cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Summary of MOVING Scottish Research
Creators: name: Thompson, Chloe
Publisher: name: Zenodo
Year: 2024
Subjects: subject: value chain
subject: Speyside Malt Whisky
subject: Sustainability
subject: Cairngorms
subject: Tourism
subject: FOS: Economics and business
subject: mountain
subject: environment
subject: Scotland
subject: territoriality

description: A summary of the research and findings from the Scottish case study of the MOVING project - the Speyside Malt Whisky Value Chain - and its contribution to resilience and sustainability of the Cairngorms mountain region.
Quantum effects in the cooperative scattering of light by atomic clouds
Creators: name: Pucci, Lorenzo
name: Roy, Analabha
name: Santo, Tiago Santiago do Espirito
name: Kaiser, Robin
name: Kastner, Michael
name: Bachelard, Romain
Publisher: name: arXiv
Year: 2017
Subjects: subject: Optics (physics.optics)
subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: Scattering of classical light by atomic clouds induces photon-mediated effective long-range interactions between the atoms and leads to cooperative effects even at low atomic densities. We introduce a novel simulation technique that allows us to investigate the quantum regime of the dynamics of large clouds of atoms. We show that the fluorescence spectrum of the cloud can be used to probe genuine quantum cooperative effects. Signatures of these effects are the occurrence, and the scaling behavior, of additional sidebands at twice the frequency of the classical Mollow sidebands, as well as an asymmetry of the Mollow triplet.
Exact zero modes in twisted Kitaev chains
Creators: name: Kawabata, Kohei
name: Kobayashi, Ryohei
name: Wu, Ning
name: Katsura, Hosho
Publisher: name: arXiv
Year: 2017
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: Superconductivity (cond-mat.supr-con)
subject: Mathematical Physics (math-ph)
subject: FOS: Physical sciences

description: We study the Kitaev chain under generalized twisted boundary conditions, for which both the amplitudes and the phases of the boundary couplings can be tuned at will. We explicitly show the presence of exact zero modes for large chains belonging to the topological phase in the most general case, in spite of the absence of "edges" in the system. For specific values of the phase parameters, we rigorously obtain the condition for the presence of the exact zero modes in finite chains, and show that the zero modes obtained are indeed localized. The full spectrum of the twisted chains with zero chemical potential is analytically presented. Finally, we demonstrate the persistence of zero modes (level crossing) even in the presence of disorder or interactions.
description: 15 pages, 7 figures
Egyptian Ratscrew: Discovering Dominant Strategies with Computational Game Theory
Creators: name: Diamond, Justin
name: Garcia, Ben
Publisher: name: figshare
Year: 2022
Subjects: Modelling and simulation
Mathematical economics
Strategy
Computational statistics

description: “Egyptian Ratscrew” (ERS) is a modern American card game enjoyed by millions of players worldwide. A game of ERS is won by collecting all of the cards in the deck. Typically this game is won by the player with the fastest reflexes, since the most common strategy for collecting cards is being the first to slap the pile in the center whenever legal combinations of cards are placed down. Most players assume that the dominant strategy is to develop a faster reaction time than your opponents. Despite the fact that Egyptian Ratscrew has enjoyed decades of popularity, no academic inquiry has been levied against this assumption. This thesis investigates the hypothesis that a “risk slapping” strategist who relies on practical economic decision making will win an overwhelming majority of games against players who rely on quick reflexes alone. It is theorized that this can be done by exploiting the “burn rule,” a penalty that is too low-cost to effectively dissuade players from slapping illegally when it benefits them. Using the Ruby programming language, we construct an Egyptian Ratscrew simulator from scratch. Our modeling allows us to simulate the behavior of 8 strategically unique players within easily adjustable parameters including simulation type, player count, and burn amount. We simulate 100k iterations of 67 different Egyptian Ratscrew games, totaling 6.7 million games of ERS, and use win percentage data in order to determine which strategies are dominant under each set of parameters. We then confirm our hypothesis that risk slapping is a dominant strategy, discover that there is no strictly dominant approach to risk slapping, and elucidate a deeper understanding of different ERS mechanics such as the burn rule. Finally, we assess the implications of our findings and suggest potential improvements to the rules of the game. We also touch on the real-world applications of our research and make recommendations for the future of Egyptian Ratscrew modeling.
Analysis of the mass and width of the $Y(4274)$ as axialvector molecule-like state
Creators: name: Wang, Zhi-Gang
Publisher: name: arXiv
Year: 2016
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: In this article, we assign the $Y(4274)$ to be the color octet-octet type axialvector molecule-like state with $J^{PC}=1^{++}$ tentatively, and construct the color octet-octet type axialvector current to study its mass and width with the QCD sum rules in details. The predicted mass favors assigning the $Y(4274)$ to be the color octet-octet type molecule-like state, but the predicted width disfavors assigning the $Y(4274)$ to be the color octet-octet type molecule-like state strongly. The $Y(4274)$ may be the conventional charmonium state $χ_{c1}(\rm 3P)$, and it is important to observe the decay $Y(4274)\to J/ψω$ to diagnose the nature of the $Y(4274)$.
description: 16 pages, 4 figures. arXiv admin note: text overlap with arXiv:1607.00701
Additional file 1 of Exploring the impact of social influence on parents’ intention to use institutional childcare: a cross-sectional study
Creators: name: Yu, Bo
name: Zhang, Difan
name: Sun, Yin
name: Yao, Yuna
name: Li, Yingji
name: Hu, Huiling
Publisher: name: figshare
Year: 2025
Subjects: subject: Sociology
subject: FOS: Sociology
subject: Science Policy
subject: Mental Health

description: Supplementary Material 1.
A computational investigation of galactopyranoside esters as antimicrobial agents through antiviral, molecular docking, molecular dynamics, pharmacokinetics, and bioactivity prediction
Creators: name: Hosen, Mohammed A.
name: Bakri, Youness El
name: Rehman, Hafiz Muzzammel
name: Hashem, Heba E.
name: Saki, Morteza
name: Kawsar, Sarkar M. A.
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Cancer

description: One of the most common viral infections worldwide is the Human Papilloma Virus (HPV) which has been linked to cancer and other diseases in many countries. Monosaccharide esters are significant in the field of carbohydrate chemistry because they are efficient in the synthesis of pharmacologically active compounds. Therefore, the present study aimed to perform thermodynamic, molecular docking and molecular dynamics study of a series of previously designed monosaccharaides, methyl β-d-galactopyranoside (MGP, 1) esters (2–10) with along with their physicochemical and pharmacokinetic properties. We have optimized the MGP esters employing the DFT study at the B3LYP/6-311 + G (d,p) level of theory. The subsequent analysis also investigated the electronic energies, enthalpies, entropies, polarizability, and natural bond orbital (NBO) of these modified esters. Then, MGP esters were docked into CTX-M-15 extended-spectrum beta-lactamase from Escherichia coli (PDB: 4HBT) and E2 DNA-binding domain from human papillomavirus type 31 (PDB: 1A7G), and the results revealed that most of the esters can efficiently bind to the target. Desmond was used to doing molecular dynamics simulations at 200 ns in addition to molecular docking to look at the binding conformational stability of the protein–ligand complex. Based on RMSD and RMSF, it was determined that the stability of the protein-ligand combination was maintained during the whole 200 ns simulations for all compounds. Finally, a pharmacokinetic study suggests that modified esters of MGP exhibited better pharmacokinetic characteristics and were less hazardous than the parent drug. This work demonstrated that potential MGP esters can efficiently bind to 4HBT and 1A7G proteins and opened avenues for the development of newer antimicrobial agents that can target dangerous pathogens. Communicated by Ramaswamy H. Sarma
Highly-Oriented Atomically Thin Ambipolar MoSe$_2$ Grown by Molecular Beam Epitaxy
Creators: name: Chen, Ming-Wei
name: Ovchinnikov, Dmitry
name: Lazar, Sorin
name: Pizzochero, Michele
name: Whitwick, Michael Brian
name: Surrente, Alessandro
name: Baranowski, Michał
name: Sanchez, Oriol Lopez
name: Gillet, Philippe
name: Plochocka, Paulina
name: Yazyev, Oleg V.
name: Kis, Andras
Publisher: name: arXiv
Year: 2017
Subjects: subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: Transition metal dichalcogenides (TMDCs), together with other two-dimensional (2D) materials have attracted great interest due to the unique optical and electrical properties of atomically thin layers. In order to fulfill their potential, developing large-area growth and understanding the properties of TMDCs have become crucial. Here, we used molecular beam epitaxy (MBE) to grow atomically thin MoSe$_2$ on GaAs(111)B. No intermediate compounds were detected at the interface of as-grown films. Careful optimization of the growth temperature can result in the growth of highly aligned films with only two possible crystalline orientations due to broken inversion symmetry. As-grown films can be transferred onto insulating substrates allowing their optical and electrical properties to be probed. By using polymer electrolyte gating, we have achieved ambipolar transport in MBE-grown MoSe$_2$. The temperature-dependent transport characteristics can be explained by the 2D variable-range hopping (2D-VRH) model, indicating that the transport is strongly limited by the disorder in the film.
Quantum search on the two-dimensional lattice using the staggered model with Hamiltonians
Creators: name: Portugal, Renato
name: Fernandes, Tharso D.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: Quantum search on the two-dimensional lattice with one marked vertex and cyclic boundary conditions is an important problem in the context of quantum algorithms with an interesting unfolding. It avails to test the ability of quantum walk models to provide efficient algorithms from the theoretical side and means to implement quantum walks in laboratories from the practical side. In this paper, we rigorously prove that the recent-proposed staggered quantum walk model provides an efficient quantum search on the two-dimensional lattice, if the reflection operators associated with the graph tessellations are used as Hamiltonians, which is an important theoretical result for validating the staggered model with Hamiltonians. Numerical results show that on the two-dimensional lattice staggered models without Hamiltonians are not as efficient as the one described in this paper and are, in fact, as slow as classical random-walk-based algorithms.
description: 8 pages, 2 figures
Scanning the Earth with solar neutrinos and DUNE
Creators: name: Ioannisian, Ara
name: Smirnov, Alexei Yu.
name: Wyler, Daniel
Publisher: name: arXiv
Year: 2017
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: We explore oscillations of the solar $^8$B neutrinos in the Earth in detail. The relative excess of night $ν_e$ events (the Night-Day asymmetry) is computed as function of the neutrino energy and the nadir angle $η$ of its trajectory. The finite energy resolution of the detector causes an important attenuation effect, while the layer-like structure of the Earth density leads to an interesting parametric suppression of the oscillations. Different features of the $η-$ dependence encode information about the structure (such as density jumps) of the Earth density profile; thus measuring the $η$ distribution allows the scanning of the interior of the Earth. We estimate the sensitivity of the DUNE experiment to such measurements. About 75 neutrino events are expected per day in 40 kt. For high values of $Δm^2_{21}$ and $E_ν> $11 MeV, the corresponding D-N asymmetry is about 4\% and can be measured with $15\%$ accuracy after 5 years of data taking. The difference of the D-N asymmetry between high and low values of $Δm^2_{21}$ can be measured at the $4σ$ level. The relative excess of the $ν_e$ signal varies with the nadir angle up to 50\%. DUNE may establish the existence of the dip in the $η-$ distribution at the $(2 - 3) σ$ level.
description: The formalism of neutrino oscillations in the Earth is further elaborated, Fig. 5 substituted, references added, typos corrected
Structure-based virtual screening and molecular dynamics simulations for detecting novel candidates for allosteric inhibition of EGFRT790M
Creators: name: Çoban, Güneş
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Inorganic Chemistry
subject: FOS: Chemical sciences

description: Structure-based virtual screening (SBVS) was applied to predict lead compounds for the allosteric inhibition of epidermal growth factor receptor (EGFR) by screening the library of chemical compounds prepared from the e-molecules chemical database. The library of chemical compounds consisting of 133,083 ligands was composed by evaluating the chemical and physical properties of e-molecules chemicals. The prepared library was screened by CCDC Gold software in the allosteric binding site of EGFRT790M using the library and virtual screening default parameters to filter out, respectively. The GOLD fitness scores 75 and 80 were selected as threshold values for the library and virtual screening processes, respectively. After the docking study, molecular dynamics simulations (MDS) of the top 25 compounds were built for calculating binding free energies from their MDS trajectories. MM-GBSA binding free energies for the compounds were computed from 20 ns MDS, 50 ns MDS and 200 ns MDS trajectories to filter out the candidates. Following MM-GBSA/MM-PBSA binding free energy calculations, six compounds were detected as the most promising candidates for allosteric inhibition of EGFRT790M. The dynamic behaviors of final compounds inside EGFR T790M were searched using structure stability, binding modes and energy decomposition analysis. Besides, the estimated inhibitors were exposed to docking study and MM-GBSA/MM-PBSA binding free energy calculations inside wild-type EGFR, respectively, to be determined their selectivity towards mutant form. Five of the estimated inhibitors displayed estimated selectivity towards EGFRT790M. Besides the ADMET properties of the estimated inhibitors were predicted by PreAdmet tools. Communicated by Ramaswamy H. Sarma
The role of Cerenkov radiation in the pressure balance of cool core clusters of galaxies
Creators: name: Lieu, Richard
Publisher: name: arXiv
Year: 2016
Subjects: subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: FOS: Physical sciences

description: Despite the substantial progress made recently in understanding the role of AGN feedback and associated non-thermal effects, the precise mechanism that prevents the core of some clusters of galaxies from collapsing catastrophically by radiative cooling remains unidentified. In this paper we demonstrate that the evolution of a cluster's cooling core, in terms of its density, temperature, and magnetic field strength, inevitably enables the plasma electrons there to quickly become Cerenkov loss dominated, with emission at the radio frequency of $\lesssim$ 350 Hz, and with a rate considerably exceeding free-free continuum and line emission. However, the same does not apply to the plasmas at the cluster's outskirts, which lacks such radiation. Owing to its low frequency, the radiation cannot escape, but because over the relevant scale size of a Cerenkov wavelength the energy of an electron in the gas cannot follow the Boltzmann distribution to the requisite precision to ensure reabsorption always occurs slower than stimulated emission, the emitting gas cools before it reheats. This leaves behind the radiation itself, trapped by the overlying reflective plasma, yet providing enough pressure to maintain quasi-hydrostatic equilibrium. The mass condensation then happens by Rayleigh-Taylor instability, at a rate determined by the outermost radius where Cerenkov radiation can occur. In this way, it is possible to estimate the rate at $\ap 2 M_\odot$~year$^{-1}$, consistent with observational inference. Thus the process appears to provide a natural solution to the long standing problem of `cooling flow' in clusters; at least it offers another line of defense against cooling and collapse, should gas heating by AGN feedback be inadequate in some clusters
description: 10 pages, 1 figure. ApJL in press
Prediction of SYMH and ASYH indices for geomagnetic storms of solar cycle 24 including recent St. Patrick's day, 2015 storm using NARX neural network
Creators: name: Bhaskar, Ankush
name: Vichare, Geeta
Publisher: name: arXiv
Year: 2017
Subjects: subject: Space Physics (physics.space-ph)
subject: FOS: Physical sciences
subject: F.1.1
subject: 00-XX

description: Artificial Neural Network (ANN) has proven to be very successful in forecasting variety of irregular magnetospheric/ionospheric processes like geomagnetic storms and substorms. SYMH and ASYH indices represent longitudinal symmetric and asymmetric component of the ring current. Here, an attempt is made to develop a prediction model for these indices using ANN. The ring current state depends on its past conditions therefore, it is necessary to consider its history for prediction. To account this effect Nonlinear Autoregressive Network with eXogenous inputs (NARX) is implemented. This network considers input history of 30 minutes and output feedback of 120 minutes. Solar wind parameters mainly velocity, density and interplanetary magnetic field are used as inputs. SYMH and ASYH indices during geomagnetic storms of 1998-2013, having minimum SYMH
description: 35 pages, 8 figuers, 2 tables
Connected and Disconnected Contractions in Pion-Pion Scattering
Creators: name: Acharya, Neramballi Ripunjay
name: Guo, Feng-Kun
name: Meißner, Ulf-G.
name: Seng, Chien-Yeah
Publisher: name: arXiv
Year: 2017
Subjects: subject: High Energy Physics - Lattice (hep-lat)
subject: High Energy Physics - Phenomenology (hep-ph)
subject: Nuclear Theory (nucl-th)
subject: FOS: Physical sciences

description: We show that the interplay of chiral effective field theory and lattice QCD can be used in the evaluation of so-called disconnected diagrams, which appear in the study of the isoscalar and isovector channels of pion-pion scattering and have long been a major challenge for the lattice community. By means of partially-quenched chiral perturbation theory, we distinguish and analyze the effects from different types of contraction diagrams to the pion-pion scattering amplitude, including its scattering lengths and the energy-dependence of its imaginary part. Our results may be used to test the current degree of accuracy of lattice calculation in the handling of disconnected diagrams, as well as to set criteria for the future improvement of relevant lattice computational techniques that may play a critical role in the study of other interesting QCD matrix elements.
description: 18 pages, 3 figures, 3 tables
Injection, Extraction and Matching
Creators: name: Ferrario, M.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Accelerator Physics (physics.acc-ph)
subject: FOS: Physical sciences

description: In this lecture we introduce from basic principles the main concepts of beam focusing and transport in modern accelerators using the beam envelope equationas a convenient mathematical tool. Matching conditions suitable for preserving beam quality are derived from the model for significant beam dynamics regimes. An extension of the model to the case of plasma accelerators is introduced. The understanding of similarities and differences with respect to traditionalaccelerators is also emphasized.
description: 21 pages, contribution to the CAS - CERN Accelerator School: Plasma Wake Acceleration, CERN, Geneva, Switzerland, 23 - 29 Nov 2014
Modelling of AgrA inhibitors to combat anti-microbial resistance in Staphylococcus aureus
Creators: name: Joy, Amitha
name: V., Febin Seethi
name: Cyriac, Marria C.
name: Habeeb, Jasmin
name: Sudhakaran, Sunisha
name: Shah, Shaheen
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences

description: Staphylococcus aureus is a Gram-positive bacterium found on human skin that causes skin and soft tissue infections, as well as pneumonia, osteomyelitis, and endocarditis. The prevalence of antibiotic resistant strains has made the treatments less effective. An efficient alternate method for battling these contagious diseases is anti-virulence strategy. The AgrA protein, a key activator of Accessory Gene Regulator system in S. aureus, is vital to the virulence of the organism and, consequently, its pathogenesis. Using a Machine Learning algorithm, the Support Vector Machine (SVM), and a ligand-based pharmacophore modelling method, prediction models of AgrA inhibitors were developed. The metrics of the SVM model were inadequate, hence it was not used for virtual screening. For ligand-based pharmacophore modelling, 14 of 29 compounds were removed from the active set due to a lack of shared pharmacophore properties, and 504 compounds were designated as decoys. A 3D pharmacophore model was created using LigandScout 4.4.5, with a fit score of 57.48, including a positive ionizable group, one hydrogen bond donor, and three hydrogen bond acceptors. The model after further validation was used to virtually screen an external database which resulted in six hits. These compounds were docked with the AgrA domain crystal structure to determine the inhibitor activity. Further, each docked complex was subjected to a 100 ns molecular dynamics simulation. CID238 and CID20510252 demonstrated potent inhibitory binding interactions and hence can be used to develop AgrA inhibitors in future after proper validation. Communicated by Ramaswamy H. Sarma
Opportunities and challenges of using a health information system in adolescent health management: A qualitative study of healthcare providers’ perspectives in the West Bank, occupied Palestinian territory
Creators: name: Shalash, Aisha
name: Abu Rmeileh, Niveen
name: Kelly, Dervla
name: Elmusharaf, Khalifa
Publisher: name: University of Limerick
Year: 2024
Subjects: classificationCode: 42
subject: Health sciences
subject: FOS: Health sciences

description: Adolescents are a critical demographic facing unique health challenges who are further impacted in humanitarian settings. This article focuses on the urgent need for a structured health information system (HIS) to address the gaps in data availability and evidence-based interventions for adolescent health. The study aims to identify opportunities and challenges in utilizing the HIS to enhance adolescent health in the West Bank by gathering insights from healthcare providers. Methods Semi-structured key informant interviews were conducted with participants involved in the HIS regarding adolescent health in the West Bank. They were selected by purposive sampling. Nineteen interviews were conducted between July and October 2022, and thematic analysis was carried out using MAXQDA software. Results The opportunities identified were the small-scale victories the participants described in building the HIS for adolescent health. These included institutional and individual capacity building, digitalizing parts of the HIS, connection fragmentation of adolescent health activities, multi-sectoral collaboration, reorienting services based on health information, working with limited resources, enhancing community engagement to encourage ownership and active participation, and taking strategic actions for adolescents for information. The challenges were the high workload of staff, lack of health information specialists, limited resources, lack of a unified system in data collection, lack of data on essential indicators, data quality, data sharing, and data sources and use. Conclusion This study showed the potential of the HIS with capacity building, digitization, and collaborative initiatives; it also suffers from issues like staff shortages, non-standardized data collection, and insufficient data for essential indicators. To maximize the impact of the HIS, urgent attention to staff shortages through comprehensive training programs, standardization of data collection systems, and development of a unified core indicator list for adolescent health is recommended. Embracing these measures will allow the HIS to provide evidence-based adolescent health programs, even in resource-constrained and complex humanitarian settings.
KZ-Calogero correspondence revisited
Creators: name: Zabrodin, A.
name: Zotov, A.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Mathematical Physics (math-ph)
subject: High Energy Physics - Theory (hep-th)
subject: Exactly Solvable and Integrable Systems (nlin.SI)
subject: FOS: Physical sciences

description: We discuss the correspondence between the Knizhnik-Zamolodchikov equations associated with $GL(N)$ and the $n$-particle quantum Calogero model in the case when $n$ is not necessarily equal to $N$. This can be viewed as a natural "quantization" of the quantum-classical correspondence between quantum Gaudin and classical Calogero models.
description: 13 pages, minor corrections
Exploration of human pancreatic alpha-amylase inhibitors from Physalis peruviana for the treatment of type 2 diabetes
Creators: name: Tiwari, Virendra Prasad
name: Dubey, Amit
name: Al-Shehri, Mohammed
name: Tripathi, Indra Prasad
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Biochemistry
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer

description: Type 2 Diabetes (T2D), a chronic metabolic disorder characterized by persistent hyperglycemia, accounts for ∼90% of all types of diabetes. Pancreatic α-amylase is a potential drug target for preventing postprandial hyperglycemia and inhibiting T2D in humans. Although many synthetic drugs have been identified against pancreatic α-amylase, however, reported several side effects, and plant-derived natural products are less explored against T2D. This study tested 34 flavonoids derived from the plant Physalis peruviana against the human pancreatic α-amylase (HPA) using in silico computational approaches such as molecular docking and molecular dynamics simulation approaches. Schrödinger, a drug discovery package with modules applicable for molecular docking, protein-ligand interaction analysis, molecular dynamics, post-dynamics simulation, and binding free energy calculation, was employed for all computational studies. Four flavonoids, namely, Chlorogenic acid, Withaperuvin F, Withaperuvin H, and Rutin, were picked based on their docking score ranging between −7.03 kcal/mol and −11.35 kcal/mol compared to the docking score −7.3 kcal/mol of reference ligand, i.e. Myricetin. The molecular dynamics analysis suggested that all flavonoids showed considerable stability within the protein’s catalytic pocket, except chlorogenic acid, which showed high deviation during the last 15 ns. However, the interactions observed in initial docking and extracted from the simulation trajectory involved > 90% identical residues, indicating the affinity and stability of the docked flavonoids with the protein. Therefore, all four compounds identified in this study are proposed as promising antidiabetic candidates and should be further considered for their in vitro and in vivo validation. Communicated by Ramaswamy H. Sarma
The effects of bilingual experience on the development of executive function in early childhood
Creators: name: Ma, Youchuan
Publisher: name: University of Chicago
Year: 2022
Subjects: subject: bilingual
subject: executive function
subject: development
subject: children
subject: cognitive flexibility
subject: inhibitory control
subject: working memory

description: Bilingual children have been shown to have superior executive function relative to monolingual children. Less is known, however, about how bilingual experience shapes the development of executive function during early childhood. This study analyzed a nationally representative sample of 18,174 children who were followed from kindergarten to fifth grade as part of the Early Childhood Longitudinal Study, Kindergarten Class of 2010–2011. The present study modeled the growth trajectories of three executive function skills: cognitive flexibility, inhibitory control, and working memory. Four language groups that differ in their bilingual experience were included: English monolinguals, Asian language English bilinguals, Spanish English bilinguals, and emergent Spanish English bilinguals. The results of multilevel and multiple regression analyses suggest that bilingual experience is associated with the enhancement of certain components of executive function during early childhood. In particular, being bilingual is associated with enhanced working memory but not cognitive flexibility or inhibitory control. Moreover, the age of second language acquisition and the degree of overlap between the linguistic systems of bilinguals’ two languages do not seem to moderate the effects of bilingual experience on the growth of working memory in early childhood. These findings advance our understanding of both the specificity and generalizability of the effects of bilingual experience on the development of executive function skills during early childhood.
All deliverable reports of POSPORI project - 14 in total
Creators: name: Pospori, Andreas
Publisher: name: Zenodo
Year: 2023
Subjects: deliverables
POSPORI project

description: Deliverable Number Title D1.1 EPQ - Requirement No. 1 D2.1 Data Management Plan D3.1 Project Management Plan D3.2 Progress Report (M6) D3.3 Progress Report (M12) D3.4 Progress Report (M18) D3.5 Final Report D4.1 Online dissemination D4.2 Final commercialisation plan D5.1 POFBG sensors for UCY D5.2 POFBG sensors for UA D5.3 POFBG sensors for TA D6.1 Evaluation Report D7.1 Final Evaluation Report Deliverable Number Description D1.1 Copies of authorisations for relevant facilities (e.g., security classification of laboratory) must be kept on file. The host organisation must demonstrate that appropriate health and safety procedures conforming to relevant local/national guidelines/legislation are followed for staff involved in this project. D2.1 The Data Management Plan describes the data management life cycle for all data sets that will be collected, processed or generated by the action. It is a document describing what data will be collected, processed or generated and following what methodology and standards, whether and how this data will be shared and/or made open, and how it will be curated and preserved. D3.1 Standardized procedures for internal and external communication, reporting and dissemination activities. Risk contingency plan should be also drafted to identify and confront potential risks during the project. D3.2 First project progress reporting to evaluate the performance of project. D3.3 Second project progress reporting to evaluate the performance of project. D3.4 Third project progress reporting to evaluate the performance of project. D3.5 Final report to summarise the project activities, achievements and outcomes. D4.1 Creation of website, Facebook page, and LinkedIn group D4.2 Plan for future exploitation of these project results will be drafted D5.1 The sensors will be provided to WP6 for testing in intended environment with UCY. D5.2 The sensors will be provided to WP6 for testing in intended environment with UP. D5.3 The sensors will be provided to WP7 for testing in operational environment with TA. D6.1 Detailed report by the end of the work package for performance evaluation and improvement recommendations. D7.1 Detailed report by the end of the work package for performance evaluation and improvement recommendations. All deliverables will be kept confidential until further notice. 
Flow dominance and factorization of transverse momentum correlations in Pb-Pb collisions at the LHC
Creators: name: ALICE Collaboration
Publisher: name: arXiv
Year: 2017
Subjects: subject: Nuclear Experiment (nucl-ex)
subject: High Energy Physics - Experiment (hep-ex)
subject: FOS: Physical sciences

description: We present the first measurement of the two-particle transverse momentum differential correlation function, $P_2\equiv\langle Δp_{\rm T} Δp_{\rm T} \rangle /\langle p_{\rm T} \rangle^2$, in Pb-Pb collisions at $\sqrt{s_{_{\rm NN}}} =$ 2.76 TeV. Results for $P_2$ are reported as a function of relative pseudorapidity ($Δη$) and azimuthal angle ($Δφ$) between two particles for different collision centralities. The $Δϕ$ dependence is found to be largely independent of $Δη$ for $|Δη| \geq$ 0.9. In 5% most central Pb-Pb collisions, the two-particle transverse momentum correlation function exhibits a clear double-hump structure around $Δφ= π$ (i.e., on the away side), which is not observed in number correlations in the same centrality range, and thus provides an indication of the dominance of triangular flow in this collision centrality. Fourier decompositions of $P_2$, studied as a function of collision centrality, show that correlations at $|Δη| \geq$ 0.9 can be well reproduced by a flow ansatz based on the notion that measured momentum correlations are strictly determined by the collective motion of the system.
description: 16 pages, 3 captioned figures, authors from page 11, published version, figures at http://aliceinfo.cern.ch/ArtSubmission/node/3420
Laser-driven Plasma Wakefield: Propagation Effects
Creators: name: Cros, B.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Accelerator Physics (physics.acc-ph)
subject: Plasma Physics (physics.plasm-ph)
subject: FOS: Physical sciences

description: In the frame of laser-driven wakefield acceleration, the main characteristics oflaser propagation and plasma wave excitation are described, with an emphasis onthe role of propagation distance for electron acceleration. To optimizeinteraction length and maximize energy gain, operation at low plasma density isthe most promising regime for achieving ultra-relativistic energies. Among thepossible methods of extending propagation length at low plasma density, laserguiding by grazing incidence reflection at the wall of dielectric capillarytubes has several assets. The properties of laser guiding and the measurement ofplasma waves over long distances are presented.
description: 24 pages, contribution to the CAS - CERN Accelerator School: Plasma Wake Acceleration, CERN, Geneva, Switzerland, 23 - 29 Nov 2014
Identifying diseases associated with Post-COVID syndrome through an integrated network biology approach
Creators: name: Krishna, Navami
name: P., Sijina K.
name: K., Rajanikant G.
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Cancer

description: A growing body of research shows that COVID-19 is now recognized as a multi-organ disease with a wide range of manifestations that can have long-lasting repercussions, referred to as post-COVID-19 syndrome. It is unknown why the vast majority of COVID-19 patients develop post-COVID-19 syndrome, or why patients with pre-existing disorders are more likely to experience severe COVID-19. This study used an integrated network biology approach to obtain a comprehensive understanding of the relationship between COVID-19 and other disorders. The approach involved building a PPI network with COVID-19 genes and identifying highly interconnected regions. The molecular information contained within these subnetworks, as well as the pathway annotations, were used to reveal the link between COVID-19 and other disorders. Using Fisher’s exact test and disease-specific gene information, significant COVID-19-disease associations were discovered. The study discovered diseases that affect multiple organs and organ systems, thus proving the theory of multiple organ damage caused by COVID-19. Cancers, neurological disorders, hepatic diseases, cardiac disorders, pulmonary diseases, and hypertensive diseases are just a few of the conditions linked to COVID-19. Pathway enrichment analysis of shared proteins revealed the shared molecular mechanism of COVID-19 and these diseases. The findings of the study shed new light on the major COVID-19-associated disease conditions and how their molecular mechanisms interact with COVID-19. The novelty of studying disease associations in the context of COVID-19 provides new insights into the management of rapidly evolving long-COVID and post-COVID syndromes, which have significant global implications. Communicated by Ramaswamy H. Sarma
A left and right truncated Schechter luminosity function for quasars
Creators: name: Zaninetti, L.
Publisher: name: arXiv
Year: 2017
Subjects: subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: Astrophysics of Galaxies (astro-ph.GA)
subject: FOS: Physical sciences

description: The luminosity function for quasars (QSOs) is usually fitted by a Schechter function. The dependence of the number of quasars on the redshift, both in the low and high luminosity regions, requires the inclusion of a lower and upper boundary in the Schechter function. The normalization of the truncated Schechter function is forced to be the same as that for the Schechter function, and an analytical form for the average value is derived. Three astrophysical applications for QSOs are provided: deduction of the parameters at low redshifts, behavior of the average absolute magnitude at high redshifts, and the location (in redshift) of the photometric maximum as a function of the selected apparent magnitude. The truncated Schechter function with the double power law and an improved Schechter function are compared as luminosity functions for QSOs. The chosen cosmological framework is that of the flat cosmology, for which we provided the luminosity distance, the inverse relation for the luminosity distance, and the distance modulus.
description: 18 pages and 10 figures
Test of Weak Equivalence Principle with the multi-band timing of the Crab Pulsar
Creators: name: Zhang, Yueyang
name: Gong, Biping
Publisher: name: arXiv
Year: 2016
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: FOS: Physical sciences

description: Weak Equivalent Principle (WEP) can be tested through the parameterized post-Newtonian parameter $γ$, representing the space curvature produced by unit rest mass. The parameter $γ$ in turn has been constrained by comparing the arrival times of photons originating in distant transient events, such as gamma-ray bursts, fast radio bursts as well as giant pulses of pulsars. Those measurements normally correspond to an individual burst event with very limited energy bands and signal-to-noise ratio (S/N). In this letter, the discrepancy in the pulse arrival times of the Crab Pulsar between different energy bands is obtained by the phase difference between corresponding pulse profiles. This allows us to compare the pulse arrival times at the largest energy band differences, between radio and optical, radio and X-ray, radio and gamma-ray respectively. As the pulse profiles are generated by phase-folding thousands of individual pulses, the time discrepancies between two energy bands are actually measured from thousands of events at each energy band, which corresponds to much higher S/N. The upper limit of the $γ$ discrepancy set by such an extensively-observed and well-modeled source is as follows: $γ_{radio}-γ_{γ-ray}<3.28\times10^{-9}$ at the energy difference of $E_{γ-ray}/E_{radio}\sim10^{13}$, $γ_{radio}-γ_{X-ray}<4.01\times10^{-9}$ at the energy difference of $E_{X-ray}/E_{radio}\sim10^{9}$, $γ_{radio}-γ_{optical}<2.63\times10^{-9}$ at $E_{optical}/E_{radio}\sim10^{5}$, and $γ_{optical}-γ_{γ-ray}<3.03\times10^{-10}$ at $E_{γ-ray}/E_{optical}\sim10^8$. This actually measures the arrival times of freely-falling photons in the gravitational field of the Milky Way with the largest amount of events and with data of the highest S/N, which tests WEP at the energy band differences that has never been reached before.
description: 5 pages. Accepted for publication in ApJ
title: Online Gods – a Podcast about Digital Cultures in India and Beyond
title: Episode 2: Media as Religion and Round Table India/Dalit Online Media
titleType: Subtitle
Creators: name: Udupa, Sahana
name: Ian M., Cook
Publisher: name: LMU Munich, Institute of Social and Cultural Anthropology, Digital Dignity Research Group
Year: 2017

description: In this episode we speak to Angela Zito about Media as Religion and Kuffir Nalgundwar about Round Table India & Dalit Online Media
On the putative essential discreteness of q-generalized entropies
Creators: name: Plastino, A.
name: Rocca, M. C.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: Mathematical Physics (math-ph)
subject: Classical Physics (physics.class-ph)
subject: FOS: Physical sciences

description: It has been argued in [EPL {\bf 90} (2010) 50004], entitled {\it Essential discreteness in generalized thermostatistics with non-logarithmic entropy}, that "continuous Hamiltonian systems with long-range interactions and the so-called q-Gaussian momentum distributions are seen to be outside the scope of non-extensive statistical mechanics". The arguments are clever and appealing. We show here that, however, some mathematical subtleties render them unconvincing
description: 9 pages. No figures
Carbazole derivatives as promising competitive and allosteric inhibitors of human serotonin transporter: computational pharmacology
Creators: name: Ayipo, Yusuf Oloruntoyin
name: Ahmad, Iqrar
name: Chong, Chien Fung
name: Zainurin, Nurul Amira
name: Najib, Sani Yahaya
name: Patel, Harun
name: Mordi, Mohd Nizam
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Genetics
subject: FOS: Biological sciences
subject: Neuroscience
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Mental Health
subject: Hematology

description: The human serotonin transporters (hSERTs) are neurotransmitter sodium symporters of the aminergic G protein-coupled receptors, regulating the synaptic serotonin and neuropharmacological processes related to neuropsychiatric disorders, notably, depression. Selective serotonin reuptake inhibitors (SSRIs) such as fluoxetine and (S)-citalopram are competitive inhibitors of hSERTs and are commonly the first-line medications for major depressive disorder (MDD). However, treatment-resistance and unpleasant aftereffects constitute their clinical drawbacks. Interestingly, vilazodone emerged with polypharmacological (competitive and allosteric) inhibitions on hSERTs, amenable to improved efficacy. However, its application usually warrants adjuvant/combination therapy, another subject of critical adverse events. Thus, the discovery of alternatives with polypharmacological potentials (one-drug-multiple-target) and improved safety remains essential. In this study, carbazole analogues from chemical libraries were explored using docking and molecular dynamics (MD) simulation. Selectively, two IBScreen ligands, STOCK3S-30866 and STOCK1N-37454 predictively bound to the active pockets and expanded boundaries (extracellular vestibules) of the hSERTs more potently than vilazodone and (S)-citalopram. For instance, the two ligands showed docking scores of −9.52 and −9.59 kcal/mol and MM-GBSA scores of −92.96 and −65.66 kcal/mol respectively compared to vilazodone’s respective scores of −7.828 and −59.27 against the central active site of the hSERT (PDB 7LWD). Similarly, the two ligands also docked to the allosteric pocket (PDB 5I73) with scores of −8.15 and −8.40 kcal/mol and MM-GBSA of −96.14 and −68.46 kcal/mol whereas (S)-citalopram has −6.90 and −69.39 kcal/mol respectively. The ligands also conferred conformational stability on the receptors during 100 ns MD simulations and displayed interesting ADMET profiles, representing promising hSERT modulators for MDD upon experimental validation. Communicated by Ramaswamy H. Sarma
Additional file 3 of Transcriptomic analysis of Rhipicephalus microplus hemocytes from female ticks infected with Babesia bovis or Babesia bigemina
Creators: name: Vimonish, Rubikah
name: Capelli-Peixoto, Janaina
name: Johnson, Wendell
name: Kappmeyer, Lowell
name: Saelao, Perot
name: Taus, Naomi
name: Chung, Chungwon
name: Ueti, Massaro
Publisher: name: figshare
Year: 2025
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional File 3: Differentially regulated protein coding genes positioned in R. microplus chromosomes
Optimizing the Aldosterone-to-Renin Ratio Cut-off for Screening Primary Aldosteronism Based on Cardiovascular Risk: A Collaborative Study-Supplemental materials
Creators: name: He, Chunxue
name: Li, Ruolin
name: Yang, Jun
name: Shen, Hang
name: wang, yue
name: Chen, Xiangjun
name: Luo, Wenjin
name: Zeng, Qinglian
name: Ma, Linqiang
name: Song, Ying
name: Cheng, Qingfeng
name: Wang, Zhihong
name: Wu, Feifei
name: Yang, Shumin
name: Li, Qifu
name: Hu, Jinbo
Publisher: name: figshare
Year: 2023
Subjects: Endocrinology

description: The supplemental data of the manuscript: Optimizing the Aldosterone-to-Renin Ratio Cut-off for Screening Primary Aldosteronism Based on Cardiovascular Risk: A Collaborative Study
title: Online Gods – a Podcast about Digital Cultures in India and Beyond
title: Episode 1: Big Data and the Ladies Finger
titleType: Subtitle
Creators: name: Udupa, Sahana
name: Cook, Ian M.
Publisher: name: LMU Munich, Institute of Social and Cultural Anthropology, Digital Dignity Research Group
Year: 2017

description: In this episode we speak to Ralph Schroeder about Big Data and Nisha Susan about The Ladies Finger.