cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Size effects on polaron formation in lead chloride perovskite thin films
Creators: name: Graupner, David R.
name: Kilin, Dmitri S.
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Physical Sciences not elsewhere classified
subject: Biotechnology
subject: Evolutionary Biology
subject: FOS: Biological sciences
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Inorganic Chemistry
subject: FOS: Chemical sciences

description: Lead halide perovskites (LHP) are of interest for light-emitting applications due to the tunability of their bandgap across the visible and near-infrared spectrum (IR) coupled with efficient photoluminescence quantum yields (PLQY). It is widely speculated that photoexcited electrons and holes spatially separate into large negative (electron) and positive (hole) polarons. Polarons are expected to be optically active. With the observed optoelectronic signatures expecting to show potential excited states within the polaronic potential well. From the polaron excited-state we predict that large polarons should be capable of spontaneous emission, photoluminescence, in the mid-IR to far-IR regime based on the concept of inverse occupations within the polaron potential well. Here we use density functional theory (DFT), including spin–orbit coupling interactions, for calculations on a two-dimensional Dion-Jacobson (DJ) lead chloride perovskite atomistic model of various sizes as a host material for either negative or positive polarons to examine the effects of size on polaron formation. This work provides computational evidence that polaron formation through selective charge injection does not show the same level of localisation for positive and negative polarons.
sj-docx-1-mcr-10.1177_10775587211042532 – Supplemental material for Breast Cancer Treatment Following Health Reform: Evidence From Massachusetts
Creators: name: Sabik, Lindsay M.
name: Eom, Kirsten Y.
name: Dahman, Bassam
name: Li, Jie
name: van Londen, G. J.
name: Bradley, Cathy J.
Publisher: name: SAGE Journals
Year: 2021
Subjects: Public Health and Health Services not elsewhere classified
Sociological Methodology and Research Methods

description: Supplemental material, sj-docx-1-mcr-10.1177_10775587211042532 for Breast Cancer Treatment Following Health Reform: Evidence From Massachusetts by Lindsay M. Sabik, Kirsten Y. Eom, Bassam Dahman, Jie Li, G. J. van Londen and Cathy J. Bradley in Medical Care Research and Review
sj-pdf-1-neu-10.1177_19714009211042886 - Supplemental material for First pass effect vs multiple passes complete reperfusion: A retrospective study
Creators: name: Hassan, Ameer E
name: Dibas, Mahmoud
name: Sarraj, Amrou
name: Ghozy, Sherief
name: El-Qushayri, Amr Ehab
name: Dmytriw, Adam A
name: Tekle, Wondwossen G
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-neu-10.1177_19714009211042886 for First pass effect vs multiple passes complete reperfusion: A retrospective study by Ameer E Hassan, Mahmoud Dibas, Amrou Sarraj, Sherief Ghozy, Amr Ehab El-Qushayri, Adam A Dmytriw and Wondwossen G Tekle in The Neuroradiology Journal
Additional file 4 of Sexual differences in neuronal and synaptic properties across subregions of the mouse insular cortex
Creators: name: Iezzi, Daniela
name: Cáceres-Rodríguez, Alba
name: Strauss, Benjamin
name: Chavis, Pascale
name: Manzoni, Olivier J.
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Neuroscience
subject: Mental Health
subject: Infectious Diseases
subject: FOS: Health sciences

description: Additional file 4: Table S1. Comparative analysis of I-V relationships and excitability in male and female anterior and posterior IC neurons.
Pancreaticobiliary Endoscopy: Look How Far We’ve Come
Creators: name: Baron, Todd H
Publisher: name: Elsevier
Year: 2024

description: Having finished my endoscopy training more than 30 years ago, I have witnessed an
amazing evolution in therapeutic endoscopy, particularly in pancreaticobiliary endoscopy
as covered in this issue of Gastrointestinal Endoscopy Clinics of North America.
Not to be outdone, my mentor, Richard A. Kozarek, has witnessed even more as a
major contributor and detailed the history of pancreaticobiliary endoscopy in his article
with Chon entitled “History of the Interventional Pancreaticobiliary Endoscopy.”
Indeed, his early work and that of others laid the foundation of what we do today.
Modeling a Dynamic System Using Fractional Order Calculus
Creators: name: Petty, Jordan D.F.
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
Fluid mechanics and thermal engineering not elsewhere classified
Mechanical engineering not elsewhere classified
Applied mathematics not elsewhere classified
Dynamical systems in applications
Numerical solution of differential and integral equations
Numerical and computational mathematics not elsewhere classified
Theoretical and applied mechanics

description: Fractional calculus is the integration and differentiation to an arbitrary or fractional order. The techniques of fractional calculus are not commonly taught in engineering curricula since physical laws are expressed in integer order notation. Dr. Richard Magin (2006) notes how engineers occasionally encounter dynamic systems in which the integer order methods do not properly model the physical characteristics and lead to numerous mathematical operations. In the following study, the application of fractional order calculus to approximate the angular position of the disk oscillating in a Newtonian fluid was experimentally validated. The proposed experimental study was conducted to model the nonlinear response of an oscillating system using fractional order calculus. The integer and fractional order mathematical models solved the differential equation of motion specific to the experiment. The experimental results were compared to the integer order and the fractional order analytical solutions. The fractional order mathematical model in this study approximated the nonlinear response of the designed system by using the Bagley and Torvik fractional derivative. The analytical results of the experiment indicate that either the integer or fractional order methods can be used to approximate the angular position of the disk oscillating in the homogeneous solution. The following research was in collaboration with Dr. Richard Mark French, Dr. Garcia Bravo, and Rajarshi Choudhuri, and the experimental design was derived from the previous experiments conducted in 2018.
Theoretical DFT and TDDFT study and experimental UV-Vis characterisation of carminic acid-tin complexes; molecular docking study of metal complexes for potential cancer therapeutic applications
Creators: name: Hernández-Ortiz, Oscar Javier
name: Pérez-Guerra, María Azucena
name: Moreno-García, Dulce María
Publisher: name: Taylor & Francis
Year: 2024
Subjects: Biophysics
Biochemistry
Space Science
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified
Cancer

description: The present study used density functional theory (DFT) and time-dependent DFT (TDDFT) to investigate the interaction between carminic acid (CA) and tin (Sn) in complexes with different stoichiometry. In addition, the formation of the metal complexes was confirmed by Ultraviolet–visible (UV-Vis) spectroscopy, which supported the theoretical predictions regarding the stoichiometric ratios. In addition, a metal atom’s influence on carminic acid’s structure was investigated by a molecular docking study with five cancer-related protein groups. The results showed that the presence of the metal enhances the interaction with these groups. Thus, it appears that the formation of the metal complex improves the optical properties of CA and its potential biological activity. The results of this study provide valuable insights into the structure and properties of CA: Sn complexes and indicate their potential for biomedical applications.
Additional file 5 of Sexual differences in neuronal and synaptic properties across subregions of the mouse insular cortex
Creators: name: Iezzi, Daniela
name: Cáceres-Rodríguez, Alba
name: Strauss, Benjamin
name: Chavis, Pascale
name: Manzoni, Olivier J.
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Neuroscience
subject: Mental Health
subject: Infectious Diseases
subject: FOS: Health sciences

description: Additional file 5: Table S2. Quantitative evaluation of amplitude, frequency, and kinetics of excitatory and inhibitory events in adult male and female of anterior and posterior IC neurons.
Morality, Epistemology, and Activism: How Anti-vaccination Advocates on Twitter Construct a Rhetoric of Alternative Immunity
Creators: name: Bruton, Mattie Elizabeth
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Philosophy of language

description: Though it is a centuries old practice, anti-vaccination has become a growing trend since the rise of the internet. Anti-vaccination rhetoric complicates neoliberal beliefs about public health and systems of medical knowledge-making. This study follows 100 Twitter accounts which advance anti-vaccination beliefs. Studying these accounts reveals that anti-vaccination is part of a larger moral and epistemological universe of belief. Anti-vaccination advocates on Twitter use a digital activist identity to create affective networks which draw from epistemologies of conspiracy theory and connect to current political events. Anti-vaccination advocates on Twitter are not uninformed. Rather, they ascribe to their own process of information legitimization. Anti-vaccination advocates on Twitter draw from their complex epistemologies and affective networks to build an alternative immunology which focuses on maintaining the purity of the individual body as a metaphor for protection of the state and of humanity
Analysis of the nature of the hydrogen bonding and cooperative effect in acid-water clusters from a theoretical perspective
Creators: name: Patla, Arnab
name: Kumari, Deepa
name: Kumar, Ankit
name: Jana, Rajib
name: Subramanian, Ranga
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Evolutionary Biology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Marine Biology
subject: Cancer
subject: Mental Health
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Computational Biology

description: Structural, topological parameters, hydrogen bond energy, hydrogen bond cooperativity, and total interaction energy of formic acid-water (Fa(H2O)n), acetic acid-water (Aa(H2O)n) clusters (n = 1-10) are evaluated using DFT, QTAIM, and SAPT theory. The investigation of optimised structures suggests that acid (RCOOH) forms three hydrogen bonds: RC(O)O−H⋯OH2, RC(O)HO⋯HOH, RCOH(O)⋯HOH. The AIM results reveal that RC(O)O−H⋯OH2 hydrogen bonds are partially covalent, and RC(O)HO⋯HOH, RCOH(O)⋯HOH bonds are covalent. The electrostatic interaction between acid and water is the primary attracting force in all of the clusters examined here, according to the SAPT study. The electron density (ρ) at the bond critical point (BCP) indicates the interaction strength. The cooperativity energy increases with the addition of water molecules in X(H2O)n (X =  Fa, Aa) clusters. The overall interaction energy and cooperative effects in Fa(H2O)n clusters are slightly higher than in Aa(H2O)n, likely due to steric hindrance from the −H and −CH3 groups as the molecules from cyclic structures. This study aims to offer new insights into the nature of hydrogen bonds and their cooperativity and total interaction energy of Fa(H2O)n and Aa(H2O)n (n = 1-10) clusters. The nature of hydrogen bonds can be obtained using atoms in molecules (AIM) theory and symmetry-adapted perturbation theory (SAPT).
A Hybrid Artificial Intelligence System for Automated EEG Background Analysis and Report Generation
Creators: name: Tung, Chin-Sung
name: Liang, Sheng-Fu
name: Chang, Shu-Feng
name: Young, Chung-Ping
Publisher: name: arXiv
Year: 2024
Subjects: subject: Artificial Intelligence (cs.AI)
subject: Signal Processing (eess.SP)
subject: FOS: Computer and information sciences
subject: FOS: Electrical engineering, electronic engineering, information engineering

description: Electroencephalography (EEG) plays a crucial role in the diagnosis of various neurological disorders. However, small hospitals and clinics often lack advanced EEG signal analysis systems and are prone to misinterpretation in manual EEG reading. This study proposes an innovative hybrid artificial intelligence (AI) system for automatic interpretation of EEG background activity and report generation. The system combines deep learning models for posterior dominant rhythm (PDR) prediction, unsupervised artifact removal, and expert-designed algorithms for abnormality detection. For PDR prediction, 1530 labeled EEGs were used, and the best ensemble model achieved a mean absolute error (MAE) of 0.237, a root mean square error (RMSE) of 0.359, an accuracy of 91.8% within a 0.6Hz error, and an accuracy of 99% within a 1.2Hz error. The AI system significantly outperformed neurologists in detecting generalized background slowing (p = 0.02; F1: AI 0.93, neurologists 0.82) and demonstrated improved focal abnormality detection, although not statistically significant (p = 0.79; F1: AI 0.71, neurologists 0.55). Validation on both an internal dataset and the Temple University Abnormal EEG Corpus showed consistent performance (F1: 0.884 and 0.835, respectively; p = 0.66), demonstrating generalizability. The use of large language models (LLMs) for report generation demonstrated 100% accuracy, verified by three other independent LLMs. This hybrid AI system provides an easily scalable and accurate solution for EEG interpretation in resource-limited settings, assisting neurologists in improving diagnostic accuracy and reducing misdiagnosis rates.
description: Example code available at https://github.com/tcs211/AI_EEEG_REPORT
Interaction of the anionic surfactant aerosol OT (AOT) with six polar solvents: a Born-Oppenheimer molecular dynamics study
Creators: name: Matrecitos-Burruel, Ana Mizrahim
name: Álvarez, Antonio
name: Juárez-Sánchez, Octavio
name: Domínguez, Héctor
name: Saint-Martin, Humberto
name: Maldonado, Amir
Publisher: name: Taylor & Francis
Year: 2025
Subjects: Biophysics
Biochemistry
Physical Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer

description: We present a theoretical study of the interaction of the surfactant Aerosol OT (AOT) with polar solvents: water, ethyleneglycol, formamide, dimethylformamide, dimethylsulfoxide and glycerol. We performed Born-Oppenheimer Molecular Dynamics (BOMD) simulations with density functional theory (DFT) to find the surfactant-solvent minimal energy configuration in each case. In agreement with previous DFT calculations, the results show that water, ethyleneglycol, formamide and glycerol molecules approach the AOT molecule and locate at a distance and orientation compatible with the formation of Hydrogen bonds. On the other hand, neither dimethylformamide nor dimethyl sulfoxide were found to get hydrogen-bonded to AOT. These results provide theoretical support to previous experimental findings. Whereas the AOT/water system displays a lamellar phase at intermediate surfactant volume fractions, this microstructure disappears when AOT is dissolved in the other polar liquids studied in this work. This may be due to the modification of the packing parameter as a consequence of the change in effective dimensions of the AOT molecule when the solvent molecules link with Hydrogen bonds. In this case, the appearance of structures with great curvature such as cylindrical micelles is expected.
Supplemental Material, sj-pdf-2-her-10.1177_19375867211030701 - Influence of Hospital Outdoor Space on Physiological Electroencephalography (EEG) Feedback of Staff
Creators: name: Cui, Weiyi
name: Li, Zao
name: Xuan, Xiaodong
name: Lu, Chao
name: Tang, Qiqiang
name: Zhou, Shaobo
name: Li, Qingtao
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: Medicine
subject: 111799 Public Health and Health Services not elsewhere classified
subject: FOS: Health sciences

description: Supplemental Material, sj-pdf-2-her-10.1177_19375867211030701 for Influence of Hospital Outdoor Space on Physiological Electroencephalography (EEG) Feedback of Staff by Weiyi Cui, Zao Li, Xiaodong Xuan, Chao Lu, Qiqiang Tang, Shaobo Zhou and Qingtao Li in HERD: Health Environments Research & Design Journal
The chemical bonding and adsorption properties of the umbelliform B6Fe cluster
Creators: name: Liu, Qiman
name: Hu, Yujie
name: Zhang, Manli
name: Wu, Xia
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Cell Biology
subject: Pharmacology
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Information Systems not elsewhere classified

description: The interesting report [J. Am. Chem. Soc. 2016, 138, 5644−5651] is that the FeB6 monolayers have pronounced stabilities, in which planar hypercoordinate Fe atoms are located at the centre of six-membered boron rings. Here, we find that the potential energy surface of the FeB6 cluster has a single deep funnel that leads down to an umbelliform structure of the global minimum with the triplet state, which is 0.17 eV lower than that of the reported C2v plane. The chemical bonding analysis by the AdNDP reveals that the FeB6 has six localised two-centre two-electron (2c–2e) B–B bonds and six localised 2c–2e B–Fe bonds|, and the remaining two 7c–1e σ bonds are delocalised over the umbelliform structure, which is further confirmed by the ELF, LOL and bond order analyses. After the CO molecule is adsorbed on the FeB6, it prefers to be located at the top site of Fe atom. The adsorption energy is 1.34 eV that is due to the σ-donation from the CO 5σ orbital to the Fe. The charge transfer makes the C–O stretching frequency and bond length have a red-shift.
Lifetime prediction of transistors: effects of temperature and water
Creators: name: Surapaneni, Chanakya Varma
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Mechanical engineering not elsewhere classified

description: Accelerated life testing (ALT) is commonly used to obtain the reliability (lifetime) of a system in a short period by applying severe stress factors (i.e. temperature, humidity, chemical etc.,) to the system. Accelerated life testing was done on 2N3904 N-P-N bipolar junction transistor. After accelerated life testing, the acceleration factor is calculated through statistical analysis to predict the lifetime of a system at a certain operating condition. Multiple temperature and water immersed experiments were conducted on transistors at various temperatures. With the obtained results, analysis was done on the data to predict lifetime of transistors at different environmental conditions. Effects of the environmental conditions on the transistors were also discussed. Corrosion effects on transistors were studied. ALTA software is used to analyze the experimental data and to calculate the lifetime of the transistors. From the obtained failure data prediction of mean time to failure at various temperatures was done.
Additional file 1 of Recreational walking and perceived environmental qualities: a national map-based survey in Denmark
Creators: name: Christiansen, Lars Breum
name: Klein-Wengel, Trine Top
name: Koch, Sofie
name: Høyer-Kruse, Jens
name: Schipperijn, Jasper
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Neuroscience
subject: Physiology
subject: FOS: Biological sciences
subject: Ecology
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified

description: Additional file 1: Table S1. Association between points of interest’ quality characteristics and sociodemographic characteristics as well as point type (the odds ratio for the POI to have a specific characteristic). Presented overall direction and significance in Table 3.
Reducing Disruptive Behavior in Students with Serious Emotional Disturbance
Creators: name: Gooding, Erika
Publisher: name: Maryland Shared Open Access Repository
Year: 2017
Subjects: subject: Education -- Research papers (Graduate).

description: The purpose of this study was to investigate the impact that a self-contained Least Restrictive Environment (LRE) with a reduced adult to student ratio would have on the frequency of SED students’ on-task behavior and overall lesson engagement throughout the school day. This study used a single-subject experimental design with two participants. The measurement tools for this study included student daily behavior logs and crisis intervention sheets. The data collected and reported in this study was not subjected to statistical analysis. However, visual analysis of the data suggests that both Student A and Student B had a higher On-task behavioral score during the treatment phase than during baseline phase. The data collected also indicates that neither student required crisis intervention, during the treatment phase. These results suggest that a self-contained setting may benefit at least some SED students. Further research should investigate the implications of this study as it relates to a larger SED student population. These supports should be analyzed using a wider pool of SED participants that may account for greater individual learning differences. Identifying possible behavior support strategies and understanding their potential positive impact within the classroom will allow educators to maximize the effectiveness of instruction for at-risk learners with disabilities.
Data And Analyses Scripts For Antonelli Zizka Et Al.
Creators: name: Antonelli, Alexandre
name: Zizka, Alexander
name: Carvalho, Antunes
name: , Bacon
name: , Silvestro
name: , Scharn
name: , Condamine
Publisher: name: Zenodo
Year: 2018
Subjects: Neotropics, biome shift, dispersal, occurrence records, phylogenies, supplementary material

description: This upload contains the input data and analyses script as mentioned in the main text. The scripts a numbered according to the order of execution and named according to their main analyses. TO rerun analyses open the .Rproj file in R studio and then open and execute the respective scripts, starting with script S01.
sj-pdf-4-aic-10.1177_0310057X211031569 - Supplemental material for John Davies Thomas: Chloroformist in London and pioneer South Australian doctor
Creators: name: Haridas, Rajesh P
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110305 Emergency Medicine
subject: FOS: Clinical medicine

description: Supplemental material, sj-pdf-4-aic-10.1177_0310057X211031569 for John Davies Thomas: Chloroformist in London and pioneer South Australian doctor by Rajesh P Haridas in Anaesthesia and Intensive Care
Theoretical investigation on excited state intramolecular proton transfer of 5-hydroxy-6,7,4'-trimethoxyflavone: state specific solvation approach versus linear response solvation
Creators: name: Das, Anita
name: Gangopadhyay, Arindam
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Physical Sciences not elsewhere classified
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Plant Biology
subject: FOS: Biological sciences

description: Flavonoids are polyphenolic organic compounds with wide range of physical and biological importance. In this article, we aimed to perform detailed structural analysis to predict photophysics of 5-hydroxy-6,7,4'-trimethoxyflavone (5HTMF) in vacuum and different solvents. The ground state optimised structure (S0) computed at DFT/CAM-B3LYP/6-31G(d,p) level, accurately correlates with experimental structure. Excited state (S1) was more polar than ground state (8.20–11.16 Debye in vacuum; 9.68–12.72 Debye in cyclohexane). The computed potential energy curves along proton transfer reaction coordinate showed inoperativeness of ground state intramolecular proton transfer. In sharp contrast, barrierless potential of first excited state confirms occurrence of excited state intramolecular proton transfer phenomenon. The absorption wavelength for S0 → S1 (Frank Condon) transition was within 304–310  nm, in different solvents. The polarity dependency of fluorescence emission for S0 ← S1 transition was negligible as compared to absorption, and significant Stoke’s shift was identified (Δλ = 467–515  nm). All these computational outputs support experimental findings and compared with parent 5-Hydroxy-flavone (5HF) molecule. Substituting three methoxy groups in 5HF shifts fluorescence emission maximum of 5HTMF to near-infrared region, increase enormous applications. Moreover, state-specific solvation method was found a practical, theoretical approach to corroborating experimental findings.
TOWARDS TIME-AWARE COLLABORATIVE FILTERING RECOMMENDATION SYSTEM
Creators: name: Wang, Dawei
Publisher: name: Purdue University Graduate School
Year: 2021
Subjects: Knowledge representation and reasoning
Operations research
Pattern recognition
Data mining and knowledge discovery

description: As technological capacity to store and exchange information progress, the amount of available data grows explosively, which can lead to information overload. The dif- ficulty of making decisions effectively increases when one has too much information about that issue. Recommendation systems are a subclass of information filtering systems that aim to predict a user’s opinion or preference of topic or item, thereby providing personalized recommendations to users by exploiting historic data. They are widely used in e-commerce such as Amazon.com, online movie streaming com- panies such as Netflix, and social media networks such as Facebook. Memory-based collaborative filtering (CF) is one of the recommendation system methods used to predict a user’s rating or preference by exploring historic ratings, but without in- corporating any content information about users or items. Many studies have been conducted on memory-based CFs to improve prediction accuracy, but none of them have achieved better prediction accuracy than state-of-the-art model-based CFs. Fur- thermore, A product or service is not judged only by its own characteristics but also by the characteristics of other products or services offered concurrently. It can also be judged by anchoring based on users’ memories. Rating or satisfaction is viewed as a function of the discrepancy or contrast between expected and obtained outcomes documented as contrast effects. Thus, a rating given to an item by a user is a compar- ative opinion based on the user’s past experiences. Therefore, the score of ratings can be affected by the sequence and time of ratings. However, in traditional CFs, pairwise similarities measured between items do not consider time factors such as the sequence of rating, which could introduce biases caused by contrast effects. In this research, we proposed a new approach that combines both structural and rating-based similarity measurement used in memory-based CFs. We found that memory-based CF using combined similarity measurement can achieve better prediction accuracy than model-based CFs in terms of lower MAE and reduce memory and time by using less neighbors than traditional memory-based CFs on MovieLens and Netflix datasets. We also proposed techniques to reduce the biases caused by those user comparing, anchoring and adjustment behaviors by introducing the time-aware similarity measurements used in memory-based CFs. At last, we introduced novel techniques to identify, quantify, and visualize user preference dynamics and how it could be used in generating dynamic recommendation lists that fits each user’s current preferences.
sj-pdf-1-ajs-10.1177_03635465211027946 – Supplemental material for Do Sideline Tests of Vestibular and Oculomotor Function Accurately Diagnose Sports-Related Concussion in Adults? A Systematic Review and Meta-analysis
Creators: name: Harris, Sarah A.
name: Dempsey, Alasdair R.
name: Mackie, Katherine
name: King, Doug
name: Hecimovich, Mark
name: Murphy, Myles C.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110314 Orthopaedics
subject: FOS: Clinical medicine
subject: 110604 Sports Medicine
subject: FOS: Health sciences
subject: 110323 Surgery

description: Supplemental material, sj-pdf-1-ajs-10.1177_03635465211027946 for Do Sideline Tests of Vestibular and Oculomotor Function Accurately Diagnose Sports-Related Concussion in Adults? A Systematic Review and Meta-analysis by Sarah A. Harris, Alasdair R. Dempsey, Katherine Mackie, Doug King, Mark Hecimovich and Myles C. Murphy in The American Journal of Sports Medicine
Practical Type and Memory Safety Violation Detection Mechanisms
Creators: name: Jeon, Yuseok
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: System and network security

description: System programming languages such as C and C++ are designed to give the programmer full control over the underlying hardware. However, this freedom comes at the cost of type and memory safety violations which may allow an attacker to compromise applications. In particular, type safety violation, also known as type confusion, is one of the major attack vectors to corrupt modern C++ applications. In the past years, several type confusion detectors have been proposed, but they are severely limited by high performance overhead, low detection coverage, and high false positive rates. To address these issues, we propose HexType and V-Type. First, we propose HexType, a tool that provides low-overhead disjoint metadata structures, compiler optimizations, and handles specific object allocation patterns. Thus, compared to prior work, HexType significantly improves detection coverage and reduces performance overhead. In addition, HexType discovers new type confusion bugs in real world programs such as Qt and Apache Xerces-C++. However, HexType still has considerable overhead from managing the disjoint metadata structure and tracking individual objects, and has false positives from imprecise object tracking, although HexType significantly reduces performance overhead and detection coverage. To address these issues, we propose a further advanced mechanism V-Type, which forcibly changes non-polymorphic types into polymorphic types to make sure all objects maintain type information. By doing this, V-Type removes the burden of tracking object allocation and deallocation and of managing a disjoint metadata structure, which reduces performance overhead and improves detection precision. Another major attack vector is memory safety violations, which attackers can take advantage of by accessing out of bound or deleted memory. For memory safety violation detection, combining a fuzzer with sanitizers is a popular and effective approach. However, we find that heavy metadata structure of current sanitizers hinders fuzzing effectiveness. Thus, we introduce FuZZan to optimize sanitizer metadata structures for fuzzing. Consequently, FuZZan improves fuzzing throughput, and this helps the tester to discover more unique paths given the same amount of time and to find bugs faster. In conclusion, my research aims to eliminate critical and common C/C++ memory and type safety violations through practical programming analysis techniques. For this goal, through these three projects, I contribute to our community to effectively detect type and memory safety violations.
The presence of triple degeneracy in molecular potential energy surfaces can now be modelled using newly found analytical function
Creators: name: Xavier, F. George D
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Neuroscience
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Inorganic Chemistry
subject: FOS: Chemical sciences

description: As the title says, an analytical function is presented with a primary objective of modelling the combined ab initio data set from three adiabatic electronic surfaces which are assumed to intersect with one another (also called coupled surfaces). The origin of this model has its basis in the 3×3 diabatic Hermitian matrix (whose entries are all purely analytic functions) and its analytic diagonalisation to obtain three analytical adiabatic energy (analytical Eigenvalues) expressions. They are mathematically exact simultaneous solutions and can be devoted to modelling the ab initio data points from intersecting surfaces. Under the approximation of unified coupling potential (all three numerically different coupling potentials being made equal, denoted as V ) approach, the simplified simultaneous solutions provide us opportunity to calculate coupling strength analytically in terms of diabatic potential energies. Such a coupling potential remains exact at seams (both doubly and triply) but only approximate at regions away from the seam. Two examples (one is a mere physical model and the other one is a realistic chemical model) are given at the end to illustrate the modelling power of the simultaneous analytical function.
sj-pdf-1-ajs-10.1177_03635465211027305 – Supplemental material for Controversy on the Association of the Critical Shoulder Angle and the Development of Degenerative Rotator Cuff Tears: Is There a True Association? A Meta-analytical Approach
Creators: name: Rojas Lievano, Jorge
name: Bautista, Maria
name: Woodcock, Santiago
name: Fierro, Guido
name: González, Juan Carlos
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110314 Orthopaedics
subject: FOS: Clinical medicine
subject: 110604 Sports Medicine
subject: FOS: Health sciences
subject: 110323 Surgery

description: Supplemental material, sj-pdf-1-ajs-10.1177_03635465211027305 for Controversy on the Association of the Critical Shoulder Angle and the Development of Degenerative Rotator Cuff Tears: Is There a True Association? A Meta-analytical Approach by Jorge Rojas Lievano, Maria Bautista, Santiago Woodcock, Guido Fierro and Juan Carlos González in The American Journal of Sports Medicine
The Need For A Standard For The Mathematical Pronunciation Of The Natural Numbers. Suggested Principles Of Design. Implementation For English, German, French, Dutch And Danish
Creators: name: Colignatus, Thomas
Publisher: name: Zenodo
Year: 2018
Subjects: number sense, counting, arithmetic, mathematical ability, invalidity, design, standards, language, pronunciation, metastudy, number processing, numerical development, inversion effects, language-moderated effects, Google Translate, Child, Child Development, Educational Measurement, Humans, Intelligence, Longitudinal Studies, Mathematics/education, Mathematics/methods, Mental Processes, Students

description: Current English for 14 is fourteen but mathematically it is ten & four. Research on number sense, counting, arithmetic and the predictive value for later mathematical abilities tends to be methodologically invalid when it doesn't measure true number sense that can develop when the numbers are pronounced in mathematical proper fashion. Researchers can correct by including proper names in the research design, but this involves some choices, and when each research design adopts a different scheme, also differently across languages, then results become incomparable. A standard would be useful, both ISO for general principles and national implementations. Research may not have the time to wait for such (inter ) national consensus. This article suggests principles of design and implementations for said languages. This can support the awareness about the need for a process towards ISO and national consensus, and in the mean time provides a baseline for research.
description: The update is to use "&" as the connective of the place value positions. Thus also for higher positions as e.g. 657 = six·hundred & five·ten & seven. The ampersand better is 1 fontsize smaller than the other text. See the developed software and http://thomascool.eu/Papers/NiceNumbers/Index.html
Exploring thermal cluster cumulant approaches for the finite temperature electronic structure problem
Creators: name: Bao, Songhao
name: Nooijen, Marcel
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Physical Sciences not elsewhere classified
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Mathematical Sciences not elsewhere classified
subject: Inorganic Chemistry
subject: FOS: Chemical sciences
subject: Computational Biology

description: This paper reviews and explores thermal cluster cumulant approaches for finite temperature electronic structure problems. We examine connections between various formulations and discuss the zero-temperature limit as well as the N-representability problem. Attempts to resolve the N-representability issue are made through the application of positivity constraints. Insights are gained from numerical tests conducted on various model magnetic systems and ab initio molecular systems. For many representative systems the current approach fails to deliver accurate results for thermal electronic structure problems at low temperature.
sj-pdf-1-sel-10.1177_17585732211032960 - Supplemental material for Treatment of acute distal biceps tendon ruptures – A survey of the British Elbow and Shoulder Society surgical membership
Creators: name: Baldwin, MJ
name: Watts, AC
name: Peach, CA
name: Phadnis, J
name: Singh, H
name: Gwilym, SE
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110314 Orthopaedics
subject: FOS: Clinical medicine
subject: 110604 Sports Medicine
subject: FOS: Health sciences
subject: 110323 Surgery

description: Supplemental material, sj-pdf-1-sel-10.1177_17585732211032960 for Treatment of acute distal biceps tendon ruptures – A survey of the British Elbow and Shoulder Society surgical membership by MJ Baldwin, AC Watts, CA Peach, J Phadnis, H Singh and SE Gwilym in Shoulder & Elbow
Additional file 1 of Tendencies towards emigration and their association with introversion and ethnocentrism among final-year medical students from Osijek, Croatia: a cross-sectional study
Creators: name: Milić, Jakov
name: Vuksan-Ćusa, Zrinka
name: Jakab, Jelena
name: Ćurčić, Maja
name: Puljak, Livia
name: Vranješ, Iva Milić
name: Miškulin, Maja
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: Cancer
subject: Science Policy
subject: Mental Health

description: Supplementary Material 1
LEWIS ACID-CATALYZED VINYL ACETAL REARRANGEMENT OF 4,5-DIHYDRO-1,3-DIOXEPINES: STEREOSELECTIVE SYNTHESIS OF CIS- AND TRANS-2,3-DISUBSTITUTED TETRAHYDROFURANS AND STRUCTURE-BASED DESIGN AND SYNTHESIS OF NOVEL INHIBITORS OF HIV-1 PROTEASE AND SARS-3CLPRO PROTEASE
Creators: name: Belcher, Miranda Raye
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Organic chemistry not elsewhere classified

description: Lewis acid-catalyzed rearrangement reactions of 4,5-dihydro-1,3-dioxepines were carried out in a highly stereoselective manner. Rearrangement of these vinyl acetals under an assortment of conditions afforded cis- or trans-2,3-disubstituted tetrahydrofuran products depending on the reaction conditions. Rearrangement reactions at lower temperatures produced the cis-2,3-disubstituted tetrahydrofuran carbaldehydes as major products whereas at elevated temperatures, the analogous trans-2,3-disubstituted tetrahydrofuran carbaldehydes prevailed as the major products. This methodology was then employed in the synthesis of some novel HIV-1 and SARS-3CLpro protease inhibitors that displayed modest to potent activity.
Online supplementary file 1 - Supplemental material for Education Reform as a Platform to Improve Interactions of the Engineering Students During Online Teaching and Learning at Higher Education Amidst Covid-19 Pandemic
Creators: name: Daminda Kuruppu, Kuruppu Achchige Dulani
Publisher: name: SAGE Journals
Year: 2021
Subjects: Education

description: Supplemental material, Online supplementary file 1, for Education Reform as a Platform to Improve Interactions of the Engineering Students During Online Teaching and Learning at Higher Education Amidst Covid-19 Pandemic by and Kuruppu Achchige Dulani Daminda Kuruppu in International Journal of Educational Reform
Portfolio Optimization with Feedback Strategies Based on Artificial Neural Networks
Creators: name: Kopeliovich, Yaacov
name: Pokojovy, Michael
Publisher: name: arXiv
Year: 2024
Subjects: subject: Portfolio Management (q-fin.PM)
subject: Computational Finance (q-fin.CP)
subject: FOS: Economics and business
subject: 91G10, 91G60, 91G80, 62M45, 49M25

description: With the recent advancements in machine learning (ML), artificial neural networks (ANN) are starting to play an increasingly important role in quantitative finance. Dynamic portfolio optimization is among many problems that have significantly benefited from a wider adoption of deep learning (DL). While most existing research has primarily focused on how DL can alleviate the curse of dimensionality when solving the Hamilton-Jacobi-Bellman (HJB) equation, some very recent developments propose to forego derivation and solution of HJB in favor of empirical utility maximization over dynamic allocation strategies expressed through ANN. In addition to being simple and transparent, this approach is universally applicable, as it is essentially agnostic about market dynamics. To showcase the method, we apply it to optimal portfolio allocation between a cash account and the S&P 500 index modeled using geometric Brownian motion or the Heston model. In both cases, the results are demonstrated to be on par with those under the theoretical optimal weights assuming isoelastic utility and real-time rebalancing. A set of R codes for a broad class of stochastic volatility models are provided as a supplement.
description: 14 pages, 5 figures
Three-fold π delocalisation bonding pattern in bowl-like B70 cluster: an all-boron analogue of the nanographene molecule C48H18
Creators: name: Wang, Kang
name: Li, Huili
name: Yin, Ming
name: Li, Yan
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Molecular Biology
subject: Neuroscience
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Astronomical and Space Sciences not elsewhere classified
subject: Developmental Biology
subject: Cancer
subject: Inorganic Chemistry
subject: FOS: Chemical sciences
subject: Mental Health

description: A chemical bonding model for the quasi-planar bowl-like B70 cluster has been presented using the canonical molecular orbital (CMO) and the adaptive natural density partitioning (AdNDP) analyses at the density functional theory (DFT) level. Chemical bonding analysis indicates that the bowl-like B70 is an all-boron analogues of one planar nanographene molecule (C48H18) featuring concentric triple π delocalisation with 6π, 12π and 30π electrons for the inner, middle and outer boron ribbons, respectively. The bonding nature of C48H18 is fully elucidated herein firstly. The infrared spectra of B70 are predicted to facilitate the future experimental characterisations. This research enriches the analogous relationship between planar boron clusters and their polycyclic aromatic hydrocarbons (PAHs) counterparts. The bowl-shaped B70 is the largest boron analogue of PAH reported to date. The unique bonding picture of concentric, three-fold π delocalisation has not been discussed previously in the literature.
Additional file 1 of A pragmatic randomized controlled trial to evaluate the efficacy and safety of an oral short-course regimen including bedaquiline for the treatment of patients with multidrug-resistant tuberculosis in China: study protocol for PROSPECT
Creators: name: Gao, Jingtao
name: Gao, Mengqiu
name: Du, Jian
name: Pang, Yu
name: Mao, Gary
name: Lounis, Nacer
name: Bakare, Nyasha
name: Jiang, Yanxin
name: Zhan, Ying
name: Liu, Yuhong
name: Li, Liang
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Pharmacology
subject: Biotechnology
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences

description: Additional file 1. SPIRIT Checklist for Trials.
A Non-Primordial Origin for the Widest Binaries in the Kuiper Belt
Creators: name: Campbell, Hunter M.
name: Anderson, Kalee E.
name: Kaib, Nathan A.
Publisher: name: arXiv
Year: 2024
Subjects: subject: Earth and Planetary Astrophysics (astro-ph.EP)
subject: FOS: Physical sciences

description: Nearly one-third of objects occupying the most circular, coplanar Kuiper belt orbits (the cold classical belt) are binary, and several percent of them are "ultra-wide" binaries (UWBs): 100-km-sized companions spaced by tens of thousands of km. UWBs are dynamically fragile, and their existence is thought to constrain early Solar System processes and conditions. However, we demonstrate that UWBs can instead attain their wide architectures well after the Solar System's earliest epochs, when Neptune's orbital migration implants the modern non-cold, or "dynamic", Kuiper belt population. During this implantation, cold classical belt binaries are likely to have close encounters with many planetesimals scattered across the region, which can efficiently dissociate any existing UWBs and widen a small fraction of tighter binaries into UWB-like arrangements. Thus, today's UWBs may not be primordial and cannot be used to constrain the early Solar System as directly as previously surmised.
description: 27 pages, 12 figures
On the interactions of cryptophane-111 and its derivative with small gaseous molecules: a DFT study
Creators: name: Moitshepisi, Thatayothe E.
name: Demissie, Taye B.
name: Keolopile, Zibo G.
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biochemistry
subject: Cell Biology
subject: Neuroscience
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Developmental Biology
subject: Virology

description: Among the cryptophane family, cryptophane-111 and its derivatives remain less explored. Insight into the binding capabilities of this small cryptophane is of interest to researchers in sensor development and host-guest chemistry. In this study, we investigated the interactions of cryptophane-111 and its derivative with six gaseous molecules, namely CH4, SO2, NH3, NO2, CO2 and H2S. Single-point energy calculations at the optimised geometry of ωB97X-D/6-311G(d,p) were performed using second-order Mϕller-Plesset perturbation theory (MP2) coupled with the cc-pVDZ basis set for energy refinement. The results revealed that cryptophane-111 is able to form complexes with the gaseous molecules in both chloroform and gas phases. The derivative of cryptophane-111, which was formed by replacing hydrogen atoms of the aromatic ring with methyl groups, was found to be a good candidate for reversible sensor application for CO2 and NO2 because of the moderate binding of these gases while the unfunctionalised cryptophane-111 is good candidate for sensitive detection of H2S and SO2 as its exhibits strong binding and stabilisation energy for these gases. NBO analysis reveals a change in electron distribution in the complexes. Spectroscopic analyses (IR and UV-vis) further support these findings, showing noticeable electronic and vibrational shifts upon encapsulation.