cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Ameliorating Environmental Effects on Hyperspectral Images for Improved Phenotyping in Greenhouse and Field Conditions
Creators: name: Ma, Dongdong
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Agricultural engineering
Agronomy
Pattern recognition
Data mining and knowledge discovery
Artificial intelligence not elsewhere classified

description: Hyperspectral imaging has become one of the most popular technologies in plant phenotyping because it can efficiently and accurately predict numerous plant physiological features such as plant biomass, leaf moisture content, and chlorophyll content. Various hyperspectral imaging systems have been deployed in both greenhouse and field phenotyping activities. However, the hyperspectral imaging quality is severely affected by the continuously changing environmental conditions such as cloud cover, temperature and wind speed that induce noise in plant spectral data. Eliminating these environmental effects to improve imaging quality is critically important. In this thesis, two approaches were taken to address the imaging noise issue in greenhouse and field separately. First, a computational simulation model was built to simulate the greenhouse microclimate changes (such as the temperature and radiation distributions) through a 24-hour cycle in a research greenhouse. The simulated results were used to optimize the movement of an automated conveyor in the greenhouse: the plants were shuffled with the conveyor system with optimized frequency and distance to provide uniform growing conditions such as temperature and lighting intensity for each individual plant. The results showed the variance of the plants’ phenotyping feature measurements decreased significantly (i.e., by up to 83% in plant canopy size) in this conveyor greenhouse. Secondly, the environmental effects (i.e., sun radiation) on aerial hyperspectral images in field plant phenotyping were investigated and modeled. An artificial neural network (ANN) method was proposed to model the relationship between the image variation and environmental changes. Before the 2019 field test, a gantry system was designed and constructed to repeatedly collect time-series hyperspectral images with 2.5 minutes intervals of the corn plants under varying environmental conditions, which included sun radiation, solar zenith angle, diurnal time, humidity, temperature and wind speed. Over 8,000 hyperspectral images of corn (Zea mays L.) were collected with synchronized environmental data throughout the 2019 growing season. The models trained with the proposed ANN method were able to accurately predict the variations in imaging results (i.e., 82.3% for NDVI) caused by the changing environments. Thus, the ANN method can be used by remote sensing professionals to adjust or correct raw imaging data for changing environments to improve plant characterization.
sj-pdf-4-uix-10.1177_01617346211041023 – Supplemental material for Is There a Difference Between the Joint Ultrasounds of Healthy Women and Men? A Study With Small, Medium, and Large Joints
Creators: name: Nunes-Tamashiro, Jose Carlos
name: Natour, Jamil
name: Pereira, Daniele Freitas
name: Machado, Flavia S.
name: Takahashi, Rogerio D.
name: Furtado, Rita Nely Vilar
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 90399 Biomedical Engineering not elsewhere classified
subject: FOS: Medical engineering

description: Supplemental material, sj-pdf-4-uix-10.1177_01617346211041023 for Is There a Difference Between the Joint Ultrasounds of Healthy Women and Men? A Study With Small, Medium, and Large Joints by Jose Carlos Nunes-Tamashiro, Jamil Natour, Daniele Freitas Pereira, Flavia S. Machado, Rogerio D. Takahashi and Rita Nely Vilar Furtado in Ultrasonic Imaging
Equilibrium values for the Ge-H bond length and equilibrium structures of germyl bromide and germyl iodide
Creators: name: Demaison, Jean
name: Liévin, Jacques
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Biological Sciences not elsewhere classified
subject: Hematology
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Plant Biology

description: An accurate equilibrium structure of the Ge-X bond length (X = F, Cl, Br, I) in germyl halides, GeH3X, was determined. For this goal, the experimental ground state moments of inertia, I0, were corrected with the help of an empirical correlation between the rovibrational correction, Ie – I0, and the ground state moment of inertia, I0. For the r(Ge-H) bond length and the ∠(HGeH) bond angle, high-level ab initio values were used. To check the accuracy of the structures, they were compared to the results of all electron CCSD(T) calculations using basis sets of quadruple zeta quality. Furthermore, as a further check, a linear correlation between the re(Ge-X) and the re(Si-X) bond lengths was observed. Graphical abstract
sj-pdf-1-vas-10.1177_17085381211040984 – Supplemental Material for Machine learning prediction of diabetic foot ulcers in the inpatient population
Creators: name: Stefanopoulos, Stavros
name: Ayoub, Samar
name: Qiu, Qiong
name: Ren, Gang
name: Osman, Mohamed
name: Nazzal, Munier
name: Ahmed, Ayman
Publisher: name: SAGE Journals
Year: 2021
Subjects: Cardiology

description: Supplemental Material, sj-pdf-1-vas-10.1177_17085381211040984 for Machine learning prediction of diabetic foot ulcers in the inpatient population by Stavros Stefanopoulos, Samar Ayoub, Qiong Qiu, Gang Ren, Mohamed Osman, Munier Nazzal and Ayman Ahmed in Vascular
Supplemental Material, sj-pdf-1-ajh-10.1177_10499091211042860 - Spiritual Care Assessment and Intervention (SCAI) for Adult Outpatients With Advanced Cancer and Caregivers: A Pilot Trial to Assess Feasibility, Acceptability, and Preliminary Effects
Creators: name: Perez, Shelley E. Varner
name: Maiko, Saneta
name: Burke, Emily S.
name: Slaven, James E.
name: Johns, Shelley A.
name: Smith, Olivia J.
name: Helft, Paul R.
name: Kozinski, Kathryn
name: Torke, Alexia M.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111099 Nursing not elsewhere classified
subject: FOS: Health sciences
subject: 111702 Aged Health Care

description: Supplemental Material, sj-pdf-1-ajh-10.1177_10499091211042860 for Spiritual Care Assessment and Intervention (SCAI) for Adult Outpatients With Advanced Cancer and Caregivers: A Pilot Trial to Assess Feasibility, Acceptability, and Preliminary Effects by Shelley E. Varner Perez, Saneta Maiko, Emily S. Burke, James E. Slaven, Shelley A. Johns, Olivia J. Smith, Paul R. Helft, Kathryn Kozinski and Alexia M. Torke in American Journal of Hospice and Palliative Medicine®
Additional file 4 of A brief version of the Attitudes to Ageing Questionnaire for older Chinese adults: development and psychometric evaluation
Creators: name: Gao, Lin
name: Laidlaw, Ken
name: Wang, Dahua
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Environmental Sciences not elsewhere classified
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Science Policy

description: Supplementary Material 4
sj-pdf-1-sgo-10.1177_21582440211036109 – Supplemental material for High Frequency Words Produced by Typically Developing Mandarin-Speaking Children Between 3 and 6 Years of Age
Creators: name: Wu, Shang-Yu
name: Lin, Shanju
name: Huang, Rei-Jane
name: Tsai, I-Fang
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 200199 Communication and Media Studies not elsewhere classified
subject: FOS: Media and communications
subject: 160299 Criminology not elsewhere classified
subject: FOS: Law
subject: Education
subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology
subject: Sociology
subject: FOS: Sociology

description: Supplemental material, sj-pdf-1-sgo-10.1177_21582440211036109 for High Frequency Words Produced by Typically Developing Mandarin-Speaking Children Between 3 and 6 Years of Age by Shang-Yu Wu, Shanju Lin, Rei-Jane Huang and I-Fang Tsai in SAGE Open
Supplemental Material, sj-pdf-1-ear-10.1177_01455613211040368 - Treatment of Postinfectious Olfactory Dysfunction Using Corticosteroids
Creators: name: Duan, Hong-Gang
name: Ji, Fang
name: Yan, Mao-Xiao
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110315 Otorhinolaryngology
subject: FOS: Clinical medicine

description: Supplemental Material, sj-pdf-1-ear-10.1177_01455613211040368 for Treatment of Postinfectious Olfactory Dysfunction Using Corticosteroids by Hong-Gang Duan, Fang Ji and Mao-Xiao Yan in Ear, Nose & Throat Journal
Theoretical explorations about excited-state behaviours associated with solvent polarity effects for 1,5-dihydroxy-2,6-diphenylanthraquinone fluorophore
Creators: name: Luo, Xiangyi
name: Chen, Jiahe
name: Lin, Hongyu
name: Liu, Guoqing
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Cell Biology
subject: Neuroscience
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Mental Health
subject: Hematology
subject: Plant Biology
subject: FOS: Biological sciences

description: In this study, we theoretically investigate the novel 1,5-dihydroxy-2,6-diphenylanthraquinone (DP-DHAQ) molecule, exploring its photo-induced behaviours in relation to solvent effects. Through analysing the structural alterations of DP-DHAQ featuring intramolecular double hydrogen bonds in cyclohexane, dichloromethane and acetonitrile solvents, variations in infra-red (IR) vibrations, simulated core-valence bifurcation (CVB) indexes, and frontier molecular orbitals (MOs), we find that high solvent polarity might favour the enhancement of hydrogen bonding effects in the S1 state. By analysing the potential energy surfaces (PESs) constructed for the DP-DHAQ compound, we uncover the excited-state intramolecular proton-transfer (ESIPT) behaviour exhibited by DP-DHAQ compounds even though dual hydrogen bonds exist. Our results indicate that increasing solvent polarity could promote the potential stepwise excited-state double proton-transfer (ESDPT) process for DP-DHAQ fluorophore. In brief, the findings reveal the solvent-polarity-regulated ESIPT mechanism for DP-DHAQ fluorophore but also might facilitate designing novel NIR luminescent devices.
Interactive exploration and visual analytics for large spatiotemporal data using approximate query processing
Creators: name: Wang, Guizhen
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Digital processor architectures
Other information and computing sciences not elsewhere classified

description: Approximate query processing (AQP) provides fewer representative samples to approximate large amounts of data. Processing these smaller data subsets enables visualization systems to provide end-users with real-time responses. However, challenges arise for real-world users in adopting AQP-based visualization systems, e.g., the absence of AQP modules in mainstream commercial databases, erroneous estimations caused by sampling bias, and end-user uncertainty when interpreting approximate query results. In this dissertation, we present an AQP-centered technique for enabling interactive visual analytics for large amounts of spatiotemporal data under the aforementioned challenges. First, we design, implement and evaluate a client-based visual analytics framework that progressively acquires spatiotemporal data from an AQP-absence server-side to client-based visualization systems so that interactive data exploration can be maintained on a client machine with modest computational power. Second, we design, implement, and evaluate an online sampling approach that selects samples of large spatiotemporal data in an unbiased manner and accordingly improves the accuracy of the associated estimates. Last, we design, implement and evaluate a difference assessment approach that compares approximate and exact spatial heatmap visualizations in terms of human perception. As such, information changes perceptible by users are well represented, and users can evaluate the reliability of approximate answers more easily. Our results show the superior performance of our proposed AQP-centered technique in terms of speed, accuracy, and user trust, as compared to a baseline of state-of-the-art solutions.
A theoretical exploration of the influence of oxygen element on photo-induced behaviours for flavonoid derivatives with Me2N substitution
Creators: name: Xiao, Junping
name: Peng, Zishan
name: Liu, Ang
name: Chen, Xinrui
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Neuroscience
subject: Biotechnology
subject: Evolutionary Biology
subject: FOS: Biological sciences
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Science Policy

description: The exceptional properties of flavonoid derivatives are a great inspiration for our research. In the fields of medicine and chemistry, flavonoids present the superior ability to enhance non-specific immune function and humoral immune response. Herein, our primary focus lies in the theoretical exploration of the photo-induced characteristics exhibited by the novel Me2N-substituted flavonoid (MEF) fluorophore. Considering the potential photo-induced properties associated with chalcogen atomic electronegativity in photoexcitation, using density functional theory (DFT) and time-dependent DFT (TDDFT) methods, we primarily pay attention to probing into photo-induced hydrogen bonding effects and concomitant charge reorganisation processes. Given changes in chemical geometries and the infrared (IR) vibrational shifts of three MEF derivatives (MEF-O, MEF-S and MEF-Se), we confirm that intramolecular hydrogen bonding should be strengthened by facilitating excited state intramolecular proton transfer (ESIPT) reactions. Particularly, the redistribution of charge further shows the ESIPT behaviour. By constructing potential energy curves (PECs) and identifying transitional reaction state (TS) structures, we ultimately validate the electronegativity-dependent ESIPT mechanisms of chalcogen elements in MEF derivatives. We sincerely hope that our work can accelerate future development and applications of flavonoid derivatives.
MECHANICS AND DESIGN OF POLYMERIC METAMATERIAL STRUCTURES FOR SHOCK ABSORPTION APPLICATIONS
Creators: name: Joodaky, Amin
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Mechanical engineering not elsewhere classified

description: This body of work examines analytical and numerical models to simulate the response of structures in shock absorption applications. Specifically, the work examines the prediction of cushion curves of polymer foams, and a topological examination of a $\chi$ shape unit cell found in architected mechanical elastomeric metamaterials. The $\chi$ unit cell exhibits the same effective stress-strain relationship as a closed cell polymer foam. Polymer foams are commonly used in the protective packaging of fragile products. Cushion curves are used within the packaging industry to characterize a foam's impact performance. These curves are two-dimensional representations of the deceleration of an impacting mass versus static stress. The main drawback with cushion curves is that they are currently generated from an exhaustive set of experimental test data. This work examines modeling the shock response using a continuous rod approximation with a given impact velocity in order to generate cushion curves without the need of extensive testing. In examining the $\chi$ unit cell, this work focuses on the effects of topological changes on constitutive behavior and shock absorbing performance. Particular emphasis is placed on developing models to predict the onset of regions of quasi-zero-modulus (QZM), the length of the QZM region and the cushion curve produced by impacting the unit cell. The unit cell's topology is reduced to examining a characteristic angle, defining the internal geometry with the cell, and examining the effects of changing this angle.However, the characteristic angle cannot be increased without tradeoffs; the cell's effective constitutive behavior evolves from long regions to shortened regions of quasi-zero modulus. Finally, this work shows that the basic $\chi$ unit cell can be tessellated to produce a nearly equivalent force deflection relationship in two directions. The analysis and results in this work can be viewed as new framework in analyzing programmable elastomeric metamaterials that exhibit this type of nonlinear behavior for shock absorption.
Beps Ai Tempi Della Nuvola - Da Apple A Google Quando L'Elusione Fiscale Diventa "Smart"
Creators: name: Repetto Marco
Publisher: name: Zenodo
Year: 2016
Subjects: taxation
transfer pricing
BEPS

description: È di questi giorni la notizia della maxi multa notificata dalla comunità europea ad Apple, di 13 miliardi di euro, per aver beneficiato di un trattamento fiscale particolarmente agevolato il quale le ha permesso negli anni, di portare la tassazione media percentuale dell’intero gruppo sotto la soglia dell’1%. Nell’ultimo decennio sono state veramente molte le grandi multinazionali, che hanno beneficiato di tassazioni irrisorie, addirittura inferiori alla cifra percentuale. Tutto ciò è da attribuire a due fenomeni che hanno contribuito ad aumentare il problema di Base Erosion and Profit Shifting: uno è l’utilizzo elusivo del transfer pricing, l’altro è da attribuire all’innovazione tecnologica e al modo in cui il valore aggiunto viene creato oggigiorno. Il caso Apple è solo la punta dell’iceberg di un problema molto più grande e che rischia di ingigantirsi col tempo. Infatti, sempre più aziende, hanno dato via ad una sorta di “turismo fiscale” un fenomeno che prevede la ricerca e successivamente l’assegnazione a determinate branch,, più precisamente quelle col maggior rischio d’impresa, a Paesi con tassazioni basse (low-tax jurisdiction). Questa Tesi cercherà di analizzare il fenomeno; dapprima da un punto di vista giuridico analizzando quindi la normativa sul transfer pricing, sia utilizzando la normativa internazionale (OECD), sia quella italiana. Successivamente si discuterà del peso che il cloud computing sta avendo e che avrà nel futuro per quanto riguarda la pianificazione fiscale di tipo aggressivo. Infine si analizzeranno due casi di aziende diverse tra loro ma accomunate dalle stesse logiche di pianificazione fiscale: Apple e Google.
Molecular mechanism of nitrocefin hydrolysis by the L1 metallo-β-lactamase: a benchmark study
Creators: name: Krivitskaya, Alexandra V.
name: Polyakov, Igor V.
name: Khrenova, Maria G.
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Medicine
subject: Molecular Biology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences

description: Nitrocefin hydrolysis by metallo-β-lactamase is an important model chemical reaction mimicking cephalosporin antibiotic inactivation. Due to the specific chromogenic properties of the nitrocefin, transient kinetic data for this reaction is available. Despite its importance in the understanding of the reaction mechanism, these data can be utilised to verify benchmark calculations. This reaction is complicated from the computational viewpoint as the active site carries two double charged cations and therefore is highly polarised; nucleophilic attack and formation of the electrophilic site should be properly described. We calculate Gibbs-free energy profiles of three chemical steps comprising the entire reaction at the QM(DFT)/MM molecular dynamics level. We compare results obtained with three hybrid functionals differing in the contribution of the exact Hartree–Fock exchange, B3LYP-D3, PBE0-D3 and BHHLYP-D3. Among them, only calculations performed at the QM(PBE0-D3)/MM level were able to properly describe the intermediate accumulation and the limiting step. Laplacian of electron density maps clarify the influence of the computational protocol on the electrophilic site formation and covalent bond polarisation.
sj-pdf-1-prq-10.1177_10659129211040524 – Supplemental Material for Warrior candidates: Do voters value combat experience in postwar elections?
Creators: name: Glaurdić, Josip
name: Lesschaeve, Christophe
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 160607 International Relations
subject: FOS: Political science

description: Supplemental Material, sj-pdf-1-prq-10.1177_10659129211040524 for Warrior candidates: Do voters value combat experience in postwar elections? by Josip Glaurdić and Christophe Lesschaeve in Political Research Quarterly
NOVEL MODEL-BASED AND DEEP LEARNING APPROACHES TO SEGMENTATION AND OBJECT DETECTION IN 3D MICROSCOPY IMAGES
Creators: name: Aguilar Herrera, Camilo G
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Image processing
Artificial intelligence not elsewhere classified

description: Modeling microscopy images and extracting information from them are important problems in the fields of physics and material science.
Model-based methods, such as marked point processes (MPPs), and machine learning approaches, such as convolutional neural networks (CNNs), are powerful tools to perform these tasks. Nevertheless, MPPs present limitations when modeling objects with irregular boundaries. Similarly, machine learning techniques show drawbacks when differentiating clustered objects in volumetric datasets. In this thesis we explore the extension of the MPP framework to detect irregularly shaped objects. In addition, we develop a CNN approach to perform efficient 3D object detection. Finally, we propose a CNN approach together with geometric regularization to provide robustness in object detection across different datasets.
The first part of this thesis explores the addition of boundary energy to the MPP by using active contours energy and level sets energy. Our results show this extension allows the MPP framework to detect material porosity in CT microscopy images and to detect red blood cells in DIC microscopy images.
The second part of this thesis proposes a convolutional neural network approach to perform 3D object detection by regressing objects voxels into clusters. Comparisons with leading methods demonstrate a significant speed-up in 3D fiber and porosity detection in composite polymers while preserving detection accuracy.
The third part of this thesis explores an improvement in the 3D object detection approach by regressing pixels into their instance centers and using geometric regularization. This improvement demonstrates robustness when comparing 3D fiber detection in several large volumetric datasets.
These methods can contribute to fast and correct structural characterization of large volumetric datasets, which could potentially lead to the development of novel materials.
Supplemental Material, sj-pdf-1-vet-10.1177_03009858211043084 - Cellular tropism of SARS-CoV-2 in the respiratory tract of Syrian hamsters and B6.Cg-Tg(K18-ACE2)2Prlmn/J transgenic mice
Creators: name: Yen, Hui-Ling
name: Valkenburg, Sophie
name: Sia, Sin Fun
name: Choy, Ka Tim
name: Peiris, J. S. Malik
name: Wong, Karen H. M.
name: Crossland, Nicholas
name: Douam, Florian
name: Nicholls, John M.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111599 Pharmacology and Pharmaceutical Sciences not elsewhere classified
subject: FOS: Clinical medicine
subject: 70706 Veterinary Medicine
subject: FOS: Veterinary sciences

description: Supplemental Material, sj-pdf-1-vet-10.1177_03009858211043084 for Cellular tropism of SARS-CoV-2 in the respiratory tract of Syrian hamsters and B6.Cg-Tg(K18-ACE2)2Prlmn/J transgenic mice by Hui-Ling Yen, Sophie Valkenburg, Sin Fun Sia, Ka Tim Choy, J. S. Malik Peiris, Karen H. M. Wong, Nicholas Crossland, Florian Douam and John M. Nicholls in Veterinary Pathology
Additional file 1 of Assessment of the correlation between supracrestal gingival tissue dimensions and other periodontal phenotypes components via the digital registration method: a cross‑sectional study in a Chinese population
Creators: name: Lin, Kaijin
name: Wang, Siyi
name: Xu, Xiaofeng
name: Yu, Lu
name: Pan, Rui
name: Zheng, Minqian
name: Yang, Jin
name: Guo, Jianbin
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Cell Biology
subject: Biological Sciences not elsewhere classified
subject: Cancer
subject: Science Policy
subject: Hematology
subject: Plant Biology
subject: FOS: Biological sciences

description: Supplementary Material 1
DFT simulation of conductivity of the p-type doped and charge-injected cis-polyacetylene
Creators: name: Keya, Kamrun N.
name: Xia, Wenjie
name: Kilin, Dmitri
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Genetics
subject: FOS: Biological sciences
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Information Systems not elsewhere classified
subject: Developmental Biology
subject: Cancer
subject: Hematology

description: Semiconducting conjugated polymers (CPs) have shown great potential in organic solar cells and organic field-effect transistors (OFETs), due to their tunable electronic and optical properties. In this study, we compare computational predictions of electronic and optical properties of ensembles of cis-polyacetylene (cis-PA) multiple oligomers in two different forms (a) undoped cis-PA and (b) cis-PA doped by phosphorous fluoride (PF6−) via density functional theory (DFT) with hybrid functionals. The comparison of undoped cis-PA under the constraint of injected charge carrier and cis-PA doped by PF6− shows that either doping or injection provides very similar features in electronic structure and optical properties. Doped and injected are similar to each other and different from the pristine, undoped PA. Computed results also indicate that the injection of charge carriers and adding p-type doping into the semiconducting CP model both greatly affect the conductivity. These observations provide a better understanding and practical use of the properties of polyacetylene films for flexible electronic applications.
Au doped MXene for sulphurous gases sensing: a DFT study
Creators: name: Xiao, Yanfeng
name: Qiu, Hao
name: Zhang, Chunhui
name: Wang, Jun
name: Guo, Yujing
name: Yi, Teng
name: Wu, Yongheng
name: Zeng, Fuping
Publisher: name: Taylor & Francis
Year: 2025
Subjects: Biophysics
Space Science
Physical Sciences not elsewhere classified
Medicine
Biotechnology
Chemical Sciences not elsewhere classified
Science Policy

description: Sulfur-containing gas reflects the internal operation of SF6 gas-insulated switchgear and is of great importance for the insulation fault diagnosis of equipment. Based on density functional theory (DFT), several sulfur-containing gases are selected as the target detection gases, and Au-doped Ti3C2Tx MXene is used as the sensing material to carry out adsorption simulation in this paper. These results suggest that the O and OH terminated Au@Ti3C2Tx have larger adsorption energies as well as charge transfer for SO2 and SOF2, and furthermore, combined with density of states analysis and molecular frontier orbital analysis, it’s found that gas adsorption can lead to changes in the density of states near the 0 eV and changes in the frontier orbital band gap, which can be used as SO2 and SOF2 gas sensor. These provide initial insights into the application of Au@Ti3C2Tx in the monitoring of electrical equipment, evaluating the working condition of the SF6 gas-insulated electrical equipment by detecting SO2 and SOF2. The SF6 fault decomposition characteristic products H2S, SO2, SOF2 and SO2F2 molecules are adsorbing on Au/Ti3C2Tx MXene.
Supplemental Material, sj-pdf-2-tct-10.1177_15330338211036324 - Formulation Comprising Arsenic Trioxide and Dimercaprol Enhances Radiosensitivity of Pancreatic Cancer Xenografts
Creators: name: Tang, Renyan
name: Zhu, Jianmin
name: Liu, Ying
name: Wu, Ning
name: Han, Jinbin
Publisher: name: SAGE Journals
Year: 2021
Subjects: Oncology and Carcinogenesis not elsewhere classified
Radiology and Organ Imaging
Biochemistry

description: Supplemental Material, sj-pdf-2-tct-10.1177_15330338211036324 for Formulation Comprising Arsenic Trioxide and Dimercaprol Enhances Radiosensitivity of Pancreatic Cancer Xenografts by Renyan Tang, Jianmin Zhu, Ying Liu, Ning Wu and Jinbin Han in Technology in Cancer Research & Treatment
Xe–CO and Kr–CO complexes: potential energy surface and bound state calculations
Creators: name: Luo, Wei
name: Li, Xiang
name: Hu, Zeqin
name: Zheng, Rui
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Cell Biology
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Plant Biology
subject: FOS: Biological sciences

description: The intermolecular potential energy surfaces (PESs) for Xe–CO and Kr–CO complexes were constructed using the CCSD(T)-F12a method with the aug-cc-pVQZ/aug-cc-pVQZ-PP basis sets augmented with mid-bond functions. The PES is characterised by one minima and two saddle points for each complex. Based on the PESs and 3H-solution model (J. Quant. Spectrosc. Radiat. Transfer 309, 108711 (2023)), the infrared spectra were predicted for Xe–CO and Kr–CO complexes. The spectroscopic parameters of experimental observations for Xe–CO and Kr–CO with K = 0 and 1 are quite well reproduced, and the asymmetric top rotational constants were predicted for vCO = 0, 1, and 2 vibrational states for Xe–CO and vCO = 0 and 1 states for Kr–CO. The vibrational shifts of fundamental band were calculated to be −0.867 cm−1 for Xe–CO and −0.639 cm−1 for Kr–CO complex, which reproduce experimental results with an error of 0.002 cm−1 and 0.01 cm−1, respectively. In addition, the spectroscopic parameters and the vibrational shift for the first overtone band of Xe–CO were also predicted, and the results will be helpful to guide further investigations in the infrared spectral region experimentally.
sj-pdf-1-asm-10.1177_10731911211038630 – Supplemental material for A Systematic Review of Parenting Scales Measurement Invariance/Equivalence of by Race and Ethnicity: Recommendations for Inclusive Parenting Research
Creators: name: Rodriguez, Violeta J.
name: La Barrie, Dominique L.
name: Zegarac, Miriam C.
name: Shaffer, Anne
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 160807 Sociological Methodology and Research Methods
subject: FOS: Sociology
subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology

description: Supplemental material, sj-pdf-1-asm-10.1177_10731911211038630 for A Systematic Review of Parenting Scales Measurement Invariance/Equivalence of by Race and Ethnicity: Recommendations for Inclusive Parenting Research by Violeta J. Rodriguez, Dominique L. La Barrie, Miriam C. Zegarac and Anne Shaffer in Assessment
Ecology and Management of Stemphylium Leaf Spot of Spinach
Creators: name: Spawton, Kayla Anne
Publisher: name: Washington State University
Year: 2023

description: Stemphylium leaf spot of spinach has re-emerged as a disease of economic concern for fresh market, processing, and seed production. The two main causal agents, Stemphylium beticola and S. vesicarium, are seedborne and seed transmitted. The overall objective of this study was to elucidate the biology and epidemiology of these pathogens, and to refine management options for the disease by: i) identifying Stemphylium species and development of their teleomorphs associated with Stemphylium leaf spot in spinach seed crops, and species colonizing seed grown in key countries of seed production; ii) screening spinach cultivars for resistance to S. vesicarium; iii) determining the prevalence of resistance to the fungicides azoxystrobin and pyraclostrobin that have been used widely to control this disease; iv) evaluating genetic differences of pathogenic vs. non-pathogenic seedborne isolates of S. vesicarium; and v) sequencing the genome of S. beticola isolates to complement genomes available for S. vesicarium. Isolates of S. beticola, S. vesicarium, and S. drummondii were pathogenic to spinach, but eight other Stemphylium species associated with spinach were not. Cultivars with resistance to S. vesicarium were identified for fresh market and processing spinach production. In vitro and in vivo assays confirmed resistance to azoxystrobin and pyraclostrobin for all spinach leaf and seed isolates of S. vesicarium tested, but not isolates of S. beticola. Resistant isolates all had the G143A mutation in the cytochrome b gene that confers this resistance. The proportion of seedborne S. vesicarium isolates pathogenic to spinach varied among seed lots, and was negatively correlated with genetic diversity of the isolates. Seed populations of S. vesicarium were structured genetically based on pathogenicity to spinach, not by seed lot or country of seed production. Genotypes of pathogenic S. vesicarium isolates from leaf spots were detected on seed lots used to plant the crops, and seed populations were more diverse genetically than foliar populations. The sequenced genomes of two S. beticola isolates from spinach will facilitate genetic comparison of species that cause Stemphylium leaf spot, and development of molecular detection tools. This research provides new insights into Stemphylium leaf spot of spinach with implications for enhanced management of this disease.
A natural-language-based approach to intelligent data retrieval and representation for cloud BIM
Creators: name: Lin, Jia-Rui
name: Hu, Zhen-Zhong
name: Zhang, Jian-Ping
name: Yu, Fang-Qiang
Publisher: name: arXiv
Year: 2024
Subjects: subject: Human-Computer Interaction (cs.HC)
subject: FOS: Computer and information sciences

description: As the information from diverse disciplines continues to integrate during the whole life cycle of an Architecture, Engineering, and Construction (AEC) project, the BIM (Building Information Model/Modeling) becomes increasingly large. This condition will cause users difficulty in acquiring the information they truly desire on a mobile device with limited space for interaction. To improve the value of the big data of BIM, an approach to intelligent data retrieval and representation for cloud BIM applications based on natural language processing was proposed. First, strategies for data storage and query acceleration based on the popular cloud-based database were explored to handle the large amount of BIM data. Then, the concepts keyword and constraint were proposed to capture the key objects and their specifications in a natural-language-based sentence that expresses the requirements of the user. Keywords and constraints can be mapped to IFC entities or properties through the International Framework for Dictionaries (IFD). The relationship between the user's requirement and the IFC-based data model was established by path finding in a graph generated from the IFC schema, enabling data retrieval and analysis. Finally, the analyzed and summarized results of BIM data were represented based on the structure of the retrieved data. A prototype application was developed to validate the proposed approach on the data collected during the construction of the terminal of Kunming Airport, the largest single building in China. With this approach, users can significantly benefit from requesting for information and the value of BIM will be enhanced.
Assessment of heat shock protein 90 and epidermal growth factor receptor inhibitory potential of natural compounds from Calophyllum membranaceum and Leonurus sibiricus via molecular dynamics simulations and binding free energy calculations
Creators: name: Erdogan, Taner
name: Erdogan, Fatma Oguz
Publisher: name: Taylor & Francis
Year: 2025
Subjects: Biophysics
Biochemistry
Cell Biology
Pharmacology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer
Hematology

description: This study involves a comprehensive computational analysis to assess the potential of 20 recently identified phytochemicals derived from Calophyllum membranaceum and Leonurus sibiricus as HSP90 and EGFR TK inhibitors. The study is comprised of four distinct parts: (1) DFT calculations including geometry optimisations and molecular electrostatic potential map calculations, (2) molecular docking studies, (3) molecular dynamics simulations and binding free energy (MM-PBSA) calculations and (4) drug-likeness and ADME analyses. The results obtained were compared with those obtained for the reference drugs BIIB021 and Gefitinib. The study observed that the HSP90 binding energies of the studied natural compounds could reach up to −47.0 kcal/mol and the EGFR TK binding energies up to −34.5 kcal/mol. For the reference molecules BIIB021 and Gefitinib, these values were −28.6 and −29.0 kcal/mol, respectively. The findings indicate that the majority of the natural compounds under investigation exhibited higher HSP90 inhibition potential compared to the reference molecule. Additionally, one of the compounds demonstrated higher inhibition potential than the reference molecule Gefitinib, while two compounds exhibited EGFR TK inhibition potential comparable to that of the reference molecule.
AN AGENT-BASED FRAMEWORK FOR INFRASTRUCTURE MAINTENANCE DECISION MAKING
Creators: name: Bonsafo-Bawuah, Jephunneh
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Civil engineering not elsewhere classified

description: A transportation system plays a significant role in the economic development of a region by facilitating the movement of goods and services. No matter how well the infrastructure is designed or constructed, it is beneficial to know maintenance needs in the life cycle of the infrastructure so that the service life of the pavement is prolonged by minimizing its life-cycle cost requirements. The pavement life-cycle performance helps maintenance investment decision-makers to efficiently utilize the available infrastructure funds. This research focuses on developinga framework for identifying a more effective and efficient way of decision making on the management and maintenance of infrastructure. The developed framework uses an agent-based modeling approach to capture the interaction that exists between different components of the transportation system and their characteristics such as traffic volume and pavement condition, user cost, agency cost, etc. The developed agent-based is useful to investigate the effects of time-varying vehicular density on pavement deterioration and the road users’ driving behavior. The developed framework was demonstrated as a two-lane highway as a case study. Using the developed agent-based simulation framework, it was possible to identify when the roadinfrastructure maintenance should be done to increase the desired PCR value. Also, it was possible to show a decrease in PCR can affect the cost of road users. The framework can track the time to determine when maintenance should be done based on the PCR values that determine whether thepavement is in good, moderate, or bad condition. Regardless of the degree of road users’ patience to stay in their travel lanes (patience), the vehicle distribution on the road is balanced in the long run because road users tend to change their travel lanes to minimize their overall travel times. When the patient level is low, road users tend to change lanes more, causing a high number of vehicles on the left lane as it is considered the lane changing lane in two-lane highways. It was also observed that as the patience of the road users increases, the number of vehicles that use the right lane is almost the same as the number of vehicles that use the left lane.
GGAvatar: Reconstructing Garment-Separated 3D Gaussian Splatting Avatars from Monocular Video
Creators: name: Chen, Jingxuan
Publisher: name: arXiv
Year: 2024
Subjects: subject: Computer Vision and Pattern Recognition (cs.CV)
subject: Artificial Intelligence (cs.AI)
subject: Multimedia (cs.MM)
subject: FOS: Computer and information sciences

description: Avatar modelling has broad applications in human animation and virtual try-ons. Recent advancements in this field have focused on high-quality and comprehensive human reconstruction but often overlook the separation of clothing from the body. To bridge this gap, this paper introduces GGAvatar (Garment-separated 3D Gaussian Splatting Avatar), which relies on monocular videos. Through advanced parameterized templates and unique phased training, this model effectively achieves decoupled, editable, and realistic reconstruction of clothed humans. Comparative evaluations with other costly models confirm GGAvatar's superior quality and efficiency in modelling both clothed humans and separable garments. The paper also showcases applications in clothing editing, as illustrated in Figure 1, highlighting the model's benefits and the advantages of effective disentanglement. The code is available at https://github.com/J-X-Chen/GGAvatar/.
description: MMAsia'24 Accepted
sj-docx-2-anp-10.1177_00048674211043788 – Supplemental material for Characterising DSCATT: A case series of Australian patients with debilitating symptom complexes attributed to ticks
Creators: name: Schnall, Jesse
name: Oliver, Georgina
name: Braat, Sabine
name: Macdonell, Richard
name: Gibney, Katherine B
name: Kanaan, Richard A
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology
subject: 110319 Psychiatry (incl. Psychotherapy)
subject: FOS: Clinical medicine
subject: Neuroscience

description: Supplemental material, sj-docx-2-anp-10.1177_00048674211043788 for Characterising DSCATT: A case series of Australian patients with debilitating symptom complexes attributed to ticks by Jesse Schnall, Georgina Oliver, Sabine Braat, Richard Macdonell, Katherine B Gibney and Richard A Kanaan in Australian & New Zealand Journal of Psychiatry
Additional file 1 of Cu-doped TiO2 nanoparticles improve local antitumor immune activation and optimize dendritic cell vaccine strategies
Creators: name: Hesemans, Evelien
name: Saffarzadeh, Neshat
name: Maksoudian, Christy
name: Izci, Mukaddes
name: Chu, Tianjiao
name: Rios Luci, Carla
name: Wang, Yuqing
name: Naatz, Hendrik
name: Thieme, Sebastian
name: Richter, Cornelia
name: Manshian, Bella B.
name: Pokhrel, Suman
name: Mädler, Lutz
name: Soenen, Stefaan J.
Publisher: name: figshare
Year: 2024
Subjects: subject: Immunology
subject: FOS: Clinical medicine

description: Additional file 1: Figure S1. Histograms displaying the relative effect of the different nanoformulations on cell viability (left column), cell area (2nd column), cell aspect ratio (3rd column) and mitochondrial health (right column) for A549 cells (top row), KLN-205 cells (middle row) and Beas-2B cells (bottom row). All data are presented as mean + SEM and are expressed relative to untreated control cells (= 100%). The degree of significance is indicated where appropriate. In case only one condition is indicated, then the level of significance is maintained for any subsequent time point unless otherwise indicated. (NS: not significant; p < 0.05: *, p < 0.01: **; p < 0.001: ***) based on ANOVA testing using GraphPad Prism 9 (n = 4). Figure S2. Histograms displaying the relative ROS (top row) and relative viability (bottom row) of KLN-205 (left column) and A549 (right column) exposed to pure CuO or 33% Cu-doped TiO2 in the presence or absence of the ROS-scavenger NAC. All data are presented as mean + SEM and are expressed relative to untreated control cells (= 100%). The degree of significance is indicated where appropriate; (p < 0.05: *, p < 0.01: **; p < 0.001: ***; p < 0.0001) based on ANOVA testing using GraphPad Prism 9 (n = 4).
The effect of hydrogen bonding on two-photon absorption in pyrimidine in water clusters
Creators: name: Fu, Mingxue
name: Wesolowski, Tomasz A.
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Molecular Biology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Plant Biology
subject: FOS: Biological sciences
subject: Computational Biology

description: The approximation used for the non-additive kinetic energy bi-functional in methods based on Frozen-Density Embedding Theory (FDET) and the procedure to generate the frozen density are validated in case of modelling the environment-induced shifts of two-photon absorption (TPA) cross-sections. The validation is made for clusters comprising pyrimidine and up to four water molecules. Subsequently, the same approximations are used for a cluster comprising 23 water molecules. One of the two most intense TPA transitions has the n−σ∗ character and is strongly affected by the interactions with the water molecules. In the pyrimidine-4⋅H2O cluster, the TPA cross-section decreases almost three times (from 139.1 to 41.7 atomic units). The drop is slightly smaller (from 139.1 to 58.5 atomic units). In the same cluster, the cross-section for the other transition drops significantly less (from 167.8 to 133.7 atomic units). This indicates that the interactions with the nearest neighbours might be (a) the main factor leading to the significant drop of the TPA cross-section observed in polar solvents for other chromophores and (b) contribute to large variations of the enhancement factor in the case of entangled TPA measured in different solvents.
sj-docx-4-anp-10.1177_00048674211043788 – Supplemental material for Characterising DSCATT: A case series of Australian patients with debilitating symptom complexes attributed to ticks
Creators: name: Schnall, Jesse
name: Oliver, Georgina
name: Braat, Sabine
name: Macdonell, Richard
name: Gibney, Katherine B
name: Kanaan, Richard A
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology
subject: 110319 Psychiatry (incl. Psychotherapy)
subject: FOS: Clinical medicine
subject: Neuroscience

description: Supplemental material, sj-docx-4-anp-10.1177_00048674211043788 for Characterising DSCATT: A case series of Australian patients with debilitating symptom complexes attributed to ticks by Jesse Schnall, Georgina Oliver, Sabine Braat, Richard Macdonell, Katherine B Gibney and Richard A Kanaan in Australian & New Zealand Journal of Psychiatry