cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
A new ab initio approach to the development of high temperature super conducting materials
Creators: name: Turner, Philip
name: Nottale, Laurent
Publisher: name: arXiv
Year: 2016
Subjects: subject: General Physics (physics.gen-ph)
subject: FOS: Physical sciences

description: We review recent theoretical developments, which suggest that a set of shared principles underpin macroscopic quantum phenomena observed in high temperature super conducting materials, room temperature coherence in photosynthetic processes and the emergence of long range order in biological structures. These systems are driven by dissipative systems, which lead to fractal assembly and a fractal network of charges (with associated quantum potentials) at the molecular scale. At critical levels of charge density and fractal dimension, individual quantum potentials merge to form a charged induced macroscopic quantum potential, which act as a structuring force dictating long range order. Whilst the system is only partially coherent (i.e. only the bosonic fields are coherent), within these processes many of the phenomena associated with standard quantum theory are recovered, with macroscopic quantum potentials and associated forces having their equivalence in standard quantum mechanics. We establish a testable hypothesis that the development of structures analogous to those found in biological systems, which exhibit macroscopic quantum properties, should lead to increased critical temperatures in high temperature superconducting materials. If the theory is confirmed it opens up a new, systematic, ab initio approach to the structural development of these types of materials.
description: 10 pages, 4 figures
Carbazole-based semicarbazones and hydrazones as multifunctional anti-Alzheimer agents
Creators: name: Patel, Kishan B.
name: Patel, Dushyant V.
name: Patel, Nirav R.
name: Kanhed, Ashish M.
name: Teli, Divya M.
name: Gandhi, Bhumi
name: Shah, Bhavik S.
name: Chaudhary, Bharat N.
name: Prajapati, Navnit K.
name: Patel, Kirti V.
name: Yadav, Mange Ram
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biochemistry
subject: Neuroscience
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: 111714 Mental Health
subject: FOS: Health sciences

description: With the aim to combat a multi-faceted neurodegenerative Alzheimer’s disease (AD), a series of carbazole-based semicarbazide and hydrazide derivatives were designed, synthesized and assessed for their cholinesterase (ChE) inhibitory, antioxidant and biometal chelating activity. Among them, (E)-2-((9-ethyl-9H-carbazol-3-yl)methylene)-N-(pyridin-2-yl)hydrazinecarbothioamide (62) and (E)-2-((9-ethyl-9H-carbazol-3-yl)methylene)-N-(5-chloropyridin-2-yl)hydrazinecarbothioamide (63) emerged as the premier candidates with good ChE inhibitory activities (IC50 values of 1.37 µM and 1.18 µM for hAChE, IC50 values of 2.69 µM and 3.31 µM for EqBuChE, respectively). All the test compounds displayed excellent antioxidant activity (reduction percentage of DPPH values for compounds (62) and (63) were 85.67% and 84.49%, respectively at 100 µM concentration). Compounds (62) and (63) conferred specific copper ion chelating property in metal chelation study. Molecular docking studies of compounds (62) and (63) indicate strong interactions within the active sites of both the ChE enzymes. Besides that, these compounds also exhibited significant in silico drug-like pharmacokinetic properties. Thus, taken together, they can serve as a starting point in the designing of multifunctional ligands in pursuit of potential anti-AD agents that might further prevent the progression of ADs. Communicated by Ramaswamy H. Sarma
Oxygen treatment of wastewater : a study of the oxygen dissolving performance of a two-phase venturi-nozzle type aerator
Creators: name: Leow, Jin Min.
Publisher: name: Monash University
Year: 2022

description: This thesis was scanned from the print manuscript for digital preservation and is copyright the author.
 Researchers can access this thesis by asking their local university, institution or public library to
 make a request on their behalf. Monash staff and postgraduate students can use the link in the References field.
title: Practical Recommendations for Maintaining Active Lifestyle during the COVID-19 Pandemic: A Systematic Literature Review
Creators: name: Bentlage, Ellen
name: Ammar, Achraf
name: How, Daniella
name: Ahmed, Mona
name: Trabelsi, Khaled
name: Chtourou, Hamdi
name: Brach, Michael
Publisher: name: University of Muenster, Institutional Repository MIAMI
Year: 2023
Subjects: subject: 610 Medicine and health

description: Diminished volumes of habitual physical activity and increased sedentary levels have been observed as a result of COVID-19 home-confinement. Consequences of inactivity, including a higher mortality rate and poorer general health and fitness, have been reported. This systematic review aimed to provide practical recommendations for maintaining active lifestyles during pandemics. In May 2020, two electronic databases (PubMed; Web of Science) were used to search for relevant studies. A total of 1206 records were screened by two researchers. Thirty-one relevant studies were included in this systematic review, in which the methodological quality was assessed. With regard to six studies, which explicitly dealt with physical activity during COVID-19, the evidence level is classified by three articles to level II, and in the other three to level VI. Regarding the physical activity recommendations in these papers, three of them were classified to a medium, and the same number to a weak evidence base. Of the 25 papers which refer to other pandemics and/or isolation situations, one was classified to evidence level I, four were ranged to level II, three to level III, one to level V, and the others to level VI. This systematic review revealed that reduced physical activity levels are of serious concern during home confinement in pandemic times. The recommendations provided by many international organizations to maintain active lifestyles during these times mainly target the general population, with less consideration for vulnerable populations (e.g., older adults, people with health issues). Therefore, personalized and supervised physical activity programs are urgently needed, with the option to group-play physical activity programs (e.g., exergames). These can be assisted, delivered, and disseminated worldwide through information and communication technology solutions. If it is permitted and safe, being active outside in daylight is advised, with an effort level of mild to moderate using the rating of perceived exertion scale. Relaxation techniques should be integrated into the daily routine to reduce stress levels. On the evidence base and levels of the included articles in this review, the results need to be interpreted with caution. Given that policies are different across regions and countries, further research is needed to categorize recommendations according to different social-distancing scenarios.
Final Results of the MEG Experiment
Creators: name: Mori, Toshinori
Publisher: name: arXiv
Year: 2016
Subjects: subject: High Energy Physics - Experiment (hep-ex)
subject: Instrumentation and Detectors (physics.ins-det)
subject: FOS: Physical sciences

description: Transitions of charged leptons from one generation to another are basically prohibited in the Standard Model because of the mysteriously tiny neutrino masses, although such flavor-violating transitions have been long observed for quarks and neutrinos. Supersymmetric Grand Unified Theories (SUSY GUT), which unify quarks and leptons as well as their forces, predict that charged leptons should also make such transitions at small but experimentally observable rates. The MEG experiment was the first to have explored one of such transitions, mu+ -> e+ gamma decays, down to the branching ratios predicted by SUSY GUT. Here we report the final results of the MEG experiment based on the full dataset collected from 2009 to 2013 at the Paul Scherrer Institut, corresponding to a total of 7.5 x 10^14 stopped muons on target. No excess for mu+ -> e+ gamma decays was found. Thus the most stringent upper bound was placed on the branching ratio, B(mu+ -> e+ gamma) < 4.2 x 10^-13 at 90% C.L., about 30 times tighter than previous experiments, and severely constrains SUSY GUT and other well-motivated theories. We are now preparing the upgraded experiment MEG II with an aim to achieve a sensitivity of 4 x 10^-14 after three years of data taking. It is expected to start late in 2017.
description: 8 pages, 7 figures, 1 table; invited contribution to Les Rencontres de Physique de la Vall\'ee d'Aoste, La Thuile, March 6-12, 2016
Additional file 4 of Barriers to tuberculosis treatment adherence in high-burden tuberculosis settings in Ashanti region, Ghana: a qualitative study from patient’s perspective
Creators: name: Appiah, Maxwell Afranie
name: Arthur, Joshua Appiah
name: Gborgblorvor, Delphine
name: Asampong, Emmanuel
name: Kye-Duodu, Gideon
name: Kamau, Edward Mberu
name: Dako-Gyeke, Phyllis
Publisher: name: figshare
Year: 2023
Subjects: subject: Medicine
subject: Biotechnology
classificationCode: 59999
subject: Environmental Sciences not elsewhere classified
classificationCode: 69999
subject: Biological Sciences not elsewhere classified
subject: Cancer
subject: Science Policy
classificationCode: 110309
subject: Infectious Diseases
subject: FOS: Health sciences

description: Additional file 4. Co-occurrence of data and potential relationships
Deriving analytic solutions for compact binary inspirals without recourse to adiabatic approximations
Creators: name: Galley, Chad R.
name: Rothstein, Ira Z.
Publisher: name: arXiv
Year: 2016
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: High Energy Physics - Phenomenology (hep-ph)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: We utilize the dynamical renormalization group formalism to calculate the real space trajectory of a compact binary inspiral for long times via a systematic resummation of secularly growing terms. This method generates closed form solutions without orbit averaging, and the accuracy can be systematically improved. The expansion parameter is $v^5 νΩ(t-t_0)$ where $t_0$ is the initial time, $t$ is the time elapsed, and $Ω$ and $v$ are the angular orbital frequency and initial speed, respectively, and $ν$ is the binary's symmetric mass ratio. We demonstrate how to apply the renormalization group method to resum solutions beyond leading order in two ways. First, we calculate the second order corrections of the leading radiation reaction force, which involves highly non-trivial checks of the formalism (i.e. its renormalizability). Second, we show how to systematically include post-Newtonian corrections to the radiation reaction force. By avoiding orbit averaging we gain predictive power and eliminate ambiguities in the initial conditions. Finally, we discuss how this methodology can be used to find analytic solutions to the spin equations of motion that are valid over long times.
description: 18 pages, 2 figures
Synthesis, biological evaluation and molecular dynamics studies of oxadiazine derivatives as potential anti-hepatotoxic agents
Creators: name: Akbar, Saleem
name: Das, Subham
name: Iqubal, Ashif
name: Ahmed, Bahar
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biochemistry
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Cancer

description: Generally, herbal medicines having remarkable popularity for treating liver ailments, but they are still unacceptable because of the deprivation of herbal drug standardization. Therefore, there is a need for promising synthetic drugs to overcome the critical liver problem. We introduce 1, 3, 4-oxadiazine ring in this study to identify better anti-hepatotoxic agents via a suitable synthetic route. These oxadiazine-based derivatives were structurally confirmed by analytical and spectral data and evaluated for their anti-hepatotoxic potential. Further, in vitro hepatotoxicity studies have been done to check the toxicity level in the synthesized compound. Compounds 5a, 5b, 5c and 9d were selected for further biological evaluation according to in vitro results. After that, CCl4-induced animal model was used to evaluate in vivo anti-hepatotoxicity activity. Compound 5a with 52.99%, 59.3%, 79.34% and 5b with 52.16%, 57.65%, 75.10% revealed to be most promising for reduction in level of SGPT, SGOT and ALKP, respectively. Moreover, it was also observed that the compound 5a with 411.01%, 53.39% and 5b with 378.63%, 48.9% level of albumin and total protein were respectively. The induced-fit docking results of the compounds 5a and 5b reveal some essential binding information and exhibited desirable ADME properties, and obeyed Lipinski's rule of five. In addition, molecular dynamics studies for 100 ns further confirm the protein-ligand complex's stability, supporting the in vitro and in vivo data, and help in establishing the SAR of synthesized compounds. Two compounds, 5a and 5 b, exhibited higher anti-hepatotoxic activity than the standard drug silymarin. Communicated by Ramaswamy H. Sarma
Additional file 1 of Frail patients who fall and their risk on major bleeding and intracranial haemorrhage. Outcomes from the Fall and Syncope Registry
Creators: name: Zwart, LAR
name: Germans, T
name: Vogels, R
name: Simsek, S
name: Hemels, MEW
name: Jansen, RWMM
Publisher: name: figshare
Year: 2023
Subjects: subject: Medicine
subject: Cell Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Cancer
subject: Science Policy
classificationCode: 111714
subject: Mental Health
classificationCode: 110309
subject: Infectious Diseases
subject: FOS: Health sciences

description: Supplementary Material 1
On the mean value of symmetric square L-functions
Creators: name: Balkanova, Olga
name: Frolenkov, Dmitry
Publisher: name: arXiv
Year: 2016
Subjects: subject: Number Theory (math.NT)
subject: Classical Analysis and ODEs (math.CA)
subject: FOS: Mathematics

description: This paper studies the first moment of symmetric-square $L$-functions at the critical point in the weight aspect. Asymptotics with the best known error term $O(k^{-1/2})$ were obtained independently by Fomenko in 2005 and by Sun in 2013. We prove that there is an extra main term of size $k^{-1/2}$ in the asymptotic formula and show that the remainder term decays exponentially in $k$. The twisted first moment was evaluated asymptotically by Ng Ming Ho with the error bounded by $lk^{-1/2+ε}$. We improve the error bound to $l^{5/6+ε}k^{-1/2+ε}$ unconditionally and to $l^{1/2+ε}k^{-1/2}$ under the Lindelöf hypothesis for quadratic Dirichlet $L$-functions.
description: 30 pages; Remark on page 4 and new reference added
Determination of the optimum toll level for Jagorawi toll road in Indonesia
Creators: name: Batubara, Harris Hasudungan.
Publisher: name: Monash University
Year: 2022

description: This thesis was scanned from the print manuscript for digital preservation and is copyright the author.
 Researchers can access this thesis by asking their local university, institution or public library to
 make a request on their behalf. Monash staff and postgraduate students can use the link in the References field.
The orbital distribution of trans-Neptunian objects beyond 50 au
Creators: name: Nesvorny, David
name: Vokrouhlicky, David
name: Roig, Fernando
Publisher: name: arXiv
Year: 2016
Subjects: subject: Earth and Planetary Astrophysics (astro-ph.EP)
subject: FOS: Physical sciences

description: The dynamical structure of the Kuiper belt beyond 50 au is not well understood. Here we report results of a numerical model with long-range, slow and grainy migration of Neptune. The model implies that bodies scattered outward by Neptune to semimajor axes a>50 au often evolve into resonances which subsequently act to raise the perihelion distances of orbits to q>40 au. The implication of the model is that the orbits with 5040 au should cluster near (but not in) the resonances with Neptune (3:1 at a=62.6 au, 4:1 at a=75.9 au, 5:1 at a=88.0 au, etc.). The recent detection of several distant Kuiper Belt Objects (KBOs) near resonances is consistent with this prediction, but it is not yet clear whether the orbits are really non-resonant as our model predicts. We estimate from the model that there should presently be ~1600-2400 bodies at the 3:1 resonance and ~1000-1400 bodies at the 4:1 resonance (for q>40 au and diameters D>100 km). These results favorably compare with the population census of distant KBOs inferred from existing observations.
description: ApJ Letters
Experimental, and theoretical investigations on the structure and vibrational spectral analysis of oxalate complex of nicotinamide and computational scrutiny against prostate cancer
Creators: name: E., Arockia Jeya Yasmi Prabha
name: R., Sangeetha
name: P., Sangavi
name: K., Langeswaran
name: S., Athimoolam
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Cell Biology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences

description: This investigation involved oxalate salt of B vitamin experimental and theoretical spectra analysis. Docking studies and molecular dynamic simulation analysis were also carried out against the target protein involved in prostate cancer. At room temperature, the infra-red and Raman spectra results were chronicled in at range 4000–400 cm–1. In the crystalline environment along with the shifting of some spectral bands, the effect of hydrogen bonding force is detected. HF and DFT/B3LYP were employed to estimate the optimized geometry with the basis set of 6-311++G (d,p). Hypothetical wavenumbers presented a respectable agreement with the investigational values. The various genuine modes are observed and some of them are perceived in the experimentally observed spectra. Hyperconjugative interaction and intramolecular charge transfer (ICT) values were calculated with the help of the natural bond orbital (NBO) study. HOMO-LUMO plot technique was employed to examine the compound's hardness of chemical, chemical potential, and electro-negativity. The molecules' bioactivity and therapeutic efficacy were estimated through the lower band gap value of the frontier orbitals. In silico analysis was performed, to analyse the therapeutic efficacy of oxalate complex of Nicotinamide against Prostate cancer through Molecular docking and dynamics study. ADME/T analysis revealed the pharmaceutical efficacy of the oxalate complex of Nicotinamide by satisfying Lipinski’s Rule of Five, BBB, HOA, etc.Highlights of the workComparative studies of theoretical and experimental vibrational spectra of the B vitaminTheoretical wavenumber numbers were showed good agreement with the experimental valuesTheoretical bond lengths and bond angles were slightly deviated from the experimental valuesTheoretical calculations shows that B vitamin exists in a CocrystalNumber of modes calculated from the factor group method is match with the theoretical method Comparative studies of theoretical and experimental vibrational spectra of the B vitamin Theoretical wavenumber numbers were showed good agreement with the experimental values Theoretical bond lengths and bond angles were slightly deviated from the experimental values Theoretical calculations shows that B vitamin exists in a Cocrystal Number of modes calculated from the factor group method is match with the theoretical method Communicated by Ramaswamy H. Sarma
Extended field-of-view in a lensless endoscope using an aperiodic multicore fiber
Creators: name: Sivankutty, Siddharth
name: Tsvirkun, Viktor
name: Bouwmans, Géraud
name: Kogan, Dani
name: Oron, Dan
name: Andresen, Esben Ravn
name: Rigneault, Hervé
Publisher: name: arXiv
Year: 2016
Subjects: subject: Optics (physics.optics)
subject: FOS: Physical sciences

description: We investigate lensless endoscopy using coherent beam combining and aperiodic multicore fibers (MCF). We show that diffracted orders, inherent to MCF with periodically arranged cores, dramatically reduce the field of view (FoV) and that randomness in MCF core positions can increase the FoV up to the diffraction limit set by a single fiber core, while maintaining MCF experimental feasibility. We demonstrate experimentally pixelation-free lensless endoscopy imaging over a 120 micron FoV with an aperiodic MCF designed with widely spaced cores. We show that this system is suitable to perform beam scanning imaging by simply applying a tilt to the proximal wavefront.
description: Submitted to Optics Letters
Additional file 2 of Frail patients who fall and their risk on major bleeding and intracranial haemorrhage. Outcomes from the Fall and Syncope Registry
Creators: name: Zwart, LAR
name: Germans, T
name: Vogels, R
name: Simsek, S
name: Hemels, MEW
name: Jansen, RWMM
Publisher: name: figshare
Year: 2023
Subjects: subject: Medicine
subject: Cell Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Cancer
subject: Science Policy
classificationCode: 111714
subject: Mental Health
classificationCode: 110309
subject: Infectious Diseases
subject: FOS: Health sciences

description: Supplementary Material 2
LO Peg: surface differential rotation, flares, and spot-topographic evolution
Creators: name: Karmakar, Subhajeet
name: Pandey, J. C.
name: Savanov, I. S.
name: Taş, G.
name: Pandey, S. B.
name: Misra, K.
name: Joshi, S.
name: Dmitrienko, E. S.
name: Sakamoto, T.
name: Gehrels, N.
name: Okajima, T.
Publisher: name: arXiv
Year: 2016
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: Using the wealth of ~24 yr multiband data, we present an in-depth study of the star-spot cycles, surface differential rotations (SDR), optical flares, evolution of star-spot distributions, and coronal activities on the surface of young, single, main-sequence, ultrafast rotator (UFR) LO Peg. From the long-term V -band photometry, we derive rotational period of LO Peg to be 0.4231 +/- 0.0001 d. Using the seasonal variations on the rotational period, the SDR pattern is investigated, and shows a solar-like pattern of SDR. A cyclic pattern with period of ~2.7 yr appears to be present in rotational period variation. During the observations, 20 optical flares are detected with a flare frequency of 1 flare per two days and with flare energy of 10^{31-34} erg. The surface coverage of cool spots is found to be in the range of 9-26 per cent. It appears that the high- and low-latitude spots are interchanging their positions. Quasi-simultaneous observations in X-ray, UV, and optical photometric bands show a signature of an excess of X-ray and UV activities in spotted regions.
description: 20 pages, 13 figures, 4 tables, Published in Monthly Notices of the Royal Astronomical Society
Digital control in the processing industries
Creators: name: Mak, Ying C.
Publisher: name: Monash University
Year: 2022

description: This thesis was scanned from the print manuscript for digital preservation and is copyright the author.
 Researchers can access this thesis by asking their local university, institution or public library to
 make a request on their behalf. Monash staff and postgraduate students can use the link in the References field.
Tuning the structural and catalytic properties of copper(II)-based complexes containing pyridine-2,6-diimines
Creators: name: Ibrahim, Mohamed M.
name: Shaban, Shaban Y.
name: Amer, Ahmed A.
name: Mohamed, Soha F.
name: Fathy, Ahmed M.
name: Al-Harbi, Sami A.
name: Ramadan, Abd El-Motaleb M.
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Molecular Biology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Computational Biology

description: Four mononuclear penta coordinated copper(II) chelates, [CuLnBr2] nH2O, containing the tridentate neutral ligands, pyridine-2,6-diimine (Ln), were prepared via the template technique. Analytical and several physicochemical methods have been used to characterize the prepared metal chelates. Square-pyramidal stereochemistry was described to the current copper(II) complexes. DFT technique has been applied to optimize the structure of the running diimines and their corresponding copper-based compounds. Ligand substitution study performed to link the catalytic potency of the candidate oxidase mimics and their lability characters. Spectral investigations reveal that nature of substituents of the chelated ligands effectively tuning the Lewis acidity of copper(II) centers. Biomimetics of redox proteins specifically containing copper were examined towards the aerobic oxidation of polyphenol. Kinetic studies with the stopped-follow technique showed a close association between the Lewis acidity of the copper(II) nuclei of the prepared chelates and their oxidase-like activity. The catalytic activity of the natural enzyme (catechol oxidase from sweet potatoes) measured and compared with that for the present CuII chelates. The thermodynamic parameter drive force (ΔG° or λ) of the performed oxidation processes was determined from the values of redox potential of the chemical species involved in these catalytic reactions. The proposed catalytic reactions pathways have been discussed based on the outcomes of the kinetic investigations. Communicated by Ramaswamy H. Sarma
Additional file 3 of Frail patients who fall and their risk on major bleeding and intracranial haemorrhage. Outcomes from the Fall and Syncope Registry
Creators: name: Zwart, LAR
name: Germans, T
name: Vogels, R
name: Simsek, S
name: Hemels, MEW
name: Jansen, RWMM
Publisher: name: figshare
Year: 2023
Subjects: subject: Medicine
subject: Cell Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Cancer
subject: Science Policy
classificationCode: 111714
subject: Mental Health
classificationCode: 110309
subject: Infectious Diseases
subject: FOS: Health sciences

description: Supplementary Material 3
Investigations on the binding specificity of β-galactoside analogues with human galectin-1 using molecular dynamics simulations
Creators: name: Blessy, J. Jino
name: Shanmugam, N. R. Siva
name: Veluraja, K.
name: Gromiha, M. Michael
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Developmental Biology
subject: Cancer

description: Galectin-1 (Gal-1) is the first member of galectin family, which has a carbohydrate recognition domain, specifically binds towards β-galactoside containing oligosaccharides. Owing its association with carbohydrates, Gal-1 is involved in many biological processes such as cell signaling, adhesion and pathological pathways such as metastasis, apoptosis and increased tumour cell survival. The development of β-galactoside based inhibitors would help to control the Gal-1 expression. In the current study, we carried out molecular dynamics (MD) simulations to examine the structural and dynamic behaviour Gal-1-thiodigalactoside (TDG), Gal-1-lactobionic acid (LBA) and Gal-1-beta-(1→6)-galactobiose (G16G) complexes. The analysis of glycosidic torsional angles revealed that β-galactoside analogues TDG and LBA have a single binding mode (BM1) whereas G16G has two binding modes (BM1 and BM2) for interacting with Gal-1 protein. We have computed the binding free energies for the complexes Gal-1-TDG, Gal-1-LBA and Gal-1-G16G using MM/PBSA and are −6.45, −6.22 and −3.08 kcal/mol, respectively. This trend agrees well with experiments that the binding of Gal-1 with TDG is stronger than LBA. Further analysis revealed that the interactions due to direct and water-mediated hydrogen bonds play a significant role to the structural stability of the complexes. The result obtained from this study is useful to formulate a set of rules and derive pharmacophore-based features for designing inhibitors against galectin-1. Communicated by Ramaswamy H. Sarma
Spectral Bounds for the Ising Ferromagnet on an Arbitrary Given Graph
Creators: name: Saade, Alaa
name: Krzakala, Florent
name: Zdeborová, Lenka
Publisher: name: arXiv
Year: 2016
Subjects: subject: Disordered Systems and Neural Networks (cond-mat.dis-nn)
subject: Mathematical Physics (math-ph)
subject: FOS: Physical sciences

description: We revisit classical bounds of M. E. Fisher on the ferromagnetic Ising model, and show how to efficiently use them on an arbitrary given graph to rigorously upper-bound the partition function, magnetizations, and correlations. The results are valid on any finite graph, with arbitrary topology and arbitrary positive couplings and fields. Our results are based on high temperature expansions of the aforementioned quantities, and are expressed in terms of two related linear operators: the non-backtracking operator and the Bethe Hessian. As a by-product, we show that in a well-defined high-temperature region, the susceptibility propagation algorithm converges and provides an upper bound on the true spin-spin correlations.
description: 17 pages, 1 figure
The gyraton solutions on generalized Melvin universe with cosmological constant
Creators: name: Kadlecová, Hedvika
name: Krtouš, Pavel
Publisher: name: arXiv
Year: 2016
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: We present and analyze new exact gyraton solutions of algebraic type II on generalized Melvin universe of type D which admit non-vanishing cosmological constant $Λ$. We show that it generalizes both, gyraton solutions on Melvin and on direct product spacetimes. When we set $Λ= 0$ we get solutions on Melvin spacetime and for $Σ= 1$ we obtain solutions on direct product spacetimes. We demonstrate that the solutions are member of the Kundt family of spacetimes as its subcases. We show that the Einstein equations reduce to a set of equations on the transverse 2-space. We also discuss the polynomial scalar invariants which are non-constant in general but constant for sub-solutions on direct product spacetimes.
description: 16 pages, 7 figures, Workshop proceeding RAGtime 2010-14 on black holes and neutron stars
Basis adaptation and domain decomposition for steady partial differential equations with random coefficients
Creators: name: Tipireddy, Ramkrishna
name: Stinis, Panos
name: Tartakovsky, Alexandre
Publisher: name: arXiv
Year: 2016
Subjects: subject: Numerical Analysis (math.NA)
subject: FOS: Mathematics
subject: 65C20, 65N55, 41A10

description: We present a novel approach for solving steady-state stochastic partial differential equations (PDEs) with high-dimensional random parameter space. The proposed approach combines spatial domain decomposition with basis adaptation for each subdomain. The basis adaptation is used to address the curse of dimensionality by constructing an accurate low-dimensional representation of the stochastic PDE solution (probability density function and/or its leading statistical moments) in each subdomain. Restricting the basis adaptation to a specific subdomain affords finding a locally accurate solution. Then, the solutions from all of the subdomains are stitched together to provide a global solution. We support our construction with numerical experiments for a steady-state diffusion equation with a random spatially dependent coefficient. Our results show that highly accurate global solutions can be obtained with significantly reduced computational costs.
description: 26 pages, 13 figures
A high performance digital signal processor system (for video coding and signal processing applications)
Creators: name: Lim, Hock Gin.
Publisher: name: Monash University
Year: 2022

description: This thesis was scanned from the print manuscript for digital preservation and is copyright the author.
 Researchers can access this thesis by asking their local university, institution or public library to
 make a request on their behalf. Monash staff and postgraduate students can use the link in the References field.
Aging and linear response in the Hébraud-Lequeux model for amorphous rheology
Creators: name: Sollich, Peter
name: Olivier, Julien
name: Bresch, Didier
Publisher: name: arXiv
Year: 2016
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: FOS: Physical sciences

description: We analyse the aging dynamics of the Hébraud-Lequeux model, a self-consistent stochastic model for the evolution of local stress in an amorphous material. We show that the model exhibits initial-condition dependent freezing: the stress diffusion constant decays with time as $D\sim 1/t^2$ during aging so that the cumulative amount of memory that can be erased, which is given by the time integral of $D(t)$, is finite. Accordingly the shear stress relaxation function, which we determine in the long-time regime, only decays to a plateau and becomes progressively elastic as the system ages. The frequency-dependent shear modulus exhibits a corresponding overall decay of the dissipative part with system age, while the characteristic relaxation times scale linearly with age as expected.
title: Trauma and Resilience among Direct Care Workers in Nursing Homes: Coping Through COVID-19
Creators: name: Boakye, Alfred
Publisher: name: Georgia State University
Year: 2024

description: Direct care workers (DCWs) face persistent challenges with low pay, few benefits, heavy workloads, and limited access to paid leave. COVID-19 have increased the precarity of the long-term care system and has left many direct care workers more vulnerable. With layered risks of systemic racism, COVID-related risks, and political turmoil on top of socio-economic challenges, direct care workers, older adults, and those with disabilities experience high risks to health and well-being. Using the socio-ecological framework, the aim of this exploratory study was two-fold; (1) examine DCWs understanding of trauma and how it affects their ability to provide care, and (2) understand the strategies and supports DCWs and organizations use to cope with trauma. Using semi-structured interviews with 25 certified nursing assistants, the findings demonstrate the impact of COVID-19, work stress, and systemic inefficiencies that negatively impact care work and examined strategies to support resilience-building and ultimately empowerment practices.
Additional file 1 of A novel interface between the N-terminal and coiled-coil domain of STAT1 functions in an auto-inhibitory manner
Creators: name: Remling, Linus
name: Gregus, Anke
name: Wirths, Oliver
name: Meyer, Thomas
name: Staab, Julia
Publisher: name: figshare
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Genetics
subject: Molecular Biology
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: Computational Biology

description: Additional file 1: Supplemental Fig. 1. Uncropped, original Western blot data using α-pSTAT1 and α-STAT1 antibodies, corresponding to Fig. 1.
Inhibitory activity of marine sponge metabolites on SARS-CoV-2 RNA dependent polymerase: virtual screening and molecular dynamics simulation
Creators: name: Ali, Hani S. H. Mohammed
name: Altayb, Hisham N.
name: Firoz, Ahmad
name: Bayoumi, Ahmed Atef Mohamed
name: Omri, Abdelfatteh El
name: Chaieb, Kamel
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Cancer
subject: Inorganic Chemistry

description: Marine species are known as rich sources of metabolites involved mainly in the pharmaceutical industry. This study aimed to evaluate the effect of biologically active compounds in the marine sponge on the SARS-CoV-2 RNA-dependent-RNA polymerase protein (RdRp) using the in-silico method. A total of 51 marine compounds were checked for their possible interaction with SARS-CoV-2 RdRp using Maestro interface for molecular docking, molecular dynamic (MD) simulation, and MM/GBSA method to estimate compounds binding affinities. Among the 51 compounds screened in this study, two (mycalamide A, and nakinadine B) exhibited the lowest docking energy and best interaction. Among these compounds, mycalamide A was identified as a potent inhibitor of SARS-CoV-2 RdRp that showed the best and stable interaction during molecular dynamic simulation, with residues (Asp760 and Asp761) found in the catalytic domain of RdRp. The analysis through MM/GBSA for molecular dynamic simulation results revealed binding energy −59.7 ± 7.18 for Mycalamide A and −56 ± 10.55 for Nakinadine B. These results elucidate the possible use of mycalamide A for treating coronavirus disease. Communicated by Ramaswamy H. Sarma
Exponential Fourier collocation methods for solving first-order differential equations
Creators: name: Wang, Bin
name: Wu, Xinyuan
name: Meng, Fanwei
name: Fang, Yonglei
Publisher: name: arXiv
Year: 2016
Subjects: subject: Numerical Analysis (math.NA)
subject: FOS: Mathematics

description: In this paper, a novel class of exponential Fourier collocation methods (EFCMs) is presented for solving systems of first-order ordinary differential equations. These so-called exponential Fourier collocation methods are based on the variation-of-constants formula, incorporating a local Fourier expansion of the underlying problem with collocation methods. We discuss in detail the connections of EFCMs with trigonometric Fourier collocation methods (TFCMs), the well-known Hamiltonian Boundary Value Methods (HBVMs), Gauss methods and Radau IIA methods. It turns out that the novel EFCMs are an essential extension of these existing methods. We also analyse the accuracy in preserving the quadratic invariants and the Hamiltonian energy when the underlying system is a Hamiltonian system. Other properties of EFCMs including the order of approximations and the convergence of fixed-point iterations are investigated as well. The analysis given in this paper proves further that EFCMs can achieve arbitrarily high order in a routine manner which allows us to construct higher-order methods for solving systems of first-order ordinary differential equations conveniently. We also derive a practical fourth-order EFCM denoted by EFCM(2,2) as an illustrative example. The numerical experiments using EFCM(2,2) are implemented in comparison with an existing fourth-order HBVM, an energy-preserving collocation method and a fourth-order exponential integrator in the literature. The numerical results demonstrate the remarkable efficiency and robustness of the novel EFCM(2,2).
Modelling of brown stock washing and screening at Burnie Mill (A.P.P.M.)
Creators: name: Brown, Richard A. .
Publisher: name: Monash University
Year: 2022

description: This thesis was scanned from the print manuscript for digital preservation and is copyright the author.
 Researchers can access this thesis by asking their local university, institution or public library to
 make a request on their behalf. Monash staff and postgraduate students can use the link in the References field.
Supplementary document for Accurate modeling of ultrafast nonlinear pulse propagation in multimode gain fiber - 6594627.pdf
Creators: name: Chen, Yi-Hao
name: Haig, Henry
name: Wu, Yuhang
name: Ziegler, Zachary
name: Wise, Frank
Publisher: name: Optica Publishing Group
Year: 2023
Subjects: Uncategorized

description: Supplement 1
Additional file 1 of Process, structural, and outcome quality indicators to support perioperative opioid stewardship: a rapid review
Creators: name: Thomas, C.
name: Ayres, M.
name: Pye, K.
name: Yassin, D.
name: Howell, S. J.
name: Alderson, S.
Publisher: name: figshare
Year: 2023
Subjects: subject: Medicine
subject: Pharmacology
classificationCode: 39999
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Sociology
subject: FOS: Sociology
classificationCode: 69999
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Science Policy

description: Additional file 1: Supplementary materials 1. Extracted quality indicators
Identification of mungbean yellow mosaic India virus (MYMIV) Rep interacting partners using phage display and influence of Arabidopsis thaliana MCM3 on geminivirus DNA replication
Creators: name: Rizvi, Irum
name: Hisamuddin, Malik
name: Malik, Ajamaluddin
name: Khan, Rizwan Hasan
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Molecular Biology
subject: Biotechnology
subject: Evolutionary Biology
subject: Ecology
subject: Cancer
subject: 111714 Mental Health
subject: FOS: Health sciences
subject: 110309 Infectious Diseases
subject: Plant Biology
subject: 60506 Virology

description: Geminiviruses consist of a single-stranded DNA genome that replicates by a rolling circle (RCR) and recombination-dependent (RDR) modes of replication. The AC1 or Rep is the indispensable viral protein required for the RCR mode of replication. Since these viruses encode only a few proteins, they depend on several host factors for replication, transcription, and other physiological processes. To get insights into the repertoire of host factors influencing the replication of geminiviruses, we performed phage display experiments which led to the identification of putative mungbean yellow mosaic India virus (MYMIV) Rep interacting host proteins. These proteins might directly or indirectly participate in geminivirus biology. MCM3 was one of the Rep-interacting partners obtained in the phage display results. Using bimolecular fluorescence complementation (BiFC), the interaction of the MYMIV Rep with Arabidopsis thaliana MCM3 (AtMCM3) was confirmed. We report the involvement of AtMCM3 in the replication of MYMIV DNA through an ex vivo system. The physiological relevance of the interaction between AtMCM3 and MYMIV Rep is reflected by yeast replication assay. Communicated by Ramaswamy H. Sarma
A generalized two-component model of solar wind turbulence and ab initio diffusion mean free paths and drift lengthscales of cosmic rays
Creators: name: Wiengarten, Tobias
name: Oughton, Sean
name: Engelbrecht, Eugene
name: Fichtner, Horst
name: Kleimann, Jens
name: Scherer, Klaus
Publisher: name: arXiv
Year: 2016
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: Space Physics (physics.space-ph)
subject: FOS: Physical sciences

description: We extend a two-component model for the evolution of fluctuations in the solar wind plasma so that it is fully three-dimensional (3D) and also coupled self-consistently to the large-scale magnetohydrodynamic (MHD) equations describing the background solar wind. The two classes of fluctuations considered are a high-frequency parallel-propagating wave-like piece and a low-frequency quasi-two-dimensional component. For both components, the nonlinear dynamics is dominanted by quasi-perpendicular spectral cascades of energy. Driving of the fluctuations, by, for example, velocity shear and pickup ions, is included. Numerical solutions to the new model are obtained using the Cronos framework, and validated against previous simpler models. Comparing results from the new model with spacecraft measurements, we find improved agreement relative to earlier models that employ prescribed background solar wind fields. Finally, the new results for the wave-like and quasi-two-dimensional fluctuations are used to calculate ab initio diffusion mean free paths and drift lengthscales for the transport of cosmic rays in the turbulent solar wind.
description: ApJ, accepted
Triggering filamentation using turbulence
Creators: name: Eeltink, D.
name: Berti, N.
name: Marchiando, N.
name: Hermelin, S.
name: Gateau, J.
name: Brunetti, M.
name: Wolf, J. P.
name: Kasparian, J.
Publisher: name: arXiv
Year: 2016
Subjects: subject: Optics (physics.optics)
subject: Pattern Formation and Solitons (nlin.PS)
subject: FOS: Physical sciences

description: We study the triggering of single filaments due to turbulence in the beam path for a laser of power below the filamenting threshold. Turbulence can act as a switch between the beam not filamenting and producing single filaments. This 'positive' effect of turbulence on the filament probability, combined with our observation of off-axis filaments suggests the underlying mechanism is modulation instability caused by transverse perturbations. We hereby experimentally explore the interaction of modulation instability and turbulence, commonly associated with multiple-filaments, in the single-filament regime.
description: 5 pages, 6 figures
Additional file 2 of Process, structural, and outcome quality indicators to support perioperative opioid stewardship: a rapid review
Creators: name: Thomas, C.
name: Ayres, M.
name: Pye, K.
name: Yassin, D.
name: Howell, S. J.
name: Alderson, S.
Publisher: name: figshare
Year: 2023
Subjects: subject: Medicine
subject: Pharmacology
classificationCode: 39999
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Sociology
subject: FOS: Sociology
classificationCode: 69999
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Science Policy

description: Additional file 2: Supplementary materials 2. Characteristics of papers
Model potential for the description of metal/organic interface states
Creators: name: Armbrust, N.
name: Schiller, F.
name: Güdde, J.
name: Höfer, U.
Publisher: name: arXiv
Year: 2016
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: We present an analytical one-dimensional model potential for the description of electronic interface states that form at the interface between a metal surface and flat-lying adlayers of $π$-conjugated organic molecules. The model utilizes graphene as a universal representation of these organic adlayers. It predicts the energy position of the interface state as well as the overlap of its wave function with the bulk metal without free fitting parameters. We show that the interface state's energy depends systematically on the bond distance between the carbon backbone of the adayers and the metal. The general applicability and robustness of the model is demonstrated by a comparison of the calculated energies with numerous experimental results for a number of flat-lying organic molecules on different closed-packed metal surfaces that cover a large range of bond distances.
description: 6 pages, 3 figures