cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Maximal Speed of Propagation in Open Quantum Systems
Creators: name: Breteaux, Sébastien
name: Faupin, Jérémy
name: Lemm, Marius
name: Sigal, Israel Michael
Publisher: name: arXiv
Year: 2022
Subjects: subject: Quantum Physics (quant-ph)
subject: Mathematical Physics (math-ph)
subject: FOS: Physical sciences
subject: 35Q40 (Primary) 5P25, 81P47, 81U99 (Secondary)

description: We prove a maximal velocity bound for the dynamics of Markovian open quantum systems. The dynamics are described by one-parameter semi-groups of quantum channels satisfying the von Neumann-Lindblad equation. Our result says that dynamically evolving states are contained inside a suitable light cone up to polynomial errors. We also give a bound on the slope of the light cone, i.e., the maximal propagation speed. The result implies an upper bound on the speed of propagation of local perturbations of stationary states in open quantum systems.
Creative archive engagement activities for young people
Creators: name: Sharma, Maya
name: Dickinson, Annie
Publisher: name: University of Manchester
Year: 2022
Subjects: Other education not elsewhere classified

description: Interested in creative archive engagement activities? Getting young people interacting with and excited about archives is central to our engagement work at the AIU RACE Centre. This presentation will share some recent examples of engagement sessions where we’ve used creative methods to engage young people with RACE Centre archives, including poetry, collage and manifesto writing. We’ll share our expertise and reflect with colleagues on best practices for offering creative archive engagement activities, with plenty of opportunity for discussion.
title:  Diritto penale e devianza sociale
Creators: name: Damiani di Vergada Franzetti, Enrico
Publisher: name: Roma TrE-Press
Year: 2016

description: Questo lavoro studia in prospettiva teorica l’azione sociale che si svolge attraverso il diritto penale, focalizzandosi sulla distanza tra prassi sociali e norme penali considerata alla luce degli aspetti del diritto che tale distanza aumentano, al fine di considerarne l’impatto sul fenomeno della devianza sociale. Se la società è un campo di azioni e comunicazioni interconnesse in cui gli attori sociali agiscono teleologicamente in vista del raggiungimento di scopi idonei a soddisfare aspettative, allora l’azione sociale attraverso il diritto penale non consiste unicamente in azioni e aspettative d’azione orientate in base al diritto, ma anche in uno scambio di messaggi comunicativi tra i membri di un gruppo sociale in grado di influire reciprocamente sull’azione altrui coordinandosi e/o opponendosi ad essa.
description: Le crisi della contemporaneità. Una prospettiva sociologica
Hybrid Targeted-Nontargeted Analysis of Environmental Air Samples
Creators: Argento, Brittany M.
Publisher: name: University of Alberta Library
Year: 2022

Air pollution is a global issue which has an impact on various aspects of life with a vast range of pollutants being monitored with different methods. One class of pollutants is the volatile organic compounds and their presence in the air requires improved methods to accurately report the contaminants present. Improved reporting is necessary as current methods are designed to report target compounds, but other volatile organic compounds present in the air can slip through the cracks using these target lists. Therefore, traditional methods have the risk of compounds being missed due to them not being on the target lists. These unknown compounds could also be important in monitoring air quality due to their impact on human health. New methods are needed to determine the presence of both target compounds and unknown compounds through nontargeted analysis. These methods are referred to as hybrid targeted-nontargeted methods and in this work, this is possible using comprehensive two-dimensional gas chromatography. This instrumentation coupled with thermal desorption enables a hybrid targeted-nontargeted method for the analysis of volatile organic compounds in air. Applying this instrumentation to environmental air monitoring can allow for complex samples to be analyzed with more compounds being detected over traditional methods.

    Method development has taken place to create a hybrid targeted-nontargeted method for volatile organic compounds in the atmosphere using thermal desorption. Coupling the hybrid method to thermal desorption allows for increased detection of analytes while also simplifying the sample preparation process. Here the separation parameters were optimized as well as conditions for both stages of the thermal desorption process. Furthermore, the sensitivity of the method was examined through limits of detection and limits of quantification. Various applications of the hybrid method have been explored both in outdoor applications and indoor locations to see the variety of volatile compounds which can be present. Overall, a novel hybrid targeted-nontargeted method has been developed for the purpose of air monitoring with the eventuality of being used in an environmental monitoring laboratory. Field applications have shown that there are many compounds which can be present in the air are not on the target list. The work seen in this MSc. thesis has provided a groundwork for a hybrid method for the detection of volatile organic compounds in the air which can be employed for better monitoring of air quality.
Disentangling fatigue from fatigability : can individualization of mental fatigue help?
Creators: name: Holgado, Darias
name: Sanabria, Daniel
name: Borragán, Guillermo
name: Place, Nicolas
Publisher: name: Open Science Framework
Year: 2022
Subjects: subject: Sports Sciences
subject: Physiology
subject: FOS: Biological sciences
subject: Exercise Physiology
subject: Medicine and Health Sciences
subject: Life Sciences
subject: Social and Behavioral Sciences
subject: Psychology
subject: FOS: Psychology
subject: Exercise Science
subject: Mental fatigue
subject: Neuromuscular evaluation
subject: Sport Science
subject: TMS

description: The present pre-registered (report) research aims at testing whether an individualized mental effort task would impair physical performance in a time-to-exhaustion test. In this study, we seek to establish links between perception of fatigue, fatigability and exercise performance.
Open Access - Es ist nicht alles Gold was glänzt
Creators: name: Oberländer, Anja
Publisher: name: Zenodo
Year: 2020
Subjects: Open Access

description: Open Access - Es ist nicht alles Gold was glänzt Open Access meint den freien Zugang zu wissenschaftlicher Literatur im Internet. Trotz vieler Vorteile, großer Zustimmung und dem Bestehen der Open-Access-Bewegung seit fast zwanzig Jahren, ist weltweit nur etwa ein Drittel aller Publikationen in wissenschaftlichen Zeitschriften frei verfügbar. Warum dies so ist, erfahren Sie ebenso wie die Vorteile und Bedenken in der Präsentation "Open Access - Es ist nicht alles Gold was glänzt". Zum Video zu den Präsentationsfolien.
The Madwoman as Antagonist in English Gothic Fiction
Creators: King, Shivaughn M.
Publisher: name: University of Alberta Library
Year: 2022

This thesis aims to investigate the portrayal of madwoman characters as antagonists in English literature, in order to contribute to ongoing critical discussions on the subject of the madwoman in feminist literary criticism. The thesis performs a close reading of the characters of Bertha Mason in Charlotte Brontë’s Jane Eyre (1847), Mrs. Danvers in Daphne du Maurier’s Rebecca (1938) and its film adaptations, and Adeline March in Diane Setterfield’s The Thirteenth Tale (2006). The selection of texts from three different centuries demonstrates historical continuity in the representation of madwoman antagonist literary characters. Furthermore, this thesis refers to these fictional texts as well as critical commentary in order to demonstrate that the terms “madness” and “madwoman” have an inherent connection to the term “mental illness” and thus to real-world perceptions of mental disorder. For this reason, the representation of madwoman characters as antagonists is particularly notable, in that it suggests an association between madness, and by extension mental illness, and the villainous actions of the characters. This thesis demonstrates that in each of the three texts in question, the madwoman antagonist is associated with violent and destructive actions. This results in the implication that madness makes these women inherently dangerous and destructive. Given that they are not the protagonists or viewpoint characters of the novels, these madwoman antagonists are also unable to tell their own stories, meaning the novels provide no counter-narrative to their negative portrayals.
Understanding the dual mechanism of bioactive peptides targeting the enzymes involved in Renin Angiotensin System (RAS): An in-silico approach
Creators: name: Seshan Gunalan
name: Somarathinam, Kanagasabai
name: Bhattacharya, Jayanti
name: Shantkriti Srinivasan
name: S. M. Jaimohan
name: Manoharan, Ravi
name: Sowmya Ramachandran
name: Sekar Kanagaraj
name: Gugan Kothandan
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Molecular Biology
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Computational Biology

description: Understanding the dual inhibition mechanism of food derivative peptides targeting the enzymes (Renin and Angiotensin Converting enzyme) in the Renin Angiotensin System. Two peptides RALP and WYT were reported to possess antihypertensive activity targeting both renin and ACE, and we have used molecular docking and molecular dynamics simulation, in order to understand the underlying mechanism. The selected peptides (RALP and WYT) from the series of peptides reported were docked to renin and ACE and two binding modes were selected based on the binding energy, interaction pattern and clusters of docking simulation. The enzyme-peptide complexes for renin and ACE (Renin/RALP1,2; ACE/RALP1,2; Renin/WYT1,2 and ACE/WYT1,2) were subjected to molecular dynamics simulation. Our results identified that the peptides inhibiting renin, tends to move out of the binding pockets (S1’ S2’) which is critical for potent binding and occupies the less important pockets (S4 and S3). This could possibly be the reason for its low potency. Whereas, the same peptides targeting ACE, tends to be intact in the pocket because of the metal ion coordination and there is an ample room to improve on its efficacy. Our results further pave way for the biochemist, medicinal chemist to design dual peptides targeting the RAS effectively. Communicated by Ramaswamy H. Sarma
Exploration of Immigrant Fathers’ Parenting Experiences Following an Offence Against an Intimate Partner Violence: A Narrative Inquiry
Creators: Martinovich, Vincenza
Publisher: name: University of Alberta Library
Year: 2022

To date, our understanding of the parenting experiences of immigrant fathers with a history of intimate partner violence (IPV) is severely limited. Given the cultural considerations and circumstances of immigration associated with IPV and recent emergence of separate interventions for immigrant offenders, generating insight into these fathers’ experiences is essential to support these men in their role as parents. The purpose of this narrative study was to gain an in-depth understanding of the parenting experiences of immigrant fathers with a history of IPV based on the collection of their stories. The participants included seven immigrant fathers ranging in age from 30 to 62 who were attending or had previously completed group IPV treatment in a Western Canadian province. All participants had at least one biological child under the age of 18. The majority of fathers lived with their children and had some form of contact with them at the time of their first interview. Individual semi-structured interviews were conducted with each participant in which they were asked to share their parenting stories and experiences. A second interview was completed with a subset of two participants to ensure their stories were accurately represented. Fathers’ narratives illustrated co-parenting challenges and stressors post-IPV, characteristics of “good” fatherhood, as well as the role of culture in shaping fathers’ understanding of familial relationships and gender roles. For some, children served as a motivator toward change and rehabilitation, whereas others did not acknowledge any changes in their parenting relationship post-IPV. Findings are discussed in relation to implications for IPV treatment with immigrant populations and future directions for research are identified. Recommendations for practitioners which integrate findings from this study in the context of the existing model of service delivery for offenders of IPV are also provided.
Tens to hundreds of keV electron precipitation driven by kinetic Alfvén waves during an electron injection
Creators: name: Shen, Y.
name: Artemyev, A. V.
name: Zhang, X. -J.
name: Angelopoulos, V.
name: Vasko, I.
name: Turner, D.
name: Tsai, E.
name: Wilkins, C.
name: Weygand, J.
name: Russell, C. T.
name: Ergun, R. E.
name: Giles, B. L.
Publisher: name: arXiv
Year: 2022
Subjects: subject: Space Physics (physics.space-ph)
subject: Fluid Dynamics (physics.flu-dyn)
subject: Plasma Physics (physics.plasm-ph)
subject: FOS: Physical sciences

description: Electron injections are critical processes associated with magnetospheric substorms, which deposit significant electron energy into the ionosphere. Although wave scattering of $<$10 keV electrons during injections has been well studied, the link between magnetotail electron injections and energetic ($\geq$100 keV) electron precipitation remains elusive. Using conjugate observations between the ELFIN and Magnetospheric Multiscale (MMS) missions, we present evidence of tens to hundreds of keV electron precipitation to the ionosphere potentially driven by kinetic Alfvén waves (KAWs) associated with magnetotail electron injections and magnetic field gradients. Test particle simulations adapted to observations show that dipolarization-front magnetic field gradients and associated $\nabla B$ drifts allow Doppler-shifted Landau resonances between the injected electrons and KAWs, producing electron spatial scattering across the front which results in pitch-angle decreases and subsequent precipitation. Test particle results show that such KAW-driven precipitation can account for ELFIN observations below $\sim$300 keV.
description: 25 pages, 5 figures, with supporting information, the manuscript has been accepted for publication by JGR space physics
GM2Calc-2 for the 2HDM
Creators: name: Athron, Peter
name: Balazs, Csaba
name: Cherchiglia, Adriano
name: Jacob, Douglas H. J.
name: Stöckinger, Dominik
name: Stöckinger-Kim, Hyejung
name: Voigt, Alexander
Publisher: name: arXiv
Year: 2022
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: GM2Calc is a leading tool for calculating precise contributions to $a_μ$ in the Minimal Supersymmetric Standard Model. In this proceeding we detail GM2Calc version 2 where it is extended so it can calculate two-loop contributions to $a_μ$ in the Two-Higgs Doublet Model (2HDM), based on the work in Ref. [1]. The 2HDM is a simple model, yet it is one of the few single field extensions of the Standard Model which is able to explain the muon $g-2$ anomaly. We demonstrate the powerful and flexible 2HDM capabilities of GM2Calc2, which include the most precise contributions in the literature and allow the user to work in their favourite type of the 2HDM as well as use complex and lepton flavour violating couplings. With its multiple interfaces and input flexibility, GM2Calc2 is a powerful tool both as a standalone code and as part of a larger code toolchain.
description: 17 pages, 6 figures, proceedings of the CompTools2021 conference. Published Version
Merged experimental guided computational strategy toward tuberculosis treatment mediated by alveolar macrophages mannose receptor
Creators: name: Maharshi Thalla
name: Kant, Kamal
name: Dalchand
name: Rawat, Ravi
name: Subham Banerjee
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Biophysics
subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Pharmacology
subject: 69999 Biological Sciences not elsewhere classified
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Macrophage mannose receptor (MMR) is a C-type lectin that regulates the phagocytosis and phagocytosis-lysosome (P-L) fusion in tuberculosis. Mannose-capped lipoarabinomannan, a lipoglycan present at the surface of Mycobacterium tuberculosis, is an important factor in phagocyte attachment and internalization that is specific for MMR. Based on this idea, herein we have designed our experiment to understand the better site-specific delivery against tuberculosis. An experimental outcome was used as a basis to revisit the reverse experimental strategy for tuberculosis management. Stearic mannose was prepared from stearic acid incubation with the D-mannose. Interestingly, stearic mannose explained its internalization via stimulating actin-mediated phagocytic pathway of MMR experimentally. Following, an in silico strategy towards hypothetical designing of various mannose-stearyl conjugates (SBKK1-7) against tuberculosis, as binding promoter of MMR (PDB: 1EGI), was carried out using molecular docking and dynamics approaches. Overall, SPKK-5 viz. ortho stearic mannose showed a higher binding affinity with notable H-bonding and hydrophobic interactions. Pharmacokinetic and toxicity examinations illustrated an ideal range of descriptors values for apex screened compounds. Molecular dynamics simulations have confirmed its significant intactness with the MMR. Ultimately, the whole effort led to the identification of promising hit (SBKK-5), which positively correlates with the experimental work and furthermore need to explore its novel drug delivery systems with improved anti-tubercular therapy. Communicated by Ramaswamy H. Sarma
Hieracium sparsum Friv.
Creators: name: Info Flora
Publisher: name: Zenodo
Year: 2021
Subjects: Biodiversity
Taxonomy
Plantae
Tracheophyta
Magnoliopsida
Asterales
Asteraceae
Hieracium
Hieracium sparsum

description: Hieracium sparsum Friv.
Art ISFS: 204950 Checklist: 1023395 Asteraceae Hieracium Hieracium sparsum Friv.
Bestimmungsschlüssel
ZusammenfassungKEINE ANGABE
Ökologie
Lebensraum Lebensraumnach Delarze & al. 2015
KEINE ANGABE
Ökologische Zeigerwerte nach Landolt & al. (2010)
BodenfaktorenKlimafaktorenSalztoleranzFeuchtezahl F--Lichtzahl L--Salzzeichen--Reaktionszahl R--Temperaturzahl T--Nährstoffzahl N--Kontinentalitätszahl K--
Nomenklatur
Gültiger Name (Checklist 2017):Hieracium sparsumFriv.
Volksname
Deutscher Name: -- Nom français: -- Nome italiano: --
Übereinstimmung mit anderen Referenzwerken
RelationNomReferenzwerkeNo=Hieracium sparsum Friv.Checklist 2017204950
= Taxon stimmt mit akzeptiertem Taxon überein (Checklist 2017)  Taxon enthält (neben anderen) auch das akzeptierte Taxon (Checklist 2017)
Kommentare aus der Checklist 2017 Neu aufgenommenes Taxon für das grenznahe Ausland. Checklist
Status Indigenat: -
Liste der gefährdeten Pflanzen IUCN(nach Walter & Gillett 1997): Nein
description: Published as part of Info Flora, 2021,
Methodical Advice Collection and Reuse in Deep Reinforcement Learning
Creators: Sahir
Publisher: name: University of Alberta Library
Year: 2022

Reinforcement learning (RL) has shown great success in solving many challenging tasks via the use of deep neural networks. Although the use of deep learning for RL brings immense representational power to the arsenal, it also causes sample inefficiency. This means that the algorithms are data-hungry and require millions of training samples to converge to an adequate policy. One way to combat this issue is to use action advising in a teacher-student framework, where a knowledgeable teacher provides action advice to a student. Despite the promising results in the action advising literature, there are limitations, such as a limited advice budget, inflexibility of choices to conduct advice collection and reuse. This thesis proposes the use of single (student agent) or dual uncertainties (student and the model of teacher) to drive the advice collection and reuse process in order to provide more flexibility in our algorithms to more efficiently exploit a teacher’s advice budget. Additionally, this thesis introduces a new method to compute uncertainty for a deep learning RL agent using a secondary neural network. The results show that using two uncertainties to drive advice collection and reuse improves learning performance across several Atari games.
Applications of DECIDE Quantum-Classical Dynamics:  Proton Transfer and Quantum Battery Models
Creators: Liu, Zhe
Publisher: name: University of Alberta Library
Year: 2022

The quantum-classical Liouville equation (QCLE) provides a foundation for simulating the dynamics of quantum systems coupled to classical environments. Many processes including proton-transfer reactions, electron-transfer reactions, and heat transport in molecular junctions, for example, take place in such mixed quantum-classical systems. The most accurate algorithms for solving the QCLE require very large ensembles of trajectories to obtain converged results, which is computationally prohibitive for many systems. The recently developed "Deterministic evolution of coordinates with initial decoupled equations" (DECIDE) method has demonstrated promise in solving the QCLE with high accuracy and low computational cost for several model systems; however, its broad scale applicability is still under investigation.

Previously, the applications of DECIDE relied on subsystem and adiabatic energy basis representations. While these representations are convenient for certain systems, the position representation is convenient for many other systems, including systems undergoing proton- and electron-transfer reactions. Thus, as a starting point, we cast the DECIDE equations of motion for a simple one-dimensional proton-transfer model in a finite quantum harmonic oscillator position basis. After solving the DECIDE equations of motion in this basis, we showed that it is possible to generate trajectories that conserve the total energy of the system and we calculated various quantities of interest.  Next, we considered a two-dimensional proton-transfer model.  In this case, it was not possible to generate trajectories that conserve energy out to arbitrary times.  Our analysis revealed that the finite nature of the position basis and the order of the Hamiltonian are responsible for the accumulation of numerical errors that ultimately lead to a breakdown of energy conservation.

In a recent study, our group proposed a novel platform for an open excitonic quantum battery (EQB), which takes advantage of a symmetry-protected dark state residing in a decoherence-free subspace.  While in this dark state, the EQB can store an exciton for an indefinite period of time without any environment-induced population losses (known as the storage phase).  When a symmetry-breaking perturbation is connected to the EQB, the battery begins to discharge the exciton (known as the discharge phase). In this thesis, we demonstrated that the quantum battery is not only loss-free with respect to exciton population during the storage phase, but also with respect to the battery energy.  We then went on to explore the population and energy dynamics of the battery during the discharge phase over a wide range of parameter regimes – site energies, bath temperatures, and bath reorganization energies.  Our results shed light on how to control the rate/amount of population and/or energy from the battery.
HICF: Hyperbolic Informative Collaborative Filtering
Creators: name: Yang, Menglin
name: Li, Zhihao
name: Zhou, Min
name: Liu, Jiahong
name: King, Irwin
Publisher: name: arXiv
Year: 2022
Subjects: subject: Information Retrieval (cs.IR)
subject: Artificial Intelligence (cs.AI)
subject: FOS: Computer and information sciences

description: Considering the prevalence of the power-law distribution in user-item networks, hyperbolic space has attracted considerable attention and achieved impressive performance in the recommender system recently. The advantage of hyperbolic recommendation lies in that its exponentially increasing capacity is well-suited to describe the power-law distributed user-item network whereas the Euclidean equivalent is deficient. Nonetheless, it remains unclear which kinds of items can be effectively recommended by the hyperbolic model and which cannot. To address the above concerns, we take the most basic recommendation technique, collaborative filtering, as a medium, to investigate the behaviors of hyperbolic and Euclidean recommendation models. The results reveal that (1) tail items get more emphasis in hyperbolic space than that in Euclidean space, but there is still ample room for improvement; (2) head items receive modest attention in hyperbolic space, which could be considerably improved; (3) and nonetheless, the hyperbolic models show more competitive performance than Euclidean models. Driven by the above observations, we design a novel learning method, named hyperbolic informative collaborative filtering (HICF), aiming to compensate for the recommendation effectiveness of the head item while at the same time improving the performance of the tail item. The main idea is to adapt the hyperbolic margin ranking learning, making its pull and push procedure geometric-aware, and providing informative guidance for the learning of both head and tail items. Extensive experiments back up the analytic findings and also show the effectiveness of the proposed method. The work is valuable for personalized recommendations since it reveals that the hyperbolic space facilitates modeling the tail item, which often represents user-customized preferences or new products.
description: Proceedings of the 28th ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD '22)
Understanding the dual mechanism of bioactive peptides targeting the enzymes involved in Renin Angiotensin System (RAS): An In-Silico Approach
Creators: name: Seshan Gunalan
name: Somarathinam, Kanagasabai
name: Bhattacharya, Jayanti
name: Shantkriti Srinivasan
name: S.M Jaimohan
name: Manoharan, Ravi
name: Sowmya Ramachandran
name: Sekar Kanagaraj
name: Gugan Kothandan
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Molecular Biology
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Computational Biology

description: Understanding the dual inhibition mechanism of food derivative peptides targeting the enzymes (Renin and Angiotensin Converting enzyme) in the Renin Angiotensin System. Two peptides RALP and WYT were reported to possess antihypertensive activity targeting both renin and ACE, and we have used molecular docking and molecular dynamics simulation, in order to understand the underlying mechanism. The selected peptides (RALP and WYT) from the series of peptides reported were docked to renin and ACE and two binding modes were selected based on the binding energy, interaction pattern and clusters of docking simulation. The enzyme-peptide complexes for renin and ACE (Renin/RALP1,2; ACE/RALP1,2; Renin/WYT1,2 and ACE/WYT1,2) were subjected to molecular dynamics simulation. Our results identified that the peptides inhibiting renin, tends to move out of the binding pockets (S1’ S2’) which is critical for potent binding and occupies the less important pockets (S4 and S3). This could possibly be the reason for its low potency. Whereas, the same peptides targeting ACE, tends to be intact in the pocket because of the metal ion coordination and there is an ample room to improve on its efficacy. Our results further pave way for the biochemist, medicinal chemist to design dual peptides targeting the RAS effectively.
Mutation of critical residues reveals insights of yellow fever virus nonstructural protein 1 (NS1) stability and its formation
Creators: name: Menezes, Gabriela De Lima
name: Gonçalves, Ricardo Lemes
name: Lima, Raisa Melo
name: Maristela Pereira
name: Moreli, Marcos Lázaro
name: Silva, Roosevelt Alves Da
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: Ecology
subject: FOS: Biological sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Plant Biology
subject: 60506 Virology
subject: Computational Biology

description: Communicated by Ramaswamy H. Sarma
Statistical analysis of intermolecular interactions in trypsin-inhibitor complexes
Creators: name: Janeka Gartia
name: Barnwal, Ravi Pratap
name: Kandala V. R. Chary
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Space Science
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences

description: Communicated by Ramaswamy H. Sarma
An Intelligent Trust Cloud Management Method for Secure Clustering in 5G enabled Internet of Medical Things
Creators: name: Yang, Liu
name: Yu, Keping
name: Yang, Simon X.
name: Chakraborty, Chinmay
name: Lu, Yinzhi
name: Guo, Tan
Publisher: name: arXiv
Year: 2022
Subjects: subject: Networking and Internet Architecture (cs.NI)
subject: Artificial Intelligence (cs.AI)
subject: Systems and Control (eess.SY)
subject: FOS: Computer and information sciences
subject: FOS: Electrical engineering, electronic engineering, information engineering

description: 5G edge computing enabled Internet of Medical Things (IoMT) is an efficient technology to provide decentralized medical services while Device-to-device (D2D) communication is a promising paradigm for future 5G networks. To assure secure and reliable communication in 5G edge computing and D2D enabled IoMT systems, this paper presents an intelligent trust cloud management method. Firstly, an active training mechanism is proposed to construct the standard trust clouds. Secondly, individual trust clouds of the IoMT devices can be established through fuzzy trust inferring and recommending. Thirdly, a trust classification scheme is proposed to determine whether an IoMT device is malicious. Finally, a trust cloud update mechanism is presented to make the proposed trust management method adaptive and intelligent under an open wireless medium. Simulation results demonstrate that the proposed method can effectively address the trust uncertainty issue and improve the detection accuracy of malicious devices.
A Systematic Comparison of Two Refactoring-aware Merging Techniques
Creators: Ellis, Max
Publisher: name: University of Alberta Library
Year: 2022

Dealing with merge conflicts in version control systems is a challenging task for software developers. Resolving merge conflicts is a time-consuming and error-prone process, which distracts developers from important tasks. Recent work shows that refactorings are often involved in merge conflicts and that refactoring-related conflicts tend to be larger, making them harder to resolve. In the literature, there are two refactoring-aware merging techniques that claim to automatically resolve refactoring-related conflicts, an operationbased refactoring-aware merging approach called MolhadoRef and a graphbased refactoring-aware merging approach called IntelliMerge. However, these two techniques have never been empirically compared. In this thesis, wepresent RefMerge, a Java re-implementation of operation-based refactoringaware merging, but built on Git. In addition to contributing this new design and implementation of refactoring-aware operation-based merging, thisthesis contains the experimental results of comparing RefMerge to Git and IntelliMerge on 2,001 merge scenarios with refactoring-related conflicts from 20 open-source projects. The results show that RefMerge completely resolves143 (7%) merge scenarios while IntelliMerge resolves only 78 (4%). This thesis also presents a qualitative analysis of the differences between the three merging algorithms and provides insights into the strengths and weaknesses ofeach refactoring-aware tool.
D2.4.1 CO₂ quality in the ship-based CO₂ capture context
Creators: name: Monteiro, Juliana
Publisher: name: Zenodo
Year: 2025

description: The EverLoNG project covers multiple aspects of the marinization of CO2 capture – from techno-economic to environmental and regulatory aspects. In this deliverable, the quality of captured CO2 is discussed, in view of expected impurities and the most recent CO2 specifications from transport and storage CCS projects.

Onboard Carbon Capture (OCC) was demonstrated in EverLoNG onboard 2 vessels. In both campaigns, the impurities content in the exhaust gases and from the OCC pilot were monitored. The most relevant observation made in the context of CO2 quality is the relatively high NOx content in the exhaust gas of marine engines. At the Technology Centre Mongstad (TCM), a large CO2 capture pilot plant in Norway, the NOx content in the raw CO2 is measured at 0.5 ppmv, which is close to the Northern Lights and Aramis specifications (1.5 ppmv1). However, the reported NO2 content in the flue gases of TCM is below 2.5 ppmv, whereas in the EverLoNG campaigns values in the 50-250 ppmv range were measured (data publicly shared in EverLoNG webinars2). This indicates that the NOx content in OCC-produced CO2 will potentially be higher than specifications.

There are different approaches to tackle this challenge. The first would be to (further) remove NOx from the exhaust gases, for instance by applying selective catalytic reduction (SCR) and/or removing NO2 in the quench column by applying a sulphite-thiosulphate solution (this could also be integrated in a SOx scrubber). The proposed solutions would add to the treating costs onboard, but have the benefit of protecting the amine-based solvent from NO2-induced oxidative degradation. Alternatively, and if the presence of relatively high NO2 content in the liquid CO2 wouldn’t affect the onboard storage tanks, the on-shore CO2 receiving terminals could be equipped with NOx separation technologies.

Future research should focus on: a) measuring the NOx content in the raw and liquid CO2 in OCC pilots; b) verifying whether the risks of a potentially high NOx content is acceptable for the on-board storage tanks; c) evaluating and comparing different NOx removal technologies, both from technical and economic aspects. In the EverLoNG campaigns as well as in related literature, it was identified that the NO2 leads to increased rate of oxidative degradation of solvents. This implies increased rate of formation of degradation products. Therefore, monitoring the presence of other impurities, in particular NH3 and aldehydes in the raw and liquified CO2 should also be a focus point in future research.
Hieracium subnivale Gren. & Godr.
Creators: name: Info Flora
Publisher: name: Zenodo
Year: 2021
Subjects: Biodiversity
Taxonomy
Plantae
Tracheophyta
Magnoliopsida
Asterales
Asteraceae
Hieracium
Hieracium subnivale

description: Hieracium subnivale Gren. & Godr.
Art ISFS: 205100 Checklist: 1023420 Asteraceae Hieracium Hieracium piliferum aggr. Hieracium subnivale Gren. & Godr.
Bestimmungsschlüssel
ZusammenfassungKEINE ANGABE
Ökologie
Lebensraum Lebensraumnach Delarze & al. 2015
KEINE ANGABE
Ökologische Zeigerwerte nach Landolt & al. (2010)
BodenfaktorenKlimafaktorenSalztoleranzFeuchtezahl F--Lichtzahl L--Salzzeichen--Reaktionszahl R--Temperaturzahl T--Nährstoffzahl N--Kontinentalitätszahl K--
Nomenklatur
Gültiger Name (Checklist 2017):Hieracium subnivaleGren. & Godr.
Volksname
Deutscher Name: -- Nom français: -- Nome italiano: --
Übereinstimmung mit anderen Referenzwerken
RelationNomReferenzwerkeNo=Hieracium subnivale Gren. & Godr.Checklist 2017205100=Hieracium subnivale Gren. & Godr.SISF/ISFS 2205100
= Taxon stimmt mit akzeptiertem Taxon überein (Checklist 2017)  Taxon enthält (neben anderen) auch das akzeptierte Taxon (Checklist 2017)
Kommentare aus der Checklist 2017 Neuer Status: Das Taxon hatte im SISF-2 den Status «I» eines eingeschlossenen Namens und ist neu als gültiger Name akzeptiert. Checklist
Status Indigenat: -
Liste der gefährdeten Pflanzen IUCN(nach Walter & Gillett 1997): Nein
description: Published as part of Info Flora, 2021,
Proceedings of the Second Workshop on Agents and Robots for reliable Engineered Autonomy
Creators: name: Cardoso, Rafael C.
name: Ferrando, Angelo
name: Papacchini, Fabio
name: Askarpour, Mehrnoosh
name: Dennis, Louise A.
Publisher: name: arXiv
Year: 2022
Subjects: subject: Multiagent Systems (cs.MA)
subject: Robotics (cs.RO)
subject: Software Engineering (cs.SE)
subject: FOS: Computer and information sciences

description: This volume contains the proceedings of the Second Workshop on Agents and Robots for reliable Engineered Autonomy (AREA 2022), co-located with the 31st International Joint Conference on Artificial Intelligence and the 25th European Conference on Artificial Intelligence (IJCAI-ECAI 2022). The AREA workshop brings together researchers from autonomous agents, software engineering and robotic communities, as combining knowledge coming from these research areas may lead to innovative approaches that solve complex problems related with the verification and validation of autonomous robotic systems.
LBP Study Questionnaire_UoN
Creators: name: Saikou Yaya Kollet Diallo
Publisher: name: Figshare
Year: 2019
Subjects: subject: 111706 Epidemiology
subject: FOS: Health sciences
subject: 111705 Environmental and Occupational Health and Safety

description: This is the questionnaire used to generate the dataset for the low back pain study among teaching staff of the university of Nairobi, Kenya. The data collection was conducted in 2017.
Exploring the role of elongation Factor-Like 1 (EFL1) in Shwachman-Diamond syndrome through molecular dynamics
Creators: name: Delre, Pietro
name: Alberga, Domenico
name: Abril Gijsbers
name: Sánchez-Puig, Nuria
name: Nicolotti, Orazio
name: Saviano, Michele
name: Siliqi, Dritan
name: Mangiatordi, Giuseppe Felice
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Medicine
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Developmental Biology
subject: Cancer
subject: Hematology
subject: Computational Biology

description: Shwachman-Diamond Syndrome (SDS) is an autosomal recessive disorder whose patients present mutations in two ribosome assembly proteins, the Shwachman-Bodian-Diamond Syndrome protein (SBDS) and the Elongation Factor-Like 1 (EFL1). Due to the lack of knowledge of the molecular mechanisms responsible for SDS pathogenesis, current therapy is nonspecific and focuses only at alleviating the symptoms. Building on the recent observation that EFL1 single-point mutations clinically manifest as SDS-like phenotype, we carried out comparative Molecular Dynamics (MD) simulations on three mutants, T127A, M882K and R1095Q and wild type EFL1. As supported by small angle X-ray scattering experiments, the obtained data improve the static EFL1 model resulting from the Cryo-electron microscopy and clearly show that all the mutants experience a peculiar rotation, around the hinge region, of domain IV with respect to domains I and II leading to a different conformation respect to that of wild type protein. This study supports the notion that EFL1 function is governed by an allosteric mechanism involving the concerted action of GTPase domain (domain I) and the domain IV and can help point towards new approaches to SDS treatment. Communicated by Ramaswamy H. Sarma
Method Development for High-Coverage Metabolome Analysis
Creators: Li, Hao
Publisher: name: University of Alberta Library
Year: 2022

Metabolomics, as an interdisciplinary research area, requires the integration of knowledge from different disciplines, such as analytical chemistry, bioinformatics, and statistics. The general workflow of metabolome analysis includes sample preparation, data acquisition, data processing, data analysis, and metabolite identification. The improvement on any step listed above can affect the outcome in metabolomics studies. In the experimental section, tremendous efforts have been made to expand the metabolome coverage and produce high-quality data. The bottleneck gradually shifts to the section of data interpretation, such as metabolite identification, especially for unknown compounds, and appropriate methods used in data analysis.

In response to these challenges, my thesis research focuses on the improvement of the data interpretation section. In the first part, the coverage of the combination of multi-channel chemical isotope labeling (CIL) methods was evaluated (Chapter 2). Metabolite information from current metabolomics databases was extracted. Based on the functional groups, metabolites were further classified into four sub-metabolomes corresponding to four CIL channels, including amine/phenol channel, carboxylic channel, carbonyl channel, and hydroxyl channel. From the perspective of chemical functional groups or chemical space, near-complete metabolome coverage could be achieved using the integration of the four sub-metabolomes.

The second part targeted putative metabolite identification. Instead of building in-house libraries through data acquisition of metabolite standards, in silico prediction using existing data was employed. In Chapter 3, to refine the tripeptide identification via exact mass match only, the retention time (RT) of chemical isotope labeled tripeptides was predicted based on the RT of labeled dipeptides. In Chapter 4, MCID 2.0, an evidence-based metabolome library, was constructed using 76 biological reactions. To facilitate the identification of unknown metabolites, theoretical metabolites were predicted based on the metabolites from the KEGG compounds database.

Lastly, a biomarker discovery study on spinal cord injury was conducted using serum samples from human clinical trials, aiming to differentiate different severity grades and predict neurological conversion as well as motor function recovery. Issues of human samples, such as imbalanced sample size from different groups, wide age range, and male-biased sex ratios, were required to be solved before statistical analysis. Support vector machine models were built to discover potential biomarkers.
A-SFS: Semi-supervised Feature Selection based on Multi-task Self-supervision
Creators: name: Qiu, Zhifeng
name: Zeng, Wanxin
name: Liao, Dahua
name: Gui, Ning
Publisher: name: arXiv
Year: 2022
Subjects: subject: Machine Learning (cs.LG)
subject: Artificial Intelligence (cs.AI)
subject: FOS: Computer and information sciences

description: Feature selection is an important process in machine learning. It builds an interpretable and robust model by selecting the features that contribute the most to the prediction target. However, most mature feature selection algorithms, including supervised and semi-supervised, fail to fully exploit the complex potential structure between features. We believe that these structures are very important for the feature selection process, especially when labels are lacking and data is noisy. To this end, we innovatively introduce a deep learning-based self-supervised mechanism into feature selection problems, namely batch-Attention-based Self-supervision Feature Selection(A-SFS). Firstly, a multi-task self-supervised autoencoder is designed to uncover the hidden structure among features with the support of two pretext tasks. Guided by the integrated information from the multi-self-supervised learning model, a batch-attention mechanism is designed to generate feature weights according to batch-based feature selection patterns to alleviate the impacts introduced by a handful of noisy data. This method is compared to 14 major strong benchmarks, including LightGBM and XGBoost. Experimental results show that A-SFS achieves the highest accuracy in most datasets. Furthermore, this design significantly reduces the reliance on labels, with only 1/10 labeled data needed to achieve the same performance as those state of art baselines. Results show that A-SFS is also most robust to the noisy and missing data.
description: 18 pages, 7 figures, accepted by knowledge-based systems
Exploring the role of Elongation Factor-Like 1 (EFL1) in Shwachman-Diamond Syndrome through molecular dynamics
Creators: name: Delre, Pietro
name: Alberga, Domenico
name: Abril Gijsbers
name: Sánchez-Puig, Nuria
name: Nicolotti, Orazio
name: Saviano, Michele
name: Siliqi, Dritan
name: Mangiatordi, Giuseppe Felice
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Medicine
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Developmental Biology
subject: Cancer
subject: Hematology
subject: Computational Biology

description: Shwachman-Diamond Syndrome (SDS) is an autosomal recessive disorder whose patients present mutations in two ribosome assembly proteins, the Shwachman-Bodian-Diamond Syndrome protein (SBDS) and the Elongation Factor-Like 1 (EFL1). Due to the lack of knowledge of the molecular mechanisms responsible for SDS pathogenesis, current therapy is nonspecific and focuses only at alleviating the symptoms. Building on the recent observation that EFL1 single-point mutations clinically manifest as SDS-like phenotype, we carried out comparative Molecular Dynamics (MD) simulations on three mutants, T127A, M882K and R1095Q and wild type EFL1. As supported by small angle X-ray scattering experiments, the obtained data improve the static EFL1 model resulting from the Cryo-electron microscopy and clearly show that all the mutants experience a peculiar rotation, around the hinge region, of domain IV with respect to domains I and II leading to a different conformation respect to that of wild type protein. This study supports the notion that EFL1 function is governed by an allosteric mechanism involving the concerted action of GTPase domain (domain I) and the domain IV and can help point towards new approaches to SDS treatment.