA-TPA). Our simulations reveal push–pull-substituted-dependent photoexcitation that could significantly affect excited state intramolecular proton transfer (ESIPT) reaction for SAA derivatives. Constructing potential energy surfaces (PESs), we unveil the ultrafast ESIPT mechanism due to the low potential barriers. Additionally, by comparing the differences of barriers among CN-SAA-CN, CN-SAA-TPA and TPA-SAA-TPA, we present regulative manner for SAA derivatives by substituting electron-donating and electron-withdrawing moieties. We sincerely anticipate that the modulation of push–pull substitutions on excited state behaviours will pave the way for ground-breaking advancements in luminescent materials.
Additional file 4 of “They seemed to be like cogs working in different directions”: a longitudinal qualitative study on Long COVID healthcare services in the United Kingdom from a person-centred lens
Creators: name: Fang, Chao
name: Baz, Sarah Akhtar
name: Sheard, Laura
name: Carpentieri, J. D.
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Cancer
subject: Science Policy
subject: Mental Health

description: Supplementary Material 4.
sj-pdf-1-pic-10.1177_09544062211026343 - Supplemental material for Comprehensive performance analysis of a shearer drum in a complicated seam based on discrete element method
Creators: name: Zhao, Lijuan
name: Zhang, Meichen
name: Shi, Baisheng
name: Liu, Xionghao
name: Wang, Yadong
Publisher: name: SAGE Journals
Year: 2021
Subjects: Engineering not elsewhere classified

description: Supplemental material, sj-pdf-1-pic-10.1177_09544062211026343 for Comprehensive performance analysis of a shearer drum in a complicated seam based on discrete element method by Lijuan Zhao, Meichen Zhang, Baisheng Shi, Xionghao Liu and Yadong Wang in Proceedings of the Institution of Mechanical Engineers, Part C: Journal of Mechanical Engineering Science
Primordial blackhole formation: Exploring chaotic potential with a sharp step via the GLMS perspective
Creators: name: Thomas, Rinsy
name: Thomas, Jobil
name: Joy, Minu
Publisher: name: arXiv
Year: 2024
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: FOS: Physical sciences

description: A sharp step on a chaotic potential can enhance primordial curvature fluctuations on smaller scales to the $\mathcal{O}(10^{-2})$ to form primordial black holes (PBHs). The present study discusses an inflationary potential with a sharp step that results in the formation of PBHs in four distinct mass ranges. Also this inflationary model allows the separate consideration of observable parameters $n_s$ and $r$ on the CMB scale from the physics at small scales, where PBHs formation occur. In this work we computed the fractional abundance of PBHs ($f_{PBH}$) using the GLMS approximation of peak theory and also the Press-Schechter (PS) formalism. In the two typical mass windows, $10^{-13}M_\odot$ and $10^{-11}M_\odot$, $f_{PBH}$ calculated using the GLMS approximation is nearly equal to 1 and that calculated via PS is of $10^{-3}$. In the other two mass windows $1M_\odot$ and $6M_\odot$, $f_{PBH}$ obtained using GLMS approximation is 0.01 and 0.001 respectively, while $f_{PBH}$ calculated via PS formalism yields $10^{-5}$ and $10^{-6}$. The results obtained via GLMS approximation are found to be consistent with observational constraints. A comparative analysis of $f_{PBH}$ obtained using the GLMS perspective and the PS formalism is also included.
An accurate full-dimensional potential energy surface of the hydrogen sulfide dimer system and its kinetics for the hydrogen exchange channel
Creators: name: Deng, Feiwen
name: Liu, Yang
name: Li, Junhong
name: Li, Jun
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Medicine
subject: Molecular Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified

description: The hydrogen sulfide cluster exhibits weak interaction, which plays a crucial role in biomolecules, superconductivity, etc. Hydrogen sulfide dimer, (H2S)2, as a relatively simple system containing this interaction, is a preferred subject for studying this weak interaction and has attracted significant attention recently. In this work, an accurate full-dimensional potential energy surface (PES) for the (H2S)2 system is reported using the permutationally invariant polynomial-neural network (PIP-NN) method. The energies for the sampled 106,952 configurations are calculated using the CCSD(T)-F12a/AVTZ method, with the Boys-Bernardi counterpoise method used to eliminate basis set superposition errors (BSSE). The total root-mean square error (RMSE) of the final PIP-NN PES is only 0.019 kcal mol−1. The PES can reproduce well the structures, energies, and harmonic frequencies of the nine stationary points, five stationary isomers and four transition states. Two new hydrogen exchange reaction channels are included in the current PES. The rate coefficients of the hydrogen exchange channels are calculated using both conventional transition state theory (TST) and canonical variational theory (CVT) with the quantum tunneling correction treated by the zero-curvature tunneling (ZCT) and small curvature tunneling (SCT) methods.
sj-pdf-1-mcs-10.1177_01634437211037008 – Supplemental material for Media coverage of COVID-19 state surveillance in Israel: the securitization and militarization of a civil-medical crisis
Creators: name: Marciano, Avi
name: Yadlin, Aya
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 200199 Communication and Media Studies not elsewhere classified
subject: FOS: Media and communications
subject: 200299 Cultural Studies not elsewhere classified
subject: FOS: Other humanities

description: Supplemental material, sj-pdf-1-mcs-10.1177_01634437211037008 for Media coverage of COVID-19 state surveillance in Israel: the securitization and militarization of a civil-medical crisis by Avi Marciano and Aya Yadlin in Media, Culture & Society
DFT-guided understanding of ester-alcohol interactions: experimental validation
Creators: name: Almasi, Mohammad
name: Neyband, Razieh Sadat
Publisher: name: Taylor & Francis
Year: 2025
Subjects: Biophysics
Biochemistry
Medicine
Cell Biology
Chemical Sciences not elsewhere classified
Cancer

description: A detailed theoretical investigation was conducted using Density Functional Theory (DFT) at the M05-2X/6-31G(d,p) level to explore the molecular interactions in binary mixtures of methyl heptanoate and 2-alkanols (2-propanol, 2-butanol, 2-pentanol, and 2-hexanol). The optimised geometries, topological properties, vibrational spectra, NMR characteristics, and molecular orbitals of the complexes were analyzed, revealing the critical influence of alkyl chain length on the hydrogen bonding strength and interaction nature. The computational findings were complemented by experimental data, which examined the mixtures across a temperature range of 293.15 K to 323.15 K. The experimental results indicated positive excess molar volumes, suggesting weak intermolecular forces, while a decrease in excess volume with increasing alkyl chain length was attributed to improved molecular packing. Viscosity deviations were consistently negative and diminished with temperature, aligning with the weakening of attractive forces at elevated temperatures.
Does Religion Matter? A study of religion, sex ratio, son preference, and abortion attitude in China
Creators: name: Tong, Yunping
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Sociology not elsewhere classified

description: The sex ratio at birth in China has been increasingly skewed in favor of males since 1980 when the government implemented the one-child policy to control population growth. Existing studies commonly point to economic factors and their weakening effect on the Confucian tradition of son preference to understand the male-biased sex ratio at birth; however, a perspective that heavily focuses on economic factors is limited. In this dissertation, I argue that bringing in religion – a key factor shaping individual attitudes and decisions related to son preference – can shed important light upon sex ratio at birth patterns in China.This dissertation is divided into three empirical chapters. The first study explores religious effects on county-level sex ratios at birth using data from the 2000 China Population Census and the 2004 China Economic Census. Findings reveal that greater Daoist presence is associated with more imbalanced sex ratios in the county, while the presence of Islamic and Buddhist places of worship helps mitigate male-biased sex ratios. Study two askes how religious groups vary in their preferences for sons and sex selection decisions using data from the 2010 Chinese General Social Survey (CGSS). Findings suggest that Christians stand out for their weak son preference and refrain from sex selection, while Daoists hold strong son preference and more likely to practice sex selection to have many sons. The last study uses the CGSS data to explore whether religion shapes abortion attitudes among Chinese people. It shows that Islam and Christianity have a strong influence on the disapproval of abortion, and while affiliating with Daoism does not affect one’s approval of abortion, living in a neighborhood with more Daoists significantly reduces one’s approval of abortion.These studies together demonstrate that religion is an important factor shaping not only individual attitudes and behaviors but also demographic trends in society. This dissertation serves as the first study that investigates the linkage between religion and demographic trends by examining how religion – both individual religious affiliation and religious context in a locality – affects the sex ratio at birth via shaping individual son preferences, sex selection decisions, and abortion attitudes. By highlighting religion – a factor that has been overlooked in demographic studies of China – this study contributes to a more nuanced understanding of imbalanced sex ratios and its determinants.
sj-docx-1-psx-10.1177_00323217211027480 – Supplemental material for Where Do the Less Affluent Vote? The Effect of Neighbourhood Social Context on Individual Voting Intentions in England
Creators: name: Jöst, Prisca
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 160607 International Relations
subject: FOS: Political science

description: Supplemental material, sj-docx-1-psx-10.1177_00323217211027480 for Where Do the Less Affluent Vote? The Effect of Neighbourhood Social Context on Individual Voting Intentions in England by Prisca Jöst in Political Studies
sj-pdf-1-smm-10.1177_09622802211037068 - Supplemental material for Bayesian approaches to the weighted kappa-like inter-rater agreement measures
Creators: name: Tran, Quoc Duyet
name: Demirhan, Haydar
name: Dolgun, Anil
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111708 Health and Community Services
subject: FOS: Health sciences
subject: 111099 Nursing not elsewhere classified
subject: 160807 Sociological Methodology and Research Methods
subject: FOS: Sociology

description: Supplemental material, sj-pdf-1-smm-10.1177_09622802211037068 for Bayesian approaches to the weighted kappa-like inter-rater agreement measures by Quoc Duyet Tran, Haydar Demirhan and Anil Dolgun in Statistical Methods in Medical Research
CURRЕNT STАTЕ ОF TЕАCHING THЕ SРЕCIАLIZЕD РЕDАGОGICАL MОDULЕ АND FЕАTURЕS ОF DЕVЕLОРING STUDЕNT MОTIVАTIОN
Creators: name: Djаvlаnоvа, Nоdirа
name: Аtаbауеv, Inоmjоn
Publisher: name: Zenodo
Year: 2025

description: This аrticlе аnаlуzеs mоdеrn аррrоаchеs tо tеаching sреciаl реdаgоgу, mеthоds оf incrеаsing studеnts' intеrnаl mоtivаtiоn tо lеаrn, аnd innоvаtivе mеthоds usеd tо incrеаsе thе еffеctivеnеss оf thе еducаtiоnаl рrоcеss. Thе аrticlе рrеsеnts еffеctivе tооls such аs brаinstоrming, рrоblеm situаtiоns, intеrаctivе lеssоns, аnd infоrmаtiоn аnd cоmmunicаtiоn tеchnоlоgiеs.
The skew generalized Von Neumann Jordan constant in the unit sphere
Creators: name: Wang, Yuxin
name: Liu, Qi
name: Xia, Jinyu
name: Huang, Shuaizhe
Publisher: name: arXiv
Year: 2024
Subjects: subject: Functional Analysis (math.FA)
subject: FOS: Mathematics
subject: F.2.2; I.2.7
subject: 46B20, 46C15

description: In this paper, we introduce a new constant for Banach spaces, denoted as $\widetilde{C}_{\mathrm{NJ}}^p(ξ, v, X)$. We provide calculations for both the lower and upper bounds of this constant, as well as its exact values in certain Banach spaces. Furthermore, we give the inequality relationship between the $\widetilde{C}_{\mathrm{NJ}}^p(ξ, v, X)$ constant and the other two constants. Besides, we establish an equivalent relationship between the $\widetilde{C}_{\mathrm{NJ}}^p(ξ, v, X)$ constant and the $\widetilde{C}_{\mathrm{NJ}}^{(p)}(X)$ constant. Specifically, we shall exhibit the connections between the constant $\widetilde{C}_{\mathrm{NJ}}^p(ξ, v, X)$ and certain geometric characteristics of Ba nach spaces, including uniform convexity and uniform nonsquareness. Additionally, a sufficient condition for uniform normal structure about the $\widetilde{C}_{\mathrm{NJ}}^p(ξ, v, X)$ constant is also established.
description: 19 pages
Identification of Neurotoxic Targets of Diverse Chemical Classes of Dietary Neurotoxins/Neurotoxicants
Creators: name: Foguth, Rachel M
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Central nervous system
Toxicology (incl. clinical toxicology)

description: Neurological disorders are a major public health concern due to prevalence, severity of symptoms, and impact on caregivers and economic losses. While genetic susceptibility likely has a role in most cases, exposure to toxicants can lead to neurotoxicity, including potentially developmental origins of adult disease or increased risk of disease onset. These exposures are not necessarily large, acute exposures, but could accumulate, with a chronic low-dose exposure, causing toxicity. This research focuses on the potential neurotoxicity of two classes of dietary toxins/toxicants, heterocyclic aromatic amines (HAAs) and per- and polyfluoroalkyl substances (PFAS). HAAs, such as PhIP, harmane, and harmine, are formed in charred or overcooked meat, coffee, tobacco, and other foods. PFAS are largely used in making household materials, but are found in small amounts in eggs and dairy products and largely in contaminated water. While these two classes are diverse in terms of structure, common neurotoxic targets and mechanisms often exist. Therefore, we tested the effects of these chemicals on cell viability and neurotoxicity. In the first aim, we aimed to elucidate the mechanism of toxicity of harmane and harmine, focusing on their ability to cause mitochondrial dysfunction. The second aim was to determine the effects of either harmane or PhIP on the nigrostriatal motor systems and motor function of rats and mice, respectively. The third aim determined the effects of PFAS on neurodevelopment of Northern leopard frogs, focusing on changes in neurotransmitter levels and accumulation in the brain. Harmane did not cause motor dysfunction, but potentially affected the nigro-striatal motor system in an age- or sex-dependent manner. PhIP had differential effects on dopamine levels over time and caused motor dysfunction after subchronic exposure in mice. Perfluorooctane sulfonate (PFOS) accumulated in the brains of frogs and PFAS caused changes in neurotransmitter levels that were dose- and time-dependent. Overall, this research shows that toxins/toxicants humans are exposed to over their whole lives through their diet and contaminated water can cause neurotoxicity, potentially leading to or increasing risk of disease states.
Synthesis, spectroscopic, computational, topology, and molecular docking studies on N,N'-(4-methyl-1,3-phenylene)bis(1-(2,4-dichlorophenyl)methanimine)
Creators: name: Ganesan, T. Sankar
name: Elangovan, Natarajan
name: Ranjith, P.
name: Arumugam, Natarajan
name: Almansour, Abdulrahman I.
name: Chandrasekar, S.
name: Thomas, Renjith
Publisher: name: Taylor & Francis
Year: 2024
Subjects: Biochemistry
Physical Sciences not elsewhere classified
Pharmacology
Environmental Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified

description: The study extensively examined N,N'-(4-methyl-1,3-phenylene)bis(1-(2,4-dichlorophenyl)methanimine) (6D). Advanced spectroscopic techniques, including IR, Raman, NMR, and UV-VIS spectroscopies, were employed to analyse the molecule. The Schiff base was ultimately confirmed using NMR spectrum analysis. The UV-VIS study revealed a notable bathochromic change in the compound, indicating their electronic transitions. By using the HOMO–LUMO bond gap the titled compound reactivity sites were identified. The compound 6D HOMO–LUMO band gap is 3.70 eV. Various wave function investigations like MESP, HOMO–LUMO, RDG, ELF, LOL, and ALIE were conducted to elucidate the distribution of electronic charge, providing valuable insights into the behaviour of molecules. The biological probability of the synthesised compound was extensively assessed using a docking study. Using MEP and HOMO–LUMO investigations, we confirm nucleophilic and electrophilic attacking sites. In the docking study, the protein Bovine cytochrome bc1 complex stigma Tellin bound (PDB ID–1PP9) was downloaded. The docking study identified the most stable minimum binding energy is –6.26 kcal/mol.