cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Investigating the inhibitory and penetrating properties of three novel anticancer and antimicrobial scorpion peptides via molecular docking and molecular dynamic simulation
Creators: name: Jahangirian, Ehsan
name: Zargan, Jamil
name: Rabbani, Hodjattallah
name: Zamani, Javad
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Space Science
subject: Biotechnology
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Cancer

description: The two types of bladder cancer, muscle invasive and non-muscle invasive (NMIBC), are among the most prevalent cancers worldwide. Despite this, even though muscle-invasive bladder cancer is more deadly, NMIBC requires more therapy due to a greater recurrence rate and more extended and expensive care. Immunotherapy, intravesical chemotherapy, cystoscopy, and transurethral resection (TUR) are among the treatments available. Crude scorpion venomand purified proteins and peptides, can suppress cancer metastasis in an in vitro or in vivo context, suppress cancer growth, halt the cell cycle, and cause cell apoptosis, according to an increasing number of experimental and preclinical studies. In this research, three novels discovered peptides (P2, P3 and P4. ProteomeXchange: PXD036231) from Buthotus saulcyi and, Odontobuthus doriae scorpions were used along with a peptide called pantinin (as a control). The phylogenetic tree showed that the peptides belong to Chaperonin HSP60, Chrysophsin2 and Pheromone-binding protein2, respectively. These peptides were docked with four known antigens, BAGE, BLCAP, PRAME and ROR1 related to bladder cancer and three bacterial antigens FliC, FliD and FimH to investigate their antimicrobial and anticancer properties. The results showed that peptides 2 and 3 have the best binding rate. The MD simulation results also confirmed the binding of peptides 2 and 3 to antigens. The penetration power of peptides 2 and 3 in the membrane of cancer cells and bacterial cells was also simulated, and the results of RMSD and PD confirmed it. QSAR suggests that peptides 2 and 3 can act as anti-cancer and anti-microbial peptides. Communicated by Ramaswamy H. Sarma
Relativistic Harmonic Oscillator Revisited
Creators: name: Bars, Itzhak
Publisher: name: arXiv
Year: 2008
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: Mathematical Physics (math-ph)
subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: The familiar Fock space commonly used to describe the relativistic harmonic oscillator, for example as part of string theory, is insufficient to describe all the states of the relativistic oscillator. We find that there are three different vacua leading to three disconnected Fock sectors, all constructed with the same creation-annihilation operators. These have different spacetime geometric properties as well as different algebraic symmetry properties or different quantum numbers. Two of these Fock spaces include negative norm ghosts (as in string theory) while the third one is completely free of ghosts. We discuss a gauge symmetry in a worldline theory approach that supplies appropriate constraints to remove all the ghosts from all Fock sectors of the single oscillator. The resulting ghost free quantum spectrum in d+1 dimensions is then classified in unitary representations of the Lorentz group SO(d,1). Moreover all states of the single oscillator put together make up a single infinite dimensional unitary representation of a hidden global symmetry SU(d,1), whose Casimir eigenvalues are computed. Possible applications of these new results in string theory and other areas of physics and mathematics are briefly mentioned.
description: 41 pages, 2 figures, LaTeX
Sharp Continuity Results for the Short-Time Fourier Transform and for Localization Operators
Creators: name: Cordero, Elena
name: Nicola, Fabio
Publisher: name: arXiv
Year: 2009
Subjects: subject: Analysis of PDEs (math.AP)
subject: FOS: Mathematics
subject: 35S05, 46E30

description: We completely characterize the boundedness on $L^p$ spaces and on Wiener amalgam spaces of the short-time Fourier transform (STFT) and of a special class of pseudodifferential operators, called localization operators. Precisely, a well-known STFT boundedness result on $L^p$ spaces is proved to be sharp. Then, sufficient conditions for the STFT to be bounded on the Wiener amalgam spaces $W(L^p,L^q)$ are given and their sharpness is shown. Localization operators are treated similarly. Using different techniques from those employed in the literature, we relax the known sufficient boundedness conditions for localization operators on $L^p$ spaces and prove the optimality of our results. More generally, we prove sufficient and necessary conditions for such operators to be bounded on Wiener amalgam spaces.
description: 26 pages
SIMULATION OF CHANGE IN RHEOLOGICAL PROPERTIES OFSTRUCTURE OF COMBINED MATERIALS IN TRIBOSYSTEMS
Creators: name: Voitov, Anton
name: Fenenko, Kateryna
name: Fenenko, Olexandr
Publisher: name: figshare
Year: 2021
Subjects: subject: 91309 Tribology
subject: FOS: Mechanical engineering

description: Для моделювання та прогнозування зносостійкості трибосистем, а також для розрахунку швидкості зношування та втрат на тертя, в математичних виразах необхідно враховувати фактор, який є характеристикою матеріалів, з яких виготовлені трибоелементи. Даний фактор повинен бути структурно-чутливою характеристикою і реагувати на зміни в поверхневих шарах матеріалів в процесі припрацювання, а також на величину і градієнти температур і напружень в матеріалах під час припрацювання. Як доведено в роботах [1,2] таким фактором може бути логарифмічний декремент загасання ультразвукових коливань в структурі матеріалів.
Structure and properties of an amorphous metal--organic framework
Creators: name: Bennett, Thomas D.
name: Goodwin, Andrew L.
name: Dove, Martin T.
name: Keen, David A.
name: Tucker, Matthew G.
name: Barney, Emma R.
name: Soper, Alan K.
name: Bithell, Erica G.
name: Tan, Jin-Chong
name: Cheetham, Anthony K.
Publisher: name: arXiv
Year: 2010
Subjects: subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: We show that ZIF-4, a metal-organic framework (MOF) with a zeolitic structure, undergoes a crystal--amorphous transition on heating to 300 $^\circ$C. The amorphous form, which we term a-ZIF, is recoverable to ambient conditions or may be converted to a dense crystalline phase of the same composition by heating to 400 $^\circ$C. Neutron and X-ray total scattering data collected during the amorphization process are used as a basis for reverse Monte Carlo refinement of an atomistic model of the structure of a-ZIF. We show that the structure is best understood in terms of a continuous random network analogous to that of a-SiO$_2$. Optical microscopy, electron diffraction and nanoindentation measurements reveal a-ZIF to be an isotropic glass-like phase capable of plastic flow on its formation. Our results suggest an avenue for designing broad new families of amorphous and glass-like materials that exploit the chemical and structural diversity of MOFs.
description: 4 pages, formatted for PRL
A simple mathematical model for anomalous diffusion via Fisher's information theory
Creators: name: Ubriaco, Marcelo R.
Publisher: name: arXiv
Year: 2009
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: FOS: Physical sciences

description: Starting with the relative entropy based on a previously proposed entropy function $S_q[p]=\int dx p(x)(-\ln p(x))^q$, we find the corresponding Fisher's information measure. After function redefinition we then maximize the Fisher information measure with respect to the new function and obtain a differential operator that reduces to a space coordinate second derivative in the $q\to 1$ limit. We then propose a simple differential equation for anomalous diffusion and show that its solutions are a generalization of the functions in the Barenblatt-Pattle solution. We find that the mean squared displacement, up to a $q$-dependent constant, has a time dependence according to $\sim K^{1/q}t^{1/q}$, where the parameter $q$ takes values $q=\frac{2n-1}{2n+1}$ (superdiffusion) and $q=\frac{2n+1}{2n-1}$ (subdiffusion), $\forall n\geq 1$.
description: 13 pages,3 figures
Binding order and apparent binding affinity in the bisubstrate activity of strictosidine synthase
Creators: name: Kulhar, Nitin
name: Eerappa, Rajakumara
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Computational Biology

description: The Rauvolfia serpentina strictosidine synthase (RsSTR) enzyme with a bisubstrate activity is central to monoterpenoid indole alkaloid (MIA) biosynthesis pathways, as it stereoselectively condenses the terpenoid and indole metabolites, secologanin and tryptamine, respectively, into strictosidine. Here, cooperativity was aimed to be deciphered by proxy with help of a non-substrate tryptamine analog (decoy compound) to allow a bisubstrate binding without reaction, facilitating an isothermal titration calorimetry (ITC)-based analysis of the effect of the presence of one substrate on the binding of the other. Tryptamine and tryptamine analog bound to RsSTR with similar binding affinities (Kd). On the contrary, ITC revealed an exothermic titration of secologanin to RsSTR but could not fully quantify it because of weak binding. Interestingly, secologanin bound to RsSTR with an apparent binding affinity (Kd,app) of 212.1 μM in the presence of the decoy compound, as opposed to a lack of binding to RsSTR alone, strongly suggesting a “tryptamine-first” mode of binding. Conversely, binding of tryptamine analog in the presence of secologanin was enhanced >3-fold. Further, molecular dynamics simulation (MDS) analyses revealed the conformational flexibility needed for such cooperativity. Our binding studies complemented with the computational analyses suggested cooperativity in the ordered bisubstrate binding to RsSTR. Therefore, understanding thermodynamics and cooperativity in the binding of substrates or ligands would help to unravel the mechanism of enzyme catalysis and ligand-receptor interactions, and would guide the redesign of enzymes for enhanced properties and the design of inhibitors against enzymes and receptors. Communicated by Ramaswamy H. Sarma
The 0.4 < z < 1.3 star formation history of the Universe as viewed in the far-infrared
Creators: name: Magnelli, B.
name: Elbaz, D.
name: Chary, R. R
name: Dickinson, M.
name: Borgne, D. Le
name: Frayer, D. T.
name: Willmer, C. N. A.
Publisher: name: arXiv
Year: 2009
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: FOS: Physical sciences

description: [Abridged] We use the deepest existing mid- and far-infrared observations (reaching ~3 mJy at 70 um) obtained with Spitzer in the GOODS and FIDEL fields to derive the evolution of the rest-frame 15 um, 35 um, and total infrared luminosity functions of galaxies spanning z < 1.3. In comparison with previous studies, the present one takes advantage of deep 70 um observations that provide a more robust infrared luminosity indicator than 24 um affected by the emission of PAHs at high redshift (z~1), and we use several independent fields to control cosmic variance. We use a new extraction technique based on the well-determined positions of galaxies at shorter wavelengths to extract the 24 and 70 um flux densities of galaxies. Using a combination of photometric and spectroscopic redshifts that exist for ~80% of the sources in our sample, we are able to estimate the rest-frame luminosities of galaxies at 15um and 35um. Then using a careful stacking analysis to validate the infrared bolometric corrections we compute the infrared luminosity function in three redshift bins z~0.55, z~0.85, and z~1.15. We find that the average infrared spectral energy distribution of galaxies over the last 2/3 of the cosmic time is consistent with that of local galaxies, although individual sources do present significant scatter. We also measured both the bright and faint ends of the infrared luminosity functions and find no evidence for a change in the slope of the double power law used to characterize the luminosity function. The redshift evolution of infrared luminous galaxies is consistent with pure luminosity evolution proportional to (1+z)^3.6 up to z~1.3. The comoving number density of infrared luminous galaxies has increased by a factor of ~100 between 0< z <1. By z~1.0, LIRGs produce half of the total comoving infrared luminosity density.
description: A&A accepted. (v2) matches published version
title: Konturen einer ‚neuen politischen Religionspädagogik‘?
title: Begriffstheoretische Betrachtungen einer zerfaserten Debatte
titleType: Subtitle
Creators: name: Herbst, Jan-Hendrik
Publisher: name: Universität Graz
Year: 2019

description: Erneut wird über die politische Ausrichtung von Religionspädagogik diskutiert. Die Debatte zerfasert jedoch, weil Beiträge häufig singulär bleiben. Ein Ziel des Aufsatzes ist es, die Diskussion zu kartographieren und die einzelnen Beiträge stärker in einen gemeinsamen Zusammenhang zu stellen. Zu diesem Zweck wird für den Begriff einer
‚neuen politischen Religionspädagogik‘ plädiert. Dieser beschreibt und benennt geteilte Grundannahmen. Gegen zwei mögliche Einwände wird für den Begriff argumentiert, weil er auf inkonsistente Annahmen und mögliche Leerstellen in der Debatte verweist.
description: Once again, there is a discussion about the political orientation of religious education. But the debate is fragmented, because the different voices often stay singular. One objective of this article is to map the discussion and to offer a common frame for the different contributions. For this purpose, I will plead for the term ‚new political religious education‘. It describes and names shared assumptions in the debate. I will argue against two potential objections and for the term because it points at inconsistent assumptions and blind spots.
description: Österreichisches Religionspägadogisches Forum, 27(1), 28-41
Direct Observation of a Cross-Field Current-Carrying Plasma Rotating Around an Unstable Magnetized Plasma Column
Creators: name: Jaeger, S.
name: Pierre, Th.
Publisher: name: arXiv
Year: 2008
Subjects: subject: Plasma Physics (physics.plasm-ph)
subject: FOS: Physical sciences

description: The low-frequency instability of a magnetized plasma column and the anomalous radial plasma convection are shown to be linked with the existence of a radial cross-field current along a plasma channel rotating around the central magnetized plasma. The direct observation of the rotating plasma is obtained using an ultra-fast intensified camera. The ionizing electrons injected along the axis of the plasma column contribute to the accumulation of negative charges when the axial collector is at floating potential. The required neutrality leads to the continuous radial expulsion of energetic electrons and to the formation of a rotating plasma channel (m=1 unstable wave). This situation has previously been interpreted erroneously as a diamagnetic drift wave.
Synthesis, spectral, DFT calculation, antimicrobial, antioxidant, DNA/BSA binding and molecular docking studies of bio-pharmacologically active pyrimidine appended Cu(II) and Zn(II) complexes
Creators: name: Revathi, Nagaraj
name: Sankarganesh, Murugesan
name: Raja, Jeyaraj Dhaveethu
name: Raja, Samuelraj Johnson
name: Gurusamy, Shunmugasundaram
name: Asha, Radhakrishnan Nandini
name: Jeyakumar, Thayalraj Christopher
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Cancer

description: A new pyrimidine derivative Schiff base (HL) [HL = 2-((4-amino-6-chloropyrimidin-2-ylimino)methyl)-4-nitrophenol] has been synthesized using 2,6-diamino-4-chloropyrimidine and 5-nitrosalicylaldehyde. Transition metal complexes of Cu(II) and Zn(II) complexes [CuL(OAc)] (1), [ZnL(OAc)] (2) are prepared with HL/metal(II) acetate with molar ratio of 1:1. The Schiff base (HL) and the complexes 1 and 2 are evaluated by UV-Visible, 1H-NMR, FT-IR, EI-MS and ESR spectral techniques. Complexes 1 and 2 are confirmed as square planar geometry. Electrochemical studies of the complexes 1 and 2 are used to analyse the quasi reversible process. Density Functional Theory (DFT) using the B3LYP/6-31++G(d,p) level basis set was used to get the optimised geometry and non-linear optical properties. The complexes 1 and 2 are good antimicrobial agents than Schiff base (HL). The interactions of the HL and complexes 1 and 2 with Calf Thymus (CT) DNA are investigated by electronic absorption methods and viscosity measurements. Various molecular spectroscopy techniques, such as UV absorption and fluorescence, were used to explore the mechanism of interaction between the BSA and the ligand HL and complexes 1 & 2 under physiological settings. Complexes 1 and 2 are act as potential antioxidants than free Schiff base (HL) by DPPH radical scavenging assay. Furthermore, the purpose of the molecular docking studies was to better understand how metal complexes interact with biomolecules (CT-DNA and BSA). From these biological analyses, complex 1 acts as good intercalator with CT DNA & BSA and potent antioxidant with DPPH radical than complex 2. Communicated by Ramaswamy H. Sarma
Synthesis of spirocyclopropanes via iodine-promoted bimolecular cyclization of 2-benzylidene 1,3-indandiones
Creators: name: He, Zeng-Yang
name: Ning, Yong
name: Zhao, Yu-Fei
name: Diao, Hong-Lin
name: Zou, Peng
name: Wang, Wen-Bin
name: Shu, Jun-Sheng
name: Xu, Hui
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Physical Sciences not elsewhere classified
subject: Medicine
subject: Molecular Biology
subject: Neuroscience
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Mental Health
subject: Infectious Diseases
subject: FOS: Health sciences

description: A novel and efficient iodine-promoted bimolecular annulation of 2-benzylidene 1,3-indandiones has been developed. Following this protocol, a series of spirocyclopropane derivatives were furnished in good to excellent yields. The present protocol features mild conditions, short reaction time, high efficiency, good chemoselectivity and remarkable functional group tolerance.
Factors affecting the re-establishment of native plant species on abandoned pastures
Creators: name: Appleby, Matthew W. A
Publisher: name: University Of Tasmania
Year: 2023

description: This thesis examines the re-establishment of native plant species on abandoned pastures in Tasmania adjacent to undisturbed native forest. The rate of native species re-establishment on these sites is typically very slow and limited to a small subset of species present in the adjacent forest. The aim of this study was to investigate the factors that limit or facilitate this re-establishment. With the continuing decline of remnant native vegetation in rural Australia, research in this area is required to promote the process of re-establishment. Re-establishment on improved pastures was restricted to the edge of the pasture, whereas on unimproved (native) pastures reestablishment extended further into the pasture. In both cases, native trees and shrubs were relatively infrequent compared with herbaceous species. The effects of fire, soil disturbance and grazing were examined. The exotic pasture species resprouted quickly following disturbance, but there was typically a reduction in the dominance of exotic grasses. However, very little germination or growth of native species occurred following disturbance of the pasture. Significant inputs of seed were detected for native tree and shrub species (Eucalyptus spp., Leptospermum scoparium and Epacris spp.). However, relatively few seeds of native species were found in the soil seed bank in the pastures. Rates of seed predation were high in all seasons except winter. For some native species, the rate of predation may be sufficiently high to counter the large quantity of seed-fall. Seedlings of native trees and shrubs (Eucalyptus pulchella, Leptospermttm scoparium and Bedfordia salicina) were planted in the pasture with different levels of competition from the pasture grasses. Seedlings were more likely to survive or grow faster if grass root competition was reduced. Frost and herbivory contributed to the mortality of seedlings. The soil nutrient status of the pasture was not significantly different from the adjacent forest soil, except for available and total phosphorus which were higher in the pasture. Under glasshouse conditions, the growth rates of the three selected native species (see above) were better on the soil collected from the pasture than forest soil. However, the formation of mycorrhizal associations was poor on seedlings grown in pasture soil, except for soils collected from the pasture edge and from beneath isolated native trees in the pasture. In conclusion, the opportunities for the establishment of native seedlings are likely to be rare. This seems to be mainly due to the presence of exotic grasses that were highly resilient to disturbance and highly competitive.
МОДЕЛЮВАННЯ ЗМІНИ РЕОЛОГІЧНИХ ВЛАСТИВОСТЕЙ СТРУКТУРИ СПОЛУЧЕНИХ МАТЕРІАЛІВ У ТРИБОСИСТЕМІ
Creators: name: Voitov, Anton
name: Fenenko, Kateryna
name: Fenenko, Olexandr
Publisher: name: figshare
Year: 2021
Subjects: subject: 91309 Tribology
subject: FOS: Mechanical engineering

description: Для моделювання та прогнозування зносостійкості трибосистем, а також для розрахунку швидкості зношування та втрат на тертя, в математичних виразах необхідно враховувати фактор, який є характеристикою матеріалів, з яких виготовлені трибоелементи. Даний фактор повинен бути структурно-чутливою характеристикою і реагувати на зміни в поверхневих шарах матеріалів в процесі припрацювання, а також на величину і градієнти температур і напружень в матеріалах під час припрацювання. Як доведено в роботах [1,2] таким фактором може бути логарифмічний декремент загасання ультразвукових коливань в структурі матеріалів.
Distinguishing between SUSY and Littlest Higgs Model using trileptons at the LHC
Creators: name: Gupta, Sudhir Kumar
Publisher: name: arXiv
Year: 2009
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: Littlest Higgs model with T-parity and Minimal Supersymmtric standard Model with R-parity both give similar signatures in collider experiment with a huge amount of missing energy depending upon mass of the lightest T-odd/R-odd particle. In this talk, I will discuss possibility of distinguishing the two models at the LHC in hadronically quiet signal where masses of R-odd particles are identical to masses of T-odd particles.
description: To appear in the proceedings of Supersymmetry and the Unification of Fundamental Interactions (SUSY'09), Boston, USA
Scalar-pseudoscalar meson spectrum in SU(3) PNJL model
Creators: name: Costa, Pedro
name: Ruivo, M. C.
name: de Sousa, C. A.
name: Hansen, H.
name: Alberico, W. M.
Publisher: name: arXiv
Year: 2009
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: We investigate the modifications of mesonic properties in a hot medium having in mind to use the mesonic modes as a tool to analyze the restoration of chiral and axial symmetries in the context of the SU(3) Polyakov--Nambu--Jona-Lasinio (PNJL) model. The results lead to the conclusion that the effects of the Polyakov loop are fundamental for reproducing lattice findings. It is found that the restoration of chiral symmetry in the PNJL model occurs in a small range of temperature (smaller that in the Nambu--Jona-Lasinio (NJL)), and the topological susceptibility reproduces well the lattice results around $T/T_c^χ\approx 1.0$.
description: Talk given at the 8th International Conference on Quark Confinement and the Hadron Spectrum, Mainz, Germany, September 1-6, 2008
Molecular docking, QSAR, pharmacophore modeling, and dynamics studies of some chromone derivatives for the discovery of anti-breast cancer agents against hormone-dependent breast cancer
Creators: name: Arvindekar, Snehal A.
name: Mohole, Suraj
name: Patil, Aishwarya
name: Mane, Pradnya
name: Arvindekar, Aditya
name: Mali, Suraj N.
name: Thorat, Bapu
name: Rawat, Ravi
name: Sharma, Shilpa
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biochemistry
Cell Biology
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified
Cancer

description: In search of new anti-breast cancer agents, the present study envisaged the design and synthesis of a series of benzopyran-chalcones. All the synthesized compounds were assayed for their in-vitro anticancer activity against ER + MCF-7 and triple-negative MDA-MB-231 breast cancer cell lines using SRB assay. The synthesized compounds were found active against ER + MCF-7 cell lines. Based on the in-vitro data, in-silico analysis was performed using hormone-dependent breast cancer targets such as hER-α and aromatase because the compounds showed activity against MCF-7 cells and none was active against MDA-MB-231. The in-silico results supported the in-vitro anticancer activity suggesting the affinity of compounds toward hormone-dependant breast cancer. Compounds 4A1 to 4A3 were found to be most cytotoxic to MCF-7 cells with IC50 values of 31.87, 22.95, and 20.34 μg/ml, respectively (Doxorubicin IC50: <10 μg/ml). In addition, they showed the interactions with the amino acid residues of a binding cavity of an hER-α. Furthermore, quantitative structure-activity relationship (QSAR) studies were performed to reveal the vital structural features required for anticancer activity against breast cancer. Molecular dynamic simulation studies of hER-α and 4A3 in comparison with the raloxifene complex ensure the appropriate refinement of compounds in the dynamic system. Additionally, a generated pharmacophore model explored the essential pharmacophoric features of the synthesized scaffolds with respect to clinically used drug molecules for optimal hormone-dependant anti-breast cancer activity. Communicated by Ramaswamy H. Sarma Communicated by Ramaswamy H. Sarma
[Documentation for Master of Fine Arts course]
Creators: name: Brassington, P
Publisher: name: University Of Tasmania
Year: 2023

description: The initial source of inspiration for my work has been by relating 'human nature' (mine in particular) to my metaphorical assumptions on the concept of opposite in natural phenomena. I value these ideas, but don't want to be precious or self-conscious about them. I am attempting to resolve my concerns visually by - (a) projecting my feelings onto my intimate, immediate locality and a less personal, larger surrounding landscape. In a sense I am probably creating analogies between inner and outer spaces, but I want to retain a feeling of tension within the images to reiterate different Spaces. I should mention that my treatment of visual space is dominated by a tendency to experience space as a barrier; possessing the same properties as matter. (b) by trying to achieve a tense, psychological interaction between self and subject, or subject and environment, or between one image and another within a pair or group of images. Both points (a) and (b) are ultimately used to achieve similar results, but I utilise and need to rely on 'chance' in the latter to allow the outer space to arrange itself. I will continue to pursue my concerns via the medium of photography, but I have recently renewed my interest in etching. I would like to utilise the expressive quality of the mark as it relates to my ideas. I intend to explore ‚ÄövÑvÆ marks as an expression of inner feelings; words as personal similes to describe outer spaces; and images as an amalgamation of both. At this stage my imagery has been controlled by these criteria, but I have been considering aspects of process and presentation as reinforcement for my ideas. I have asked myself why is it so difficult to achieve a 'significant' statement from a single image? Why do photographers generally present work in groups, pairs, sets, etc.? Collage interests me as an alternative method, but I feel that this process should only be applied if it can reinforce my ideas and does not interfere with the integrity of the image. I propose to explore collage as a means of presentation. Also, as my seminar topic was derived from my major concerns, it is probable that I may want to expand and explore its visual potential. Briefly, the topic 'Art and Sport' was chosen to allow me to utilise the concept of a 'marathon runner' acting on his environment or visa versa. At this stage no concrete visual imagery has evolved, but I have been researching visual and written material dealing with movement through space. During the course it is very probable that other aspects may emerge in my work, which I would reasonably want to follow up, recognising the speculative nature of art. However, I see a challenge in achieving the qualities outlined above; they at the very least provide a substantial point of departure.
Module networks revisited: computational assessment and prioritization of model predictions
Creators: name: Joshi, Anagha
name: De Smet, Riet
name: Marchal, Kathleen
name: Van de Peer, Yves
name: Michoel, Tom
Publisher: name: arXiv
Year: 2009
Subjects: subject: Quantitative Methods (q-bio.QM)
subject: Molecular Networks (q-bio.MN)
subject: FOS: Biological sciences

description: The solution of high-dimensional inference and prediction problems in computational biology is almost always a compromise between mathematical theory and practical constraints such as limited computational resources. As time progresses, computational power increases but well-established inference methods often remain locked in their initial suboptimal solution. We revisit the approach of Segal et al. (2003) to infer regulatory modules and their condition-specific regulators from gene expression data. In contrast to their direct optimization-based solution we use a more representative centroid-like solution extracted from an ensemble of possible statistical models to explain the data. The ensemble method automatically selects a subset of most informative genes and builds a quantitatively better model for them. Genes which cluster together in the majority of models produce functionally more coherent modules. Regulators which are consistently assigned to a module are more often supported by literature, but a single model always contains many regulator assignments not supported by the ensemble. Reliably detecting condition-specific or combinatorial regulation is particularly hard in a single optimum but can be achieved using ensemble averaging.
description: 8 pages REVTeX, 6 figures
Colégio de Medicina física e de reabilitação - 1º comunicado relativo à Pandemia cOVid-19
Creators: name: Cantista, Pedro
Publisher: name: Sociedade Portuguesa de Medicina Física e de Reabilitação
Year: 2020

description: .
description: Revista da Sociedade Portuguesa de Medicina Física e de Reabilitação, v. 32, n. 2 (2020): Ano 28
Search for charged Higgs Bosons at D0
Creators: name: Peters, Y.
Publisher: name: arXiv
Year: 2008
Subjects: subject: High Energy Physics - Experiment (hep-ex)
subject: FOS: Physical sciences

description: In both Supersymmetry and in generic Two Higgs Doublet models (2HDM), the charged Higgs boson $H^+- exhibits a unique phenomenological signature. We report on a search for charged Higgs bosons, performed using 0.9 fb^-1 of data collected with the D0 detector at the Fermilab Tevatron ppbar collider with a center-of-mass energy of \sqrt{s}=1.96 TeV. No evidence for a charged Higgs boson is found and we set limits on its production cross section or the branching fraction.
description: 3 pages, 5 figures, Submitted to the Proceedings of the SuSy08 conference, 16-21 June 2008, Seoul, Korea
The biguanide–sulfonamide derivatives: synthesis, characterization and investigation of anticholinesterase inhibitory, antioxidant and DNA/BSA binding properties
Creators: name: Gungor, Ozge
name: Kose, Muhammet
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology

description: A number of new biguanidine-sulfonamide derivatives (1–16) were synthesized and their structures were characterized by spectroscopic and analytical methods. Crystal structures of the compounds 1, 4, 8, 10 and 14 were determined by single crystal X-ray diffraction studies. X-ray crystallographic data showed the π-electron delocalization through the biguanide units. The AChE and BChE cholinesterase inhibitor, DPPH antioxidant and DNA/BSA binding properties of the synthesized compounds were evaluated. Results of cholinesterase inhibitory properties have shown that the compounds containing electron-withdrawing (–F, –Cl) groups have higher AChE/BChE inhibitory and antioxidant activities. Compound 3 showed higher BChE inhibitory activity than tacrine with IC50 value of 28.4 µM. The compounds interact with DNA via minor groove binding mode. The compounds with a naphthyl group in its structure strongly binds with DNA/BSA biomolecules. Communicated by Ramaswamy H. Sarma
Colégio de Medicina física e de reabilitação - 2º comunicado relativo à Pandemia cOVid-19
Creators: name: Pinto Cantista, António Pedro
name: Gaspar De Camões Barbosa, Alexandre André
name: Pinto Rodrigues, Bárbara Cristina Moreira Da Cruz Teixeira
name: Botelho De Almeida, Catarina Maria Da Cunha Cavalheiro De Aguiar Branco
name: Afonso Pires, Eduarda Sandra Diogo Martins
name: Botelho De Almeida, Fernando António
name: Costa Laíns, Jorge Manuel
name: Ascensão Jacinto, Luís Jorge
Publisher: name: Sociedade Portuguesa de Medicina Física e de Reabilitação
Year: 2020

description: .
description: Revista da Sociedade Portuguesa de Medicina Física e de Reabilitação, v. 32, n. 2 (2020): Ano 28
183 GHz H$_2$O maser emission around the low-mass protostar Serpens SMM1
Creators: name: van Kempen, T. A.
name: Wilner, D.
name: Gurwell, M.
Publisher: name: arXiv
Year: 2009
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: We report the first interferomteric detection of 183 GHz water emission in the low-mass protostar Serpens SMM1 using the Submillimeter Array with a resolution of 3$"$ and rms of $\sim$7 Jy in a 3 km s$^{-1}$ bin. Due to the small size and high brightnessof more than 240 Jy/beam, it appears to be maser emission. In total three maser spots were detected out to $\sim$ 700 AU from the central protostar, lying along the red-shifted outflow axis, outside the circumstellar disk but within the envelope region as evidenced by the continuum measurements. Two of the maser spots appear to be blue-shifted by about 1 to 2 km s$^{-1}$. No extended or compact thermal emission from a passively heated protostellar envelope was detected with a limit of 7 Jy (16 K), in agreement with recent modelling efforts. We propose that the maser spots originate within the cavity walls due to the interaction of the outflow jet with the surrounding protostellar envelope. Hydrodynamical models predict that such regions can be dense and warm enough to invert the 183 GHz water transition.
description: Accepted for ApJ letters, 2 figures
The canonical Gamma-Ray Bursts and their "precursors"
Creators: name: Ruffini, Remo
name: Aksenov, Alexey G.
name: Bernardini, Maria Grazia
name: Bianco, Carlo Luciano
name: Caito, Letizia
name: Dainotti, Maria Giovanna
name: De Barros, Gustavo
name: Guida, Roberto
name: Vereshchagin, Gregory V.
name: Xue, She-Sheng
Publisher: name: arXiv
Year: 2009
Subjects: subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: FOS: Physical sciences

description: The fireshell model for Gamma-Ray Bursts (GRBs) naturally leads to a canonical GRB composed of a proper-GRB (P-GRB) and an afterglow. P-GRBs, introduced by us in 2001, are sometimes considered "precursors" of the main GRB event in the current literature. We show in this paper how the fireshell model leads to the understanding of the structure of GRBs, with precise estimates of the time sequence and intensities of the P-GRB and the of the afterglow. It leads as well to a natural classification of the canonical GRBs which overcomes the traditional one in short and long GRBs.
description: 4 pages, 3 figures, Proceedings of the 2008 Nanjing GRB conference
The fifth-order post-Newtonian Hamiltonian dynamics of two-body systems from an effective field theory approach
Creators: name: Blümlein, J.
name: Maier, A.
name: Marquard, Peter
name: Schäfer, G.
Publisher: name: Deutsches Elektronen-Synchrotron, DESY, Hamburg
Year: 2021
Subjects: Hamiltonian
effective field theory
scattering
general relativity
numerical calculations
mass ratio
structure

description: Within an effective field theory method to general relativity, we calculate the fifth-order post--Newtonian (5 PN) Hamiltonian dynamics also for the tail terms, extending earlier work on the potential contributions, working in harmonic coordinates. Here we calculate independently all (local) 5 PN contributions to the tail terms using the in--in formalism, on which we give a detailed account. The five expansion terms of the Hamiltonian in the effective one body (EOB) approach, $q_{82}, q_{63}, q_{44}, \bar{d_5}$ and $a_6$, can all be determined from the local contributions to periastron advance $K^{\rm loc,h}(\hat{E},j)$, without further assumptions on the structure of the symmetric mass ratio, $\nu$, of the expansion coefficients of the scattering angle $\chi_k$. The $O(\nu^2)$ contributions to the 5 PN EOB parameters have been unknown in part before. We perform comparisons of our analytic results with the literature and also present numerical results on some observables.
Suzaku Monitoring of the Seyfert 1 Galaxy NGC5548: Warm Absorber Location and its Implication for Cosmic Feedback
Creators: name: Krongold, Y.
name: Elvis, M.
name: Andrade-Velazquez, M.
name: Nicastro, F.
name: Mathur, S.
name: Reeves, J. N.
name: Brickhouse, N. S.
name: Binette, L.
name: Jimenez-Bailon, E.
name: Grupe, D.
name: Liu, Y.
name: McHardy, I. M.
name: Minezaki, T.
name: Yoshii, Y.
name: Wilkes, B.
Publisher: name: arXiv
Year: 2010
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: FOS: Physical sciences

description: (Abridged) We present a two month Suzaku X-ray monitoring of the Seyfert 1 galaxy NGC 5548. The campaign consists of 7 observations. We analyze the response in the opacity of the gas that forms the ionized absorber to ionizing flux variations. Despite variations by a factor of 4 in the impinging continuum, the soft X-ray spectra of the source show little spectral variations, suggesting no response from the ionized absorber. A detailed time modeling confirms the lack of opacity variations for an absorbing component with high ionization. Instead, the models tentatively suggest that the ionization parameter of a low ionization absorbing component might be changing with the ionizing flux, as expected for gas in photoionization equilibrium. Using the lack of variations, we set an upper limit of n_e <2.0E7 cm-3 for the electron density of the gas forming the high ionization, high velocity component. This implies a large distance from the continuum source (R > 0.033 pc). If the variations in the low ionization component are real, they imply n_e >9.8E4 cm-3 and R < 3 pc. We discuss our results in terms of two different scenarios: a large scale outflow originating in the inner parts of the accretion disk, or a thermally driven wind originating much farther out. Given the large distance of the wind, the implied mass outflow rate is also large (Mw > 0.08 Maccr). The associated total kinetic energy deployed by the wind in the host galaxy (>1.2E56 erg) can be enough to disrupt the interstellar medium, possibly regulating large scale star formation. The total mass and energy ejected by the wind is still lower than the one required for cosmic feedback, even when extrapolated to quasar luminosities. Such feedback would require that we are observing the wind before it is fully accelerated.
description: To appear on The Astrophysical Journal, January 20, 2010
Finite-size Effect of the Dyonic Giant Magnons in N=6 super Chern-Simons Theory
Creators: name: Ahn, Changrim
name: Bozhilov, P.
Publisher: name: arXiv
Year: 2008
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: We consider finite-size effects for the dyonic giant magnon of the type IIA string theory on AdS_4 x CP^3 by applying Luscher mu-term formula which is derived from a recently proposed S-matrix for the N=6 super Chern-Simons theory. We compute explicitly the effect for the case of a symmetric configuration where the two external bound states, each of A and B particles, have the same momentum p and spin J_2. We compare this with the classical string theory result which we computed by reducing it to the Neumann-Rosochatius system. The two results match perfectly.
description: 15 pages, References added
Optimal deterministic ring exploration with oblivious asynchronous robots
Creators: name: Lamani, Anissa
name: Potop-Butucaru, Maria
name: Tixeuil, Sébastien
Publisher: name: arXiv
Year: 2009
Subjects: subject: Data Structures and Algorithms (cs.DS)
subject: FOS: Computer and information sciences

description: We consider the problem of exploring an anonymous unoriented ring of size $n$ by $k$ identical, oblivious, asynchronous mobile robots, that are unable to communicate, yet have the ability to sense their environment and take decisions based on their local view. Previous works in this weak scenario prove that $k$ must not divide $n$ for a deterministic solution to exist. Also, it is known that the minimum number of robots (either deterministic or probabilistic) to explore a ring of size $n$ is 4. An upper bound of 17 robots holds in the deterministic case while 4 probabilistic robots are sufficient. In this paper, we close the complexity gap in the deterministic setting, by proving that no deterministic exploration is feasible with less than five robots whenever the size of the ring is even, and that five robots are sufficient for any $n$ that is coprime with five. Our protocol completes exploration in O(n) robot moves, which is also optimal.
A new basis set for the description of electrons in superconductors
Creators: name: Hirsch, J. E.
Publisher: name: arXiv
Year: 2010
Subjects: subject: Superconductivity (cond-mat.supr-con)
subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: In the usual description of electrons in metals and superconductors, the single electron states are assumed to satisfy Bloch's theorem. This is because the electron-ion interaction is privileged over the electron-electron interaction. However the theory of hole superconductivity proposes that in the transition to superconductivity carriers `undress' from the electron-ion interaction. I propose here a new basis set to describe electrons in the superconducting state that does not satisfy Bloch's theorem but instead is designed to optimize the electron-electron interaction. The new basis set favors a superconducting state where a spin current exists and where states near the bottom of the band become partially occupied, as predicted by the theory of hole superconductivity.
Virtual screening and multilevel precision-based prioritisation of natural inhibitors targeting the ATPase domain of human DNA topoisomerase II alpha
Creators: name: Lenin, Barathi
name: Ramasubramanyan, Sharada
name: Vetrivel, Umashankar
name: Chitipothu, Srujana
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Biochemistry
Medicine
Molecular Biology
Pharmacology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Hematology

description: Human DNA topoisomerase II alpha (hTopIIα) is a classic chemotherapeutic drug target. The existing hTopIIα poisons cause numerous side effects such as the development of cardiotoxicity, secondary malignancies, and multidrug resistance. The use of catalytic inhibitors targeting the ATP-binding cavity of the enzyme is considered a safer alternative due to the less deleterious mechanism of action. Hence, in this study, we carried out high throughput structure-based virtual screening of the NPASS natural product database against the ATPase domain of hTopIIα and identified the five best ligand hits. This was followed by comprehensive validation through molecular dynamics simulations, binding free energy calculation and ADMET analysis. On stringent multilevel prioritization, we identified promising natural product catalytic inhibitors that showed high binding affinity and stability within the ligand-binding cavity and may serve as ideal hits for anticancer drug development. Communicated by Ramaswamy H. Sarma
Characterization of a Single Crystal Diamond Pixel Detector in a High Energy Particle Beam
Creators: name: Mathes, M.
name: Cristinziani, M.
name: Kagan, H.
name: Smith, S.
name: Trischuk, W.
name: Velthuis, J.
name: Wermes, N.
Publisher: name: arXiv
Year: 2008
Subjects: subject: Instrumentation and Detectors (physics.ins-det)
subject: FOS: Physical sciences

description: Diamond has been developed as a material for the detection of charged particles by ionization. Its radiation hardness makes it an attractive material for detectors operated in a harsh radiation environment e.g. close to a particle beam as is the case for beam monitoring and for pixel vertex detectors. Poly-crystalline chemical vapor deposition (CVD) diamond has been studied as strip and pixel detectors so far. We report on a first-time characterization of a single-crystal diamond pixel detector in a 100 GeV particle beam at CERN. The detectors are made from irregularly shaped single crystal sensors, 395mm thick, mated by bump bonding to a front-end readout IC as used in the ATLAS pixel detector with pixel sizes of 50 x 400 mm2. The diamond sensors show excellent charge collection properties: full collection over the entire detector volume, clean and narrow signal charge distributions with a S/N value of >100 and a hit detection efficiency of (99.9 +- 0.1)%. The measured spatial resolution for particles under normal incidence in the shorter pixel direction is (8.9 +- 0.1) um.
description: 11 pages, 9 figures