cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
title: Modelling and simulation of disc brake contact analysis and squeal
Creators: name: Rahim Abu. Bakar, Abd
Publisher: name: University of Liverpool Repository
Year: 2023

description: This thesis proposes a new methodology of predicting squeal using the finite element method in which three validation stages are established. A detailed 3-dimensional finite element model of a real disc brake is not only validated through modal analysis at the components and assembly levels but also through contact analysis where static contact pressure distribution and its contact area match with the experimental results. The main key issue in this research is the refinement of contact interface model of the friction material. Having assumed a smooth and flat surface (or perfect contact interface) in the past, current research considers a real surface topography of which measurementsa re carried out in order to obtain a realistic contact interface model. It is found that with the refined disc brake model, a good correlation is achieved between the predicted results and experimental ones on the contact pressure distribution and contact area at the piston and finger pads. Complex eigenvalue analysis that is available in ABAQUS software package is used as the main tool to predict squeal generation. Prediction of squeal occurrence is limited to a frequency range of I kHz to 8 kHz. Simulations of disc brake squeal are performed at different friction characteristics with the inclusion of friction damping for the perfect contact interface and real contact interface models. It is shown that the real contact interface model predicts squeal occurrences much better than the perfect contact interface model by considering the effect of negative u-v slope and friction damping. Comparison between complex eigenvalue analysis and dynamic transient analysis using a reduced FE model is also made for different contact schemes. It is found that using small sliding with Lagrange multiplier contact scheme predicted results in both analyses in a good agreement. Wear effects on instability of the disc brake assembly are also simulated. The results show that with the inclusion of wear, unstable frequencies are predicted to appear and disappear as wear progresses even though similar boundary conditions and operating conditions are imposed to apparently the same disc brake model. This phenomenon may explain the fugitive nature of squeal behaviour.
title: Trajectory analysis of moving vehicles in real time
title: Ανάλυση τροχιάς κινούμενων οχημάτων σε πραγματικό χρόνο
titleType: AlternativeTitle
Creators: name: Γιαννόπουλος, Κωνσταντίνος
name: Giannopoulos, Konstantinos
Publisher: name: Πανεπιστήμιο Πειραιώς
Year: 2022
Subjects: subject: Spatiotemporal data
subject: Big data
subject: Real-time data analytics
subject: Stream processing frameworks

description: Η συνεχώς αυξανόμενη παραγωγή χωροχρονικών δεδομένων, η ταχύτητα της παραγωγής τους καθώς και η ανάπτυξη των συστημάτων ανάλυσης ροών δεδομένων, έχουν οδηγήσει στη δημιουργία νέων προκλήσεων στον τομέα της ανάλυσης δεδομένων. Η ανάλυση δεδομένων τροχιάς είναι νευραλγικής σημασίας για εταιρείες και οργανισμούς που διαθέτουν στόλο οχημάτων, τον οποίο οφείλουν να διαχειρίζονται αποτελεσματικά. H σωστή διαχείριση του στόλου στηρίζεται στη γρήγορη λήψη αποφάσεων. Είναι επομένως σημαντικό, η ανάλυση δεδομένων που εκπέμπονται από συσκευές εγκατεστημένες στα οχήματα, να γίνεται αποτελεσματικά και σε πραγματικό χρόνο. Στη συγκεκριμένη διπλωματική εργασία, προτείνουμε ένα σύστημα το οποίο επεξεργάζεται τα δεδομένα που εκπέμπονται από τα οχήματα, σε πραγματικό χρόνο και δημιουργεί μία συνοπτική και επεξηγηματική αναφορά για τα ταξίδια που πραγματοποίησε το κάθε όχημα. Μία από τις σημαντικότερες δυσκολίες που αντιμετωπίζουν τα συστήματα ανάλυσης ροών δεδομένων σε πραγματικό χρόνο είναι η σωστή διαχείριση εκείνων των δεδομένων που καταφθάνουν αργοπορημένα στο σύστημα. Η υλοποίηση μας αντιμετωπίζει αυτό το πρόβλημα, καθώς εντοπίζει και επεξεργάζεται αποτελεσματικά τα δεδομένα που φτάνουν στο σύστημα σε λανθασμένη χρονολογική σειρά. Για την υλοποίηση του παραπάνω συστήματος στόχος ήταν η χρησιμοποίηση κλιμακώσιμων τεχνολογιών. Για την αποθήκευση των δεδομένων που εκπέμπονται από τις εγκατεστημένες στα οχήματα συσκευές, χρησιμοποιήθηκε το Apache Kafka. Την επεξεργασία των αποθηκευμένων δεδομένων την αναλαμβάνει το Apache Flink, το οποίο είναι ικανό να επεξεργάζεται συνεχείς αλλά και οριοθετημένες ροές δεδομένων, κατανεμημένα, σε υψηλό ρυθμό, με ελάχιστη καθυστέρηση και με ανοχή στα σφάλματα. Στη συνέχεια, τα επεξεργασμένα δεδομένα, αποθηκεύονται με τη βοήθεια του Elasticsearch, το οποίο επιτρέπει τη γρήγορη αναζήτηση των στατιστικών που επιθυμεί ο χρήστης. Τέλος, το Kibana αναλαμβάνει την οπτικοποίηση των αποθηκευμένων δεδομένων. Η δομή της παρούσας διπλωματικής εργασίας είναι η ακόλουθη: Αρχικά, παρουσιάζεται το θεωρητικό υπόβαθρο που αφορά την επεξεργασία μεγάλων δεδομένων, τόσο οριοθετημένων όσο και συνεχών ροών. Στη συνέχεια, γίνεται παρουσίαση και σύγκριση των διαφόρων συστημάτων επεξεργασίας ροών δεδομένων. Τέλος, εξηγείται εκτενώς η προτεινόμενη αρχιτεκτονική, παρουσιάζονται οι επιδόσεις του συστήματος, καθώς και ο τρόπος επεξεργασίας τόσο των δεδομένων που φτάνουν στη σωστή χρονολογική σειρά, όσο και των δεδομένων που φτάνουν στο σύστημα αργοπορημένα.
Brand safety και η επίδραση στην ψυχολογία των ανθρώπων
Creators: name: Γράβος, Δημήτριος
Publisher: name: Πανεπιστήμιο Πειραιώς
Year: 2022
Subjects: subject: Brand safety
subject: Consumer behavior
subject: Psychology
subject: FOS: Psychology
subject: Ασφάλεια επωνυμίας
subject: Ποσοτική έρευνα
subject: Μέσα κοινωνικής δικτύωσης
subject: Εταιρική κοινωνική ευθύνη
subject: Sustainable development

description: Η παρούσα μελέτη εξετάζει το φαινόμενο της ασφαλείας της επωνυμίας (brand safety) μέσω μίας δευτερογενούς εξέτασης της βιβλιογραφίας στο θέμα της εταιρικής κοινωνικής ευθύνης και της ασφάλειας της επωνυμίας με απώτερο σκοπό τη δημιουργία ενός εφαλτηρίου για την ανάλυση της. Η ασφάλεια της επωνυμίας έχει σχεδιαστεί για να προστατεύουν τη φήμη μιας επωνυμίας στο διαδίκτυο, περιορίζοντάς την από τη σύνδεση με αρνητικό και ακατάλληλο περιεχόμενο. Στην προκειμένη μελέτη επιλέχθηκε να πραγματοποιηθεί ποσοτική μέθοδος με την χρήση ενός ερωτηματολογίου που σχεδιάστηκε, και μοιράστηκε σε πληθυσμό ηλικίας άνω των 18 ώστε να αναλυθούν τα ερευνητικά ερωτήματα. Τέλος προέκυψε πως ασχολούνται συχνά οι άνθρωποι με τα Μέσα Κοινωνικής Δικτύωσης, αλλά δεν φάνηκε να επηρεάζονται πολύ από αυτά. Δεν νιώθουν άσχημα για τον εαυτό τους, αλλά νιώθουν καλά όταν παίρνουν πολλά “like”.Επιπρόσθετα φανερώνει την επίδραση που έχει στην λήψη των αποφάσεων των καταναλωτών και τις προτιμήσεις τους στα μέσα κοινωνικής δικτύωσης. Η ασφάλεια της επωνυμίας έχει σχεδιαστεί για να προστατεύουν τη φήμη μιας επωνυμίας στο διαδίκτυο, περιορίζοντάς την από τη σύνδεση με αρνητικό και ακατάλληλο περιεχόμενο.
Maximum of the resolvent over matrices with given spectrum
Creators: name: Szehr, Oleg
name: Zarouf, Rachid
Publisher: name: arXiv
Year: 2015
Subjects: subject: Numerical Analysis (math.NA)
subject: Functional Analysis (math.FA)
subject: Spectral Theory (math.SP)
subject: FOS: Mathematics

description: In numerical analysis it is often necessary to estimate the condition number $CN(T)=||T||_{} \cdot||T^{-1}||_{}$ and the norm of the resolvent $||(ζ-T)^{-1}||_{}$ of a given $n\times n$ matrix $T$. We derive new spectral estimates for these quantities and compute explicit matrices that achieve our bounds. We recover the well-known fact that the supremum of $CN(T)$ over all matrices with $||T||_{} \leq1$ and minimal absolute eigenvalue $r=\min_{i=1,...,n}|λ_{i}|>0$ is the Kronecker bound $\frac{1}{r^{n}}$. This result is subsequently generalized by computing the corresponding supremum of $||(ζ-T)^{-1}||_{}$ for any $|ζ| \leq1$. We find that the supremum is attained by a triangular Toeplitz matrix. This provides a simple class of structured matrices on which condition numbers and resolvent norm bounds can be studied numerically. The occuring Toeplitz matrices are so-called model matrices, i.e. matrix representations of the compressed backward shift operator on the Hardy space $H_2$ to a finite-dimensional invariant subspace.
Investigative Analysis of GeV-scale Laser Driven Particle Accelerator
Creators: name: S G Siddanth
name: Kumar, D Milind
Publisher: name: figshare
Year: 2023
Subjects: Accelerators

description: — Laser-guided plasma wakefield accelerators are particle accelerators that are capable of supporting fields in excess of 100 GV/m. They involve the principle of plasma wake excitation using laser pulses or particle beams. This paper analyses the physics of plasma wakefield accelerators driven by short-pulse lasers or particle beams. It also describes the significant characteristics of plasma beat waves (PBW), laser propagation effects and plasma wave excitation, as well as the basic design and characteristics of laser-guided plasma wakefield accelerators (LINAC, cyclotron and synchrotron). The idea of laser-driven WFA (LWFA) enhancement using SRF is an on-going promising field and is covered extensively. The numerical simulations and plots have been modelled for electric field, density and potential profiles, collisions and positional information, trajectory of particles and application of Poisson equation in fluid flow. Analytical equations for the bubble regime and [3D] spectral mode of plasma dynamics is also covered.
Frequency correlations in reflection from random media
Creators: name: Knothe, Angelika
name: Wellens, Thomas
Publisher: name: arXiv
Year: 2015
Subjects: subject: Optics (physics.optics)
subject: FOS: Physical sciences

description: We present a theoretical study of frequency correlations of light backscattered from a random scattering medium. This statistical quantity provides insight into the dynamics of multiple scattering processes accessible both, in theoretical and experimental investigations. For frequency correlations between field amplitudes, we derive a simple expression in terms of the path length distribution of the underlying backscattering processes. In a second step, we apply this relation to describe frequency correlations between intensities in the regime of weak disorder. Since, with increasing disorder strength, an unexplained breakdown of the angular structure of the frequency correlation function has recently been reported in experimental studies, we explore extensions of our model to the regime of stronger disorder. In particular, we show that closed scattering trajectories tend to suppress the angular dependence of the frequency correlation function.
description: 10 pages, 8 figures
BiomatDB: Advanced Database for Biomaterials with Data Analysis and Visualisation Tools extended by a Marketplace with Digital Advisors
Creators: name: Celine Rabé
Publisher: name: Zenodo
Year: 2023
Subjects: ontology
standard
data management
global workshop
ontology commons ecosystem
FAIR

description: The BIOMATDB project aims to create an advanced database for biomaterials by providing detailed information on their properties. Flexible data analysis and visualization tools will facilitate the search and selection process. To support companies, especially SMEs, in offering their products and properly presenting themselves at global scale, BIOMATDB will provide a weboptimised information marketplace and digital advisors, thus helping the suppliers meet the needs of the demanders. Finally, the project will create a label of biocompatibility to define the suitability of biomaterials for their use in medical devices or advanced therapies and assist companies, especially SMEs, in choosing and facilitating market access for their products.
D9.5 - Communication and Dissemination Report III
Creators: name: Garatzogianni, Alexandra
name: Fribus, Michael
Publisher: name: Zenodo
Year: 2023
Subjects: Communication
Dissemination
Analysis
Results monitoring
Social media
Events
Press releases
Website
Open calls
KPI

description: This document monitors, analyses, and evaluates all communication and dissemination activities during the third and final project year of PLATOON (M25-M36), developed as per the communication and dissemination strategy. The main outcome of this deliverable is that the majority of the communication & dissemination KPIs have been achieved, thus WP9 progressed very well during the third project year, exceeding the targeted KPIs.
Switching between Hydrogenation and Olefin Transposition Catalysis via Silencing NH Cooperativity in Mn(I) Pincer Complexes
Creators: name: Yang, Wenjun
name: Chernyshov, Ivan Yu.
name: Weber, Manuela
name: Pidko, Evgeny A.
name: Filonenko, Georgy A.
Publisher: name: Freie Universität Berlin
Year: 2022
Subjects: subject: olefin transposition
subject: manganese complex
subject: metal−ligand cooperation
subject: metal hydrides
subject: ligand dynamics
subject: N−H functionality
subject: 500 Naturwissenschaften und Mathematik::540 Chemie::540 Chemie und zugeordnete Wissenschaften

description: While Mn-catalyzed (de)hydrogenation of carbonyl derivatives has been well established, the reactivity of Mn hydrides with olefins remains very rare. Herein, we report a Mn(I) pincer complex that effectively promotes site-controlled transposition of olefins. This reactivity is shown to emerge once the N–H functionality within the Mn/NH bifunctional complex is suppressed by alkylation. While detrimental for carbonyl (de)hydrogenation, such masking of the cooperative N–H functionality allows for the highly efficient conversion of a wide range of allylarenes to higher-value 1-propenybenzenes in near-quantitative yield with excellent stereoselectivities. The reactivity toward a single positional isomerization was also retained for long-chain alkenes, resulting in the highly regioselective formation of 2-alkenes, which are less thermodynamically stable compared to other possible isomerization products. The detailed mechanistic analysis of the reaction between the activated Mn catalyst and olefins points to catalysis operating via a metal–alkyl mechanism─one of the three conventional transposition mechanisms previously unknown in Mn complexes.
Flavonol-rich dark cocoa significantly decreases plasma endothelin-1 and improves cognition in urban children
Creators: name: Calderón-Garcidueñas, Lilian
name: D'Angiulli, Amedeo
name: Jewells, Valerie
name: Zhu, Hongtu
name: Solorio, Edelmira
name: Engle, Randall
name: Cross, Janet V.
name: Ferreira-Azevedo, Lara
name: Medina-Cortina, Humberto
name: Mora-Tiscareño, Antonieta
name: Chao, Chih-kai
name: Aragón-Flores, Mariana
name: Mukherjee, Partha S.
name: Franco-Lira, Maricela
name: Torres-Jardón, Ricardo
name: Gómez-Garza, Gilberto
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2013

description: Air pollution exposures are linked to systemic inflammation, cardiovascular and respiratory morbidity and mortality, neuroinflammation and neuropathology in young urbanites. In particular, most Mexico City Metropolitan Area (MCMA) children exhibit subtle cognitive deficits, and neuropathology studies show 40% of them exhibiting frontal tau hyperphosphorylation and 51% amyloid-β diffuse plaques (compared to 0% in low pollution control children). We assessed whether a short cocoa intervention can be effective in decreasing plasma endothelin 1 (ET-1) and/or inflammatory mediators in MCMA children. Thirty gram of dark cocoa with 680 mg of total flavonols were given daily for 10.11 ± 3.4 days (range 9–24 days) to 18 children (10.55 years, SD = 1.45; 11F/7M). Key metabolite ratios in frontal white matter and in hippocampus pre and during cocoa intervention were quantified by magnetic resonance spectroscopy. ET-1 significantly decreased after cocoa treatment (p = 0.0002). Fifteen children (83%) showed a marginally significant individual improvement in one or both of the applied simple short memory tasks. Endothelial dysfunction is a key feature of exposure to particulate matter (PM) and decreased endothelin-1 bioavailability is likely useful for brain function in the context of air pollution. Our findings suggest that cocoa interventions may be critical for early implementation of neuroprotection of highly exposed urban children. Multi-domain nutraceutical interventions could limit the risk for endothelial dysfunction, cerebral hypoperfusion, neuroinflammation, cognitive deficits, structural volumetric detrimental brain effects, and the early development of the neuropathological hallmarks of Alzheimer's and Parkinson's diseases.
Polaron Model of the Formation of Hydrated Electron States
Creators: name: Lakhno, V. D.
name: Volokhova, A. V.
name: Zemlyanaya, E. V.
name: Amirkhanov, I. V.
name: Puzynin, I. V.
name: Puzynina, T. P.
Publisher: name: arXiv
Year: 2015
Subjects: subject: Other Condensed Matter (cond-mat.other)
subject: FOS: Physical sciences

description: A computer simulation of the formation of photoexcited electrons in water is performed within the framework of a dynamic model. The obtained results are discussed in comparison with experimental data and theoretical estimates.
description: 6 pages, 8 figures
Ignorance, intention and stochastic outcomes
Creators: name: Friedrichsen, Jana
name: Momsen, Katharina
name: Piasenti, Stefano
Publisher: name: Freie Universität Berlin
Year: 2022
Subjects: subject: Information avoidance
subject: Dictator game
subject: Moral wiggle room
subject: Intentions
subject: Reciprocity
subject: 300 Sozialwissenschaften::330 Wirtschaft::330 Wirtschaft

description: In sequential interactions, both the agent’s intention and the outcome of his choice may influence the principal’s action. While outcomes are typically observable, intentions are more likely to be hidden, leaving potential wiggle room for the principal when deciding on a reciprocating action. We employ a controlled experiment to investigate how intentions and outcome affect the principal’s actions and whether principals use hidden information as an excuse to behave more selfishly. We find that principals react mainly to the intention of the agent. When intentions are not revealed by default, principals tend to select into information based on their inclination to behave more prosocially. While information avoidance is frequent and selfishness is higher with hidden information, we do not find evidence of a strategic exploitation of moral wiggle room.
Death ligand concentration and the membrane proximal signaling module regulate the type 1/ type 2 choice in apoptotic death signaling
Creators: name: Raychaudhuri, Subhadip
name: Raychaudhuri, Somkanya C.
Publisher: name: arXiv
Year: 2015
Subjects: subject: Cell Behavior (q-bio.CB)
subject: Biological Physics (physics.bio-ph)
subject: FOS: Biological sciences
subject: FOS: Physical sciences

description: Apoptotic death pathways are frequently activated by death ligand induction and subsequent activation of the membrane proximal signaling module. Death receptors cluster upon binding to death ligands, leading to formation of a membrane proximal death-inducing-signaling-complex (DISC). In this membrane proximal signalosome, initiator caspases (caspase 8) are processed resulting in activation of both type 1 and type 2 pathways of apoptosis signaling. How the type 1/type 2 choice is made is an important question in the systems biology of apoptosis signaling. In this study, we utilize a Monte Carlo based in silico approach to elucidate the role of membrane proximal signaling module in the type 1/type 2 choice of apoptosis signaling. Our results provide crucial mechanistic insights into the formation of DISC signalosome and caspase 8 activation. Increased concentration of death ligands was shown to correlate with increased type 1 activation. We also study the caspase 6 mediated system level feedback activation of apoptosis signaling and its role in the type 1/type 2 choice. Our results clarify the basis of cell-to-cell stochastic variability in apoptosis activation and ramifications of this issue is further discussed in the context of therapies for cancer and neurodegenerative disorders.
description: 33 pages, 8 figures in Syst Synth Biol 2014
From Chihuahua to Saint-Bernard: how did digestion and microbiota evolve with dog sizes
Creators: name: Deschamps, Charlotte
name: Humbert, Delphine
name: Zentek, Jürgen
name: Denis, Sylvain
name: Priymenko, Nathalie
name: Apper, Emmanuelle
name: Blanquet-Diot, Stéphanie
Publisher: name: Freie Universität Berlin
Year: 2022
Subjects: subject: canine
subject: digestive physiology
subject: gut microbiota
subject: petfood
subject: veterinary products
subject: 600 Technik, Medizin, angewandte Wissenschaften::630 Landwirtschaft::630 Landwirtschaft und verwandte Bereiche

description: Health and well-being of dogs are of paramount importance to their owners. Digestion plays a key role in dog health, involving physicochemical, mechanical and microbial actors. However, decades of breeding selection led to various dog sizes associated with different digestive physiology and disease sensitivity. Developing new products requires the consideration of all the multi-faceted aspects of canine digestion, the evaluation of food digestibility, drug release and absorption in the gut. This review paper provides an exhaustive literature survey on canine digestive physiology, focusing on size effect on anatomy and digestive parameters, with graphical representation of data classified as “small”, “medium” and “large” dogs. Despite the huge variability between protocols and animals, interesting size effects on gastrointestinal physiology were highlighted, mainly related to the colonic compartment. Colonic measurements, transit time permeability, fibre degradation, faecal short-chain fatty acid concentration and faecal water content increase while faecal bile acid concentration decreases with body size. A negative correlation between body weight and Proteobacteria relative abundance was observed suggesting an effect of dog body size on faecal microbiota. This paper gathers helpful in vivo data for academics and industrials and supports the development of new food and pharma products to move towards canine personalized nutrition and health.
Female-limited X chromosome evolution reveals that lifespan is mainly modulated by interlocus rather than intralocus sexual conflict
Creators: name: Lund-Hansen, Katrine K.
name: Kutzer, Megan A. M.
name: Armitage, Sophie A. O.
name: Gornard, Samuel
name: Keilani, Hamilcar
name: Abbott, Jessica K.
Publisher: name: Freie Universität Berlin
Year: 2022
Subjects: subject: Resistance
subject: Tolerance
subject: Drosophila melanogaster
subject: Sexual antagonism
subject: Experimental evolution
subject: Longevity
subject: 500 Naturwissenschaften und Mathematik::570 Biowissenschaften; Biologie::570 Biowissenschaften; Biologie

description: Sexual dimorphism in somatic investment may be shaped by two distinct forms of sexual conflict; under intralocus sexual conflict (IASC), males and females have different optimal levels of somatic investment but are constrained from reaching their respective optima by their shared genome, while under interlocus sexual conflict (IRSC), males and females have different optimal sexual strategies, which could have direct or indirect effects on levels of somatic investment. We investigated effects of IASC and IRSC on two aspects of somatic investment, immune defence strategies and longevity, using previously established female-limited experimental evolution lines in Drosophila melanogaster. We found little evidence for any effect of either type of sexual conflict on investment in the immune defence resistance or tolerance. Nor did we find convincing evidence that longevity is subject to IASC in this species. However, we did find evidence that increased female control over mating rate had important and opposite effects on longevity between the sexes. Specifically, females that had adapted to high levels of female control over mating had a longer lifespan when kept in mixed-sex groups, while males had shorter longevity, perhaps due to increased investment in post-copulatory sexual selection. These novel results show that female control over mating rates may have important and unexpected effects on patterns of somatic investment.
Stability, dissolution, and cytotoxicity of NaYF4-upconversion nanoparticles with different coatings
Creators: name: Bastos, Veronica
name: Oskoei, Párástu
name: Andresen, Elina
name: Saleh, Maysoon I.
name: Rühle, Bastian
name: Resch-Genger, Ute
name: Oliveira, Helena
Publisher: name: Freie Universität Berlin
Year: 2022
Subjects: subject: Chemistry
subject: Materials science
subject: Nanoscience and technology
subject: 500 Naturwissenschaften und Mathematik::540 Chemie::540 Chemie und zugeordnete Wissenschaften

description: Upconversion nanoparticles (UCNPs) have attracted considerable attention owing to their unique photophysical properties. Their utilization in biomedical applications depends on the understanding of their transformations under physiological conditions and their potential toxicity. In this study, NaYF4:Yb,Er UCNPs, widely used for luminescence and photophysical studies, were modified with a set of four different coordinatively bound surface ligands, i.e., citrate, alendronate (AA), ethylendiamine tetra(methylene phosphonate) (EDTMP), and poly(maleic anhydride-alt-1-octadecene) (PMAO), as well as silica coatings with two different thicknesses. Subsequently, the aging-induced release of fluoride ions in water and cell culture media and their cytotoxic profile to human keratinocytes were assessed in parallel to the cytotoxic evaluation of the ligands, sodium fluoride and the lanthanide ions. The cytotoxicity studies of UCNPs with different surface modifications demonstrated the good biocompatibility of EDTMP-UCNPs and PMAO-UCNPs, which is in line with the low amount of fluoride ions released from these samples. An efficient prevention of UCNP dissolution and release of cytotoxic ions, as well as low cytotoxicity was also observed for UCNPs with a sufficiently thick silica shell. Overall, our results provide new insights into the understanding of the contribution of surface chemistry to the stability, dissolution behavior, and cytotoxicity of UCNPs. Altogether, the results obtained are highly important for future applications of UCNPs in the life sciences and bioimaging studies.
Sulfated glycosaminoglycans inhibit transglutaminase 2 by stabilizing its closed conformation
Creators: name: Müller, Claudia Damaris
name: Ruiz-Gómez, Gloria
name: Cazzonelli, Sophie
name: Möller, Stephanie
name: Wodtke, Robert
name: Löser, Reik
name: Freyse, Joanna
name: Dürig, Jan-Niklas
name: Rademann, Jörg
name: Hempel, Ute
Publisher: name: Freie Universität Berlin
Year: 2022
Subjects: subject: Biochemistry
subject: Chemical biology
subject: Computational biology and bioinformatics
subject: Structural biology
subject: 500 Naturwissenschaften und Mathematik::570 Biowissenschaften; Biologie::570 Biowissenschaften; Biologie

description: Transglutaminases (TGs) catalyze the covalent crosslinking of proteins via isopeptide bonds. The most prominent isoform, TG2, is associated with physiological processes such as extracellular matrix (ECM) stabilization and plays a crucial role in the pathogenesis of e.g. fibrotic diseases, cancer and celiac disease. Therefore, TG2 represents a pharmacological target of increasing relevance. The glycosaminoglycans (GAG) heparin (HE) and heparan sulfate (HS) constitute high-affinity interaction partners of TG2 in the ECM. Chemically modified GAG are promising molecules for pharmacological applications as their composition and chemical functionalization may be used to tackle the function of ECM molecular systems, which has been recently described for hyaluronan (HA) and chondroitin sulfate (CS). Herein, we investigate the recognition of GAG derivatives by TG2 using an enzyme-crosslinking activity assay in combination with in silico molecular modeling and docking techniques. The study reveals that GAG represent potent inhibitors of TG2 crosslinking activity and offers atom-detailed mechanistic insights.
Titan Atmospheric Model (TAM) Data for "The Heat and Momentum Budgets of Titan's Middle Atmoshere"
Creators: name: Lombardo, Nicholas
name: Lora, Juan
Publisher: name: Zenodo
Year: 2023

description: Here is archived the Titan Atmospheric Model (TAM) data analyzed in "The Heat and Momentum Budgets of Titan's Middle Atmosphere" (Lombardo & Lora, 2024).
Questions should be directed to --- nicholas.lombardo@yale.edu, Updated Oct 19 2023
 
This archive includes netCDF files for zonal mean values of:
all_temps -- the temperature
all_u --- the zonal wind
all_v -- the meridional wind
heat_adia --- adiabatic heating from vertical motion
heat_hor_tot -- the total advection of heat by meridional motion
heat_lw_rad --- heating by longwave radiation
heat_sw_rad --- heating by shortwave radiation
heat_total --- the total heasting rate of the atmosphere
heat_ver_tot --- total advection of heat by vertical motion
mome_coriolis --- acceleration due to the Coriolis effect
mome_hor_mean  -- acceleration by the mean meridional flow
mome_hor_st --- acceleration by standing horizontal eddies
mome_hor_tr --- acceleration by transient horizontal eddies
mome_total --- the total acceleration of the zonal wind
mome_ver_mean --- acceleration of the zonal wind by the mean vertical flow
mome_ver_st --- acceleration by standing vertical eddies
mome_ver_tr --- acceleration by transient vertical eddies
description: This work was funded by NASA Cassini Data Analysis Program Grant 80NSSC20K0483.
Protomer Formation Can Aid the Structural Identification of Caffeine Metabolites
Creators: name: Sepman, Helen
name: Tshepelevitsh, Sofja
name: Hupatz, Henrik
name: Kruve, Anneli
Publisher: name: Freie Universität Berlin
Year: 2022
Subjects: subject: Ions
subject: Metabolism
subject: Molecular structure
subject: 500 Naturwissenschaften und Mathematik::540 Chemie::540 Chemie und zugeordnete Wissenschaften

description: The structural annotation of isomeric metabolites remains a key challenge in untargeted electrospray ionization/high-resolution mass spectrometry (ESI/HRMS) metabolomic analysis. Many metabolites are polyfunctional compounds that may form protomers in electrospray ionization sources and therefore yield multiple peaks in ion mobility spectra. Protomer formation is strongly structure-specific. Here, we explore the possibility of using protomer formation for structural elucidation in metabolomics on the example of caffeine, its eight metabolites, and structurally related compounds. It is observed that two-thirds of the studied compounds formed high- and low-mobility species in high-resolution ion mobility. Structures in which proton hopping was hindered by a methyl group at the purine ring nitrogen (position 3) yielded structure-indicative fragments with collision-induced dissociation (CID) for high- and low-mobility ions. For compounds where such a methyl group was not present, a gas-phase equilibrium could be observed for tautomeric species with two-dimensional ion mobility. We show that the protomer formation and the gas-phase properties of the protomers can be related to the structure of caffeine metabolites and facilitate the identification of the structural isomers.
Exploring BSEP inhibition-mediated toxicity with a mechanistic model of drug-induced liver injury
Creators: name: Watkins, Paul B.
name: Barton, Hugh A.
name: Woodhead, Jeffrey L.
name: Siler, Scott Q.
name: Yang, Kyunghee
name: Howell, Brett A.
name: Brouwer, Kim L. R.
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2014

description: Inhibition of the bile salt export pump (BSEP) has been linked to incidence of drug-induced liver injury (DILI), presumably by the accumulation of toxic bile acids in the liver. We have previously constructed and validated a model of bile acid disposition within DILIsym®, a mechanistic model of DILI. In this paper, we use DILIsym® to simulate the DILI response of the hepatotoxic BSEP inhibitors bosentan and CP-724,714 and the non-hepatotoxic BSEP inhibitor telmisartan in humans in order to explore whether we can predict that hepatotoxic BSEP inhibitors can cause bile acid accumulation to reach toxic levels. We also simulate bosentan in rats in order to illuminate potential reasons behind the lack of toxicity in rats compared to the toxicity observed in humans. DILIsym® predicts that bosentan, but not telmisartan, will cause mild hepatocellular ATP decline and serum ALT elevation in a simulated population of humans. The difference in hepatotoxic potential between bosentan and telmisartan is consistent with clinical observations. However, DILIsym® underpredicts the incidence of bosentan toxicity. DILIsym® also predicts that bosentan will not cause toxicity in a simulated population of rats, and that the difference between the response to bosentan in rats and in humans is primarily due to the less toxic bile acid pool in rats. Our simulations also suggest a potential synergistic role for bile acid accumulation and mitochondrial electron transport chain (ETC) inhibition in producing the observed toxicity in CP-724,714, and suggest that CP-724,714 metabolites may also play a role in the observed toxicity. Our work also compares the impact of competitive and noncompetitive BSEP inhibition for CP-724,714 and demonstrates that noncompetitive inhibition leads to much greater bile acid accumulation and potential toxicity. Our research demonstrates the potential for mechanistic modeling to contribute to the understanding of how bile acid transport inhibitors cause DILI.
title: Transcendence matters : rethinking transcendence, materialism and the divine in philosophical context
Creators: name: Haynes, Patrice.
Publisher: name: University of Liverpool Repository
Year: 2023

description: Where there has been a shift by certain strands of modern! postmodern thinkers towards rethinking 'transcendence' and the 'the divine' in strictly material and immanent terms, this thesis hopes to show that such a shift leads to problematic formulations of material immanence. Given such concerns a move is made towards developing an ontology that will properly sustain otherness (transcendence) within material immanence. Significantly, it will be suggested that this ontology is best supported given a theistic framework, where a more traditional understanding of divine transcendence is acknowledged. The turn towards thinking transcendence and! or the divine as entirely inherent within the world, rather than discontinuous with it in any way, is prompted by the worry that the affirmation of traditional, theistic understandings of divine transcendence invariably encourages the discrediting of the material world and inaugurates every kind of unwelcome hierarchical dualisms, for example, God! World, Transcendence/ Immanence, Spirit! Matter, etc. This thesis examines the philosophies of Giles Deleuze, Luce Irigaray, Jacques Derrida and Theodor Adorno to see how they might enable us to re-conceptualise 'transcendence' and! or 'the divine' in this-worldly, immanent terms. Specifically, I look at Deleuze's reading of Spinoza, Jrigaray's notion of the 'sensible transcendental', Derrida's 'differance', and Adorno's 'negative dialectics' in order to assess whether these deliver an account of material immanence broadly characterised by the otherness and becoming of embodied life. Through a careful analysis of their arguments I hope to demonstrate that these thinkers are unable to successfully account for otherness within material immanence in the ways that they claim. In light of the difficulties ascertained in these 'immanentist' philosophies, I argue for what I call a 'strong' ontological realism with respect to upholding otherness within material immanence. Such a realist ontology, I maintain, is most successfully accounted for given the reality of divine transcendence conceived in a monotheistic sense. I thus urge for a reconsideration of a more traditional conception of divine transcendence as one that actually secures otherness or difference within the material world rather than negates this.
Stress induces major depressive disorder by a neutral sphingomyelinase 2-mediated accumulation of ceramide-enriched exosomes in the blood plasma
Creators: name: Schumacher, Fabian
name: Carpinteiro, Alexander
name: Edwards, Michael J.
name: Wilson, Gregory C.
name: Keitsch, Simone
name: Soddemann, Matthias
name: Wilker, Barbara
name: Kleuser, Burkhard
name: Becker, Katrin Anne
name: Müller, Christian P.
Publisher: name: Freie Universität Berlin
Year: 2022
Subjects: subject: Major depression
subject: Neutral sphingomyelinase 2
subject: Ceramide
subject: Exosomes
subject: Behavior
subject: Neurogenesis
subject: 500 Naturwissenschaften und Mathematik::570 Biowissenschaften; Biologie::570 Biowissenschaften; Biologie

description: Major depressive disorder (MDD) is a very common, severe disease with a lifetime prevalence of ~ 10%. The pathogenesis of MDD is unknown and, unfortunately, therapy is often insufficient. We have previously reported that ceramide levels are increased in the blood plasma of patients with MDD and in mice with experimental MDD. Here, we demonstrate that ceramide-enriched exosomes in the blood plasma are increased in mice with stress-induced MDD. Genetic studies reveal that neutral sphingomyelinase 2 is required for the formation of ceramide-enriched exosomes in the blood plasma. Accordingly, induced deficiency of neutral sphingomyelinase 2 prevented mice from the development of stress-induced MDD. Intravenous injection of microparticles from mice with MDD or injection of ceramide-loaded exosomes induced MDD-like behavior in untreated mice, which was abrogated by ex vivo pre-incubation of purified exosomes with anti-ceramide antibodies or ceramidase. Mechanistically, injection of exosomes from mice with MDD or injection of ex vivo ceramide-loaded microparticles inhibited phospholipase D (PLD) in endothelial cells in vitro and in the hippocampus in vivo and thereby decreased phosphatidic acid in the hippocampus, which has been previously shown to mediate MDD by plasma ceramide. In summary, our data indicate that ceramide-enriched exosomes are released by neutral sphingomyelinase 2 into the blood plasma upon stress and mediate stress-induced MDD.
Influence of host iron status on Plasmodium falciparum infection
Creators: name: Cerami, Carla
name: Goheen, Morgan M.
name: Clark, Martha A.
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2014

description: Iron deficiency affects one quarter of the world's population and causes significant morbidity, including detrimental effects on immune function and cognitive development. Accordingly, the World Health Organization (WHO) recommends routine iron supplementation in children and adults in areas with a high prevalence of iron deficiency. However, a large body of clinical and epidemiological evidence has accumulated which clearly demonstrates that host iron deficiency is protective against falciparum malaria and that host iron supplementation may increase the risk of malaria. Although many effective antimalarial treatments and preventive measures are available, malaria remains a significant public health problem, in part because the mechanisms of malaria pathogenesis remain obscured by the complexity of the relationships that exist between parasite virulence factors, host susceptibility traits, and the immune responses that modulate disease. Here we review (i) the clinical and epidemiological data that describes the relationship between host iron status and malaria infection and (ii) the current understanding of the biological basis for these clinical and epidemiological observations.
Signal identification for adaptive spectrum hyperspace access in wireless communications systems
Creators: name: Gorcin, Ali
name: Arslan, Huseyin
Publisher: name: arXiv
Year: 2015
Subjects: subject: Networking and Internet Architecture (cs.NI)
subject: Information Theory (cs.IT)
subject: FOS: Computer and information sciences

description: Technologies which will lead to adaptive, intelligent, and aware wireless communications systems are expected to offer solutions to the capacity, interference, and reliability problems of wireless networks. The spectrum sensing feature of cognitive radio (CR) systems is a step forward to better recognize the problems and to achieve efficient spectrum allocation. On the other hand, even though spectrum sensing can constitute a solid base to accomplish the reconfigurability and awareness goals of next generation networks, a new perspective is required to benefit from the whole dimensions of the available electro (or spectrum) hyperspace, beyond frequency and time. Therefore, spectrum sensing should evolve to a more general and comprehensive awareness providing mechanism, not only as part of CR systems but also as a communication environment awareness component of an adaptive spectrum hyperspace access (ASHA) paradigm which can adapt sensing parameters autonomously to ensure robust signal identification, parameter estimation, and interference avoidance. Such an approach will lead to recognition of communication opportunities in different dimensions of the spectrum hyperspace, and provide necessary information about the air interfaces, access techniques and waveforms that are deployed over the monitored spectrum to accomplish ASHA, resource and interference management.
description: Appears in IEEE Communications Magazine, 2014
Identifying genes that mediate anthracyline toxicity in immune cells
Creators: name: Suzuki, Oscar T.
name: Wiltshire, Tim
name: Thomas, Russell S.
name: Benton, Cristina
name: Richards, Kristy L.
name: Frick, Amber
name: Fedoriw, Yuri
name: Parks, Bethany
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2015

description: The role of the immune system in response to chemotherapeutic agents remains elusive. The interpatient variability observed in immune and chemotherapeutic cytotoxic responses is likely, at least in part, due to complex genetic differences. Through the use of a panel of genetically diverse mouse inbred strains, we developed a drug screening platform aimed at identifying genes underlying these chemotherapeutic cytotoxic effects on immune cells. Using genome-wide association studies (GWAS), we identified four genome-wide significant quantitative trait loci (QTL) that contributed to the sensitivity of doxorubicin and idarubicin in immune cells. Of particular interest, a locus on chromosome 16 was significantly associated with cell viability following idarubicin administration (p = 5.01 × 10−8). Within this QTL lies App, which encodes amyloid beta precursor protein. Comparison of dose-response curves verified that T-cells in App knockout mice were more sensitive to idarubicin than those of C57BL/6J control mice (p < 0.05). In conclusion, the cellular screening approach coupled with GWAS led to the identification and subsequent validation of a gene involved in T-cell viability after idarubicin treatment. Previous studies have suggested a role for App in in vitro and in vivo cytotoxicity to anticancer agents; the overexpression of App enhances resistance, while the knockdown of this gene is deleterious to cell viability. Further investigations should include performing mechanistic studies, validating additional genes from the GWAS, including Ppfia1 and Ppfibp1, and ultimately translating the findings to in vivo and human studies.
Continuum Model of the One-Dimensional Holstein Bipolaron in DNA
Creators: name: Kashirina, N. I.
name: Lakhno, V. D.
Publisher: name: arXiv
Year: 2015
Subjects: subject: Other Condensed Matter (cond-mat.other)
subject: FOS: Physical sciences

description: The work is devoted to obtaining the 1D bipolaron functional by Holstein method for the continuum approximation. We analyzed the effect of electron correlations associated with the direct dependence of the wave function of the electron system from the electron-electron distance on the binding energy of the bipolaron. Numerical calculations of the bipolaron binding energy were performed according to the parameters of the system.
description: 8 pages, 3 figures; in Russian. Published in peer-reviewed open access journal. http://www.matbio.org/about.php?lang=eng
Non-Invasive Methods for Estradiol Recovery from Infant Fecal Samples
Creators: name: Lampl, Michelle
name: Johnson, Michael L.
name: Whitten, Patricia L.
name: Thompson, Amanda L.
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2010

description: While the activation of the infant hypothalamic–pituitary–gonadal axis and the existence of a postnatal gonadotropin surge were first documented in the early 1970s, study of the longitudinal development of gonadal hormones in infancy, and the potential physiological and behavioral correlates of this development, have been hampered by reliance on infrequent serum sampling. The present study reports the validation of a non-invasive method for repeated assessment of steroid hormones in infant fecal samples. Fecal samples were collected in and excised from cotton diaper liners and extracted using methanol. Extracts were analyzed for estradiol using a diluted assay modification. Method validity was supported by a steroid recovery rate of at least 80%, a sensitivity of 0.35 pg/ml, and inter- and intra-assay coefficients of variations of less than 10 and 20%, respectively. Variation in estradiol concentration was assessed across (1) sample type (scraped vs. cut from diaper liner), (2) time of day (morning vs. afternoon/evening samples), (3) time interval between samples, and (4) time-to-assay (1 day vs. 489 days after collection). Of these characteristics, only the time interval between samples within an individual was significantly associated with estradiol concentration. This is the first report of human infant fecal estradiol levels. The results support fecal recovery as a novel and powerful non-invasive tool for longitudinal studies of human infants, expanding research opportunities for investigating development of sex-specific behaviors in infancy, and the potential effects of endocrine disruptors on development.
Computational Modeling of Interacting VEGF and Soluble VEGF Receptor Concentration Gradients
Creators: name: Peirce-Cottler, Shayn M.
name: Chappell, John C.
name: Hashambhoy, Yasmin L.
name: Bautch, Victoria L.
name: Mac Gabhann, Feilim
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2011

description: Experimental data indicates that soluble vascular endothelial growth factor (VEGF) receptor 1 (sFlt-1) modulates the guidance cues provided to sprouting blood vessels by VEGF-A. To better delineate the role of sFlt-1 in VEGF signaling, we have developed an experimentally based computational model. This model describes dynamic spatial transport of VEGF, and its binding to receptors Flt-1 and Flk-1, in a mouse embryonic stem cell model of vessel morphogenesis. The model represents the local environment of a single blood vessel. Our simulations predict that blood vessel secretion of sFlt-1 and increased local sFlt-1 sequestration of VEGF results in decreased VEGF–Flk-1 levels on the sprout surface. In addition, the model predicts that sFlt-1 secretion increases the relative gradient of VEGF–Flk-1 along the sprout surface, which could alter endothelial cell perception of directionality cues. We also show that the proximity of neighboring sprouts may alter VEGF gradients, VEGF receptor binding, and the directionality of sprout growth. As sprout distances decrease, the probability that the sprouts will move in divergent directions increases. This model is a useful tool for determining how local sFlt-1 and VEGF gradients contribute to the spatial distribution of VEGF receptor binding, and can be used in conjunction with experimental data to explore how multi-cellular interactions and relationships between local growth factor gradients drive angiogenesis.