cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
RESEARCH ON LIPSTICK USAGE TRENDS AMONG VIETNAMESE GEN Z YOUTH
Creators: name: NGUYEN THI VAN ANH
name: PHAM THANH THUY
name: NGUYEN CHIEU KHANH
Publisher: name: Zenodo
Year: 2024
Subjects: Lipstick, Lipstick Usage Trends, Gen Z, Vietnamese Youth.

description: Abstract

Research article on lipstick usage trends of Vietnamese youth. Using qualitative research methods combined with a survey of 276 young people in provinces and cities of Vietnam, the study has shown the main trends in the selection and use of lipstick by young people today. You choose and use lipstick based on many criteria such as suitability to your own preferences, depending on the occasions of using lipstick. Besides, the trend of using lipstick of young people is also influenced by celebrities, people around them and young people often use lipstick according to trends, use lipstick for many purposes and have a variety of designs, styles, colors and origins of each type of lipstick. At the same time, the study also points out the concerns of young people in choosing and using lipstick lines, discovering the future trends in lipstick use that they are aiming for, such as choosing lipstick lines of natural origin, safe, benign and environmentally friendly. From the analysis of lipstick usage trends of young people, the research team proposed some exchanges and discussions to promote the lipstick market in Vietnam to be able to meet the trends and needs of young Vietnamese people.
Additional file 16 of CK2 alpha prime and alpha-synuclein pathogenic functional interaction mediates synaptic dysregulation in huntington’s disease
Creators: name: Yu, Dahyun
name: Zarate, Nicole
name: White, Angel
name: Coates, De’jah
name: Tsai, Wei
name: Nanclares, Carmen
name: Cuccu, Francesco
name: Yue, Johnny S.
name: Brown, Taylor G.
name: Mansky, Rachel H.
name: Jiang, Kevin
name: Kim, Hyuck
name: Nichols-Meade, Tessa
name: Larson, Sarah N.
name: Gundry, Katherine
name: Zhang, Ying
name: Tomas-Zapico, Cristina
name: Lucas, Jose J.
name: Benneyworth, Michael
name: Öz, Gülin
name: Cvetanovic, Marija
name: Araque, Alfonso
name: Gomez-Pastor, Rocio
Publisher: name: figshare
Year: 2022
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional file 16. CK2a’ haploinsufficiency decreased the levels of pS129-α-syn. a, Representative pS129-α-syn IF images (D1R1R antibody) in the dorsal striatum of 12 months old WT, zQ175 and zQ175:CK2α’(+/-), Scale bar, 20 μm. b, pS129-α-syn and CK2α’ immunoblotting of striatum samples from 12-month-old zQ175 and zQ175:CK2α’(+/-) mice (n = 3 mice/group). c, Levels of pS129-α-syn and CK2α’ were calculated using Image J from immunoblotting images in a and showed a parallel decrease of pS129-α-syn and CK2α’ levels in zQ175:CK2α’(+/-) compared to zQ175 mice. Error bars represent mean ± SEM. Statistical analyses were conducted by Student’s t-test. p-values <0.05 are indicated (n=3 mice/genotype).
Decay rates of quarkonia with NRQCD formalism using spectroscopic parameters of potential models
Creators: name: Rai, Ajay Kumar
name: Pandya, J N
name: Vinodkumar, P C
Publisher: name: arXiv
Year: 2009
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: Decay rates of quarkonia are studied within the framework of NRQCD formalism. The basic parameters of the formalism have been obtained from different potential schemes studied for the spectra of quarkonia. We estimate the heavy quarkonia mass spectra, radiative and leptonic widths and compare them with other contemporary theoretical approaches and experimental results.
description: 15 pages
In silico evaluation of usnic acid derivatives to discover potential antibacterial drugs against DNA gyrase B and DNA topoisomerase IV
Creators: name: Roney, Miah
name: Issahaku, Abdul Rashid
name: Forid, Md Shaekh
name: Huq, A. K. M. Moyeenul
name: Soliman, Mahmoud E. S.
name: Aluwi, Mohd Fadhlizil Fasihi Mohd
name: Tajuddin, Saiful Nizam
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences

description: Due to the rising increase in infectious diseases brought on by bacteria and anti-bacterial drug resistance, antibacterial therapy has become difficult. The majority of first-line antibiotics are no longer effective against numerous germs, posing a new hazard to global human health in the 21st century. Through the drug-likeness screening, 184 usnic acid derivatives were selected from an in-house database of 340 usnic acid compounds. The pharmacokinetics (ADMET) prediction produced fifteen hit compounds, of which the lead molecule was subsequently obtained through a molecular docking investigation. The lead compounds, labelled compound-277 and compound-276, respectively, with the substantial binding affinity towards the enzymes were obtained through further docking simulation on the DNA gyrase and DNA topoisomerase proteins. Additionally, molecular dynamic (MD) simulation was performed for 300 ns on the lead compounds in order to confirm the stability of the docked complexes and the binding pose discovered during docking tests. Due to their intriguing pharmacological characteristics, these substances may be promising therapeutic candidate for anti-bacterial medication. Communicated by Ramaswamy H. Sarma
Monographie sur le tolérancement modal
Creators: name: Samper, Serge
Publisher: name: arXiv
Year: 2009
Subjects: subject: Computational Physics (physics.comp-ph)
subject: FOS: Physical sciences

description: In order to analyze the geometric quality of any surface we have defined a shape language that can be used in tolerancing and metrology softwares. Modal parameters defines a shape langage allowing to describe geometric variations associating undulation, form, position, orientation and dimensions. It defines a geometric basis, easy to use by a simple user or deeply by an expert. The principal properties of this basis are the exhaustiveness and the metric of the parameters. We can use either natural mode shapes that can be modified by technological mode shapes.
Cultural heritage planning : a new perspective
Creators: name: Waight, S
Publisher: name: University Of Tasmania
Year: 2023

description: Local government plays a vital role in the conservation of cultural heritage. At one level it has a strategic planning role to develop cultural heritage policy to guide local area responses to heritage issues. It has an educative role to generate activities and programs to promote a greater understanding of cultural heritage. It also has the protective powers of statutory regulations; planning schemes and legislation. Whereas in principle, planning schemes provide the best opportunity for front line defence against poor cultural heritage practices, the reality is that they do not always provide an adequate level of protection. Some Tasmanian planning schemes have comprehensive provisions and current heritage lists, others are poorly drafted and vague, while some contain no cultural heritage provisions whatsoever. In recent years, state legislation has strengthened the role of local government to protect cultural heritage places through the introduction of the Resource !'1:1nagement and Planning System (RMPS) in 1993 and the proclamation of the Historic Culturnl Heritage Act 1995 (HCHA) in February 1997. However, it has also introduced additional and complex administrative procedures. Consequently, local government does not always have the best mechanisms for effective cultural heritage planning.
On the various origins of close-in extrasolar planets
Creators: name: Marchi, S.
name: Ortolani, S.
name: Nagasawa, M.
name: Ida, S.
Publisher: name: arXiv
Year: 2009
Subjects: subject: Earth and Planetary Astrophysics (astro-ph.EP)
subject: FOS: Physical sciences

description: The extrasolar planets (EPs) so far detected are very different to the planets in our own Solar System. Many of them have Jupiter-like masses and close-in orbits (the so-called hot planets, HPs), with orbital periods of only a few days. In this paper, we present a new statistical analysis of the observed EPs, focusing on the origin of the HPs. Among the several HP formation mechanisms proposed so far, the two main formation mechanisms are type II migration and scattering. In both cases, planets form beyond the so-called snow-line of the protoplanetary disk and then migrate inward due to angular momentum and energy exchange with either the protoplanetary disk or with companion planets. Although theoretical studies produce a range of observed features, no firm correspondence between the observed EPs and models has yet been established. In our analysis, by means of principal component analysis and hierarchical cluster analysis, we find convincing indications for the existence of two types of HPs, whose parameters reflect physical mechanisms of type II migration and scattering.
description: 5 pages, 4 figures; Accepted on 2009 January 3 by MNRAS Letters
Studies on the structure and interaction of bovine k-casein, using fluorometric techniques
Creators: name: Clarke, Reginald
Publisher: name: University of British Columbia
Year: 2011

description: The structure and interactions of κ -casein were studied using spectrofluorometric techniques including, fluorescent yield, emission wavelength, energy transfer, and fluorescence depolarisation. The effect of denaturing factors, temperature, sodium dodecyl sulfate, ionic strength, urea and pH, on the fluorescent characteristics of a conjugate of κ -casein and 8-anilinonaphthalene-l-sulfonate are indicative of structural changes in the protein. The importance of hydrogen bonding and hydrophobic interactions for the maintenance of the structural integrity of the molecule have been indicated. The structural changes are effected without the use of disulfide reducing reagents. The dissociating agents, urea and sodium dodecyl sulfate, had very significant effects upon the conformation of the protein. Temperature induced changes were related to the bonding which maintained the conformation. Completely dissociated or random structures did not exist except at high pH, in 8M urea, or in 0.005M sodium dodecyl sulfate. The interaction between α[sub s 1⁻] and κ -casein was studied by the fluorescence polarisation technique. The thermodynamic parameters Δ S and Δ H increased with temperature. Δ S and Δ H were positive. Δ F was negative and decreased further with increasing temperature. These data suggest that the ease or spontaneity of interaction increases with temperature, and that the interaction is hydrophobic in nature. The results of the interaction studies at 40 and 50°C demonstrated a 1:1 mole ratio for the interacting proteins. Blocking of the sites for electrostatic interaction, the negative charges on the α[sub s 1⁻] -casein, by polyethylimine did not inhibit the reaction or affect the interaction ratio. It was therefore concluded that α[sub s 1⁻] and κ -caseins interact through hydrophobic interactions in a 1:1 mole ratio. Kappa-casein was modified in a stepwise manner by (1) carbamylation of the ε -amino groups of lysine with potassium isocyanate (2) esterification of the free carboxylic groups using the carbodiimide method and glycine methyl ester, structural changes in the κ -casein, thus modified, were followed by measuring changes in fluorescent properties of a conjugate of the proteins with 8-ahilino-naphthalene-1-sulfonate. These structural changes were indicative of decreasing hydrophobicity of the caseins and loss of stabilising ability of α[sub s 1⁻] -casein against calcium ion precipitation. It is concluded that the charged groups are responsible for the maintenance of the protein structure, but may not be directly related to stabilising ability or interaction with α[sub s 1⁻] -casein.
In silico study of interaction of (ZnO)12 nanocluster to glucose oxidase-FAD in absence and presence of glucose
Creators: name: Verma, Awadhesh Kumar
name: Sharma, Shilpa
name: Jayaraj, Abhilash
name: Deep, Shashank
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Chemical Sciences not elsewhere classified
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Plasma Physics

description: Diabetes mellitus is one of the foremost global concerns, as it has impacted millions of lives. Therefore, there is an urgent need to develop a technology for continuous glucose monitoring in vivo. In the current study, we employed computational methods such as docking, MD simulations, and MM/GBSA, to obtain molecular insights into the interaction between (ZnO)12 nanocluster and glucose oxidase (GOx) that cannot be obtained through experiments alone. For this, theoretical modeling of the 3D cage-like (ZnO)12 nanocluster in ground state configuration was performed. Further docking of (ZnO)12 nanocluster with GOx molecule was carried out to find the nano-bio-interaction of (ZnO)12-GOx complex. To understand the whole interaction and dynamics of (ZnO)12-GOx-FAD-with and without glucose, we performed MD simulation and MM/GBSA analysis of (ZnO)12-GOx-FAD complex and glucose-(ZnO)12-GOx-FAD complex separately. The interaction was found to be stable, and the binding energy of (ZnO)12 to GOx-FAD increases in the presence of glucose by 6 kcal mol−1. This may be helpful in nano probing of the interaction of GOx with glucose. It can help in making a device like fluorescence resonance energy transfer (FRET) based nano-biosensor to monitor the glucose level in pre and post diabetic patient. Communicated by Ramaswamy H. Sarma
Nonlinear Quantum Evolution Equations to Model Irreversible Adiabatic Relaxation with Maximal Entropy Production and Other Nonunitary Processes
Creators: name: Beretta, Gian Paolo
Publisher: name: arXiv
Year: 2009
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: We first discuss the geometrical construction and the main mathematical features of the maximum-entropy-production/steepest-entropy-ascent nonlinear evolution equation proposed long ago by this author in the framework of a fully quantum theory of irreversibility and thermodynamics for a single isolated or adiabatic particle, qubit, or qudit, and recently rediscovered by other authors. The nonlinear equation generates a dynamical group, not just a semigroup, providing a deterministic description of irreversible conservative relaxation towards equilibrium from any non-equilibrium density operator. It satisfies a very restrictive stability requirement equivalent to the Hatsopoulos-Keenan statement of the second law of thermodynamics. We then examine the form of the evolution equation we proposed to describe multipartite isolated or adiabatic systems. This hinges on novel nonlinear projections defining local operators that we interpret as ``local perceptions'' of the overall system's energy and entropy. Each component particle contributes an independent local tendency along the direction of steepest increase of the locally perceived entropy at constant locally perceived energy. It conserves both the locally-perceived energies and the overall energy, and meets strong separability and non-signaling conditions, even though the local evolutions are not independent of existing correlations. We finally show how the geometrical construction can readily lead to other thermodynamically relevant models, such as of the nonunitary isoentropic evolution needed for full extraction of a system's adiabatic availability.
description: To appear in Reports on Mathematical Physics. Presented at the The Jubilee 40th Symposium on Mathematical Physics, "Geometry & Quanta", Torun, Poland, June 25-28, 2008
A qualitative study of the experiences of moving on from a non-residential Democratic Therapeutic Community
Creators: name: Hewitson, Nina
Publisher: name: Lancaster University
Year: 2021

description: This thesis explores experiences of stigma towards individuals with a diagnosis Borderline Personality Disorder and consider approaches to mitigate this. It examined the experiences of individuals with difficulties that can be understood as personality disorders who had attended a Democratic Therapeutic Community, focusing on what factors helped and or hindered the maintenance of the positive therapeutic changes achieved during DTC treatment. A narrative literature review was conducted with the aim of exploring the existing literature relating to stigma and prejudice towards people with a diagnosis of BPD, focusing on how mental health professionals think about and behave towards individuals with this diagnosis and the clinical implications of these attitudes and behaviours. The Power Threat Meaning Framework (PTMF) was discussed as an alternative to psychiatric diagnosis. A qualitative research study aimed to understand the medium-term factors that helped or hindered the maintenance and continuation of positive change after the end of day DTC treatment. It examined the experiences of individuals who had completed day DTC programmes and the subsequent follow-on group between six months to two years prior to taking part in the research, who felt they had an overall beneficial experience in the DTC. Interpretative phenomenological analysis (IPA) analysis was used. Six participants completed one-to-one semistructured interviews. Four superordinate themes emerged: An Atmosphere of Belonging, Hope versus Struggle, Support, and Empowerment though Understanding. This study was the first to explore the experiences of individuals following discharge from non-residential day DTCs.
Àlbum seriado Puerpério
Creators: name: Camargo, Anna Beatriz
name: Cristina de Souza Borges Silva, Sandra
name: Abreu, Larissa Nunes
name: Tatagiba Medina, Edymara
name: Gouvea, Julia Malerbi
Publisher: name: Zenodo
Year: 2025
Subjects: cuidado pré-natal
enfermagem
cuidado materno infantil
amamentação

description:  Tecnologia educaciónal no formato álbum seriado sobre a temática assistência à mulher no puerpério.
Cohomological Reduction of Sigma Models
Creators: name: Candu, Constantin
name: Creutzig, Thomas
name: Mitev, Vladimir
name: Schomerus, Volker
Publisher: name: arXiv
Year: 2010
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: This article studies some features of quantum field theories with internal supersymmetry, focusing mainly on 2-dimensional non-linear sigma models which take values in a coset superspace. It is discussed how BRST operators from the target space supersymmetry algebra can be used to identify subsectors which are often simpler than the original model and may allow for an explicit computation of correlation functions. After an extensive discussion of the general reduction scheme, we present a number of interesting examples, including symmetric superspaces $G/G^{\mathbb{Z}_2}$ and coset superspaces of the form $G/G^{\mathbb{Z}_4}$.
description: 39 pages, 2 tables, 1 figure
Open Science, proprietà intellettuale e capitalismo delle piattaforme
Creators: name: Caso, Roberto
Publisher: name: Zenodo
Year: 2022
Subjects: Open Science
Proprietà intellettuale
Capitalismo delle piattaforme

description: Le attuali politiche di promozione della scienza aperta presuppongono che l'apertura sia compatibile con il rafforzamento della proprietà intellettuale (e della «pseudo proprietà intellettuale»). La presentazione è finalizzata a confutare questo presupposto, dimostrando che l'Open Science è incompatibile con il continuo rafforzamento della proprietà intellettuale. Viene discusso, a questo fine, l'esempio dei dati della ricerca.
Investigation of the dual role of acyl phloroglucinols as a new hope for antibacterial and anti-SARS-CoV-2 agents employing integrated in vitro and multi-phase in silico approaches
Creators: name: Prasetyo, Wahyu Eko
name: Kusumaningsih, Triana
name: Triadmojo, Bram
name: Anggraini, Septin Dwi
name: Marliyana, Soerya Dewi
name: Firdaus, Maulidan
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology

description: With the rapid spread of multi-drug-resistant bacteria and more infectious or aggressive variants of SARS-CoV-2, it is critical to develop drugs that can quickly adapt to evolving bacterial and viral mutations. In this study, encouraged by nature, we synthesized a series of phloroglucinol (PG) derivatives, acyl phloroglucinols (ACPLs) 2a-4c by mimicking the structure of the natural antifungal 2,4-diacetylphloroglucinol 3a (2,4-DAPG). According to the quantum chemical calculation, these compounds were expected to be exceptionally favourable for intermolecular interaction with protein receptors. Intriguingly, the in vitro study of Staphylococcus aureus (S. aureus) ATCC 25923 and Escherichia coli (E. coli) ATCC 25922, showed that the four ACPLs 3a–4a had good antibacterial activity and selectivity against gram-positive bacteria, S. aureus. These results were then supported by in silico molecular docking and molecular dynamics simulations (MDs) between these potent compounds and the S. aureus FtsA protein (PDB ID: 3WQU). Furthermore, with the aid of the knowledge base Virus-CKB along with the molecular docking study, it was found that the three ACPLs 4a–4c showed potential inhibitors against SARS-CoV-2 PLpro (PDB ID: 7CMD). Additionally, 100 ns of MDs was carried out in order to assess the stability behaviour of ACPLs at the docked site. Moreover, in silico ADME/T and drug likeness of all studied ACPLs were also predicted. Finally, shape-based screening of FDA-approved drugs was performed using the most prominent synthesized ACPLs as a template, enabling us to include several medications that could be utilized as antibacterial and antiviral drug candidates. Communicated by Ramaswamy H. Sarma
title: Detecting Perceptual Breakthrough in RSVP with Applications in Deception Detection Methodological, Behavioural and Electrophysiological Explorations
Creators: name: Zoumpoulaki, Alexia
Publisher: name: University of Kent
Year: 2016

description: This thesis explores perceptual breakthrough in rapid serial visual presentation (RSVP), for deception detection applications. In RSVP, visual stimuli are presented in rapid succession, pushing the perceptual processing system to the limit, allowing only a limited number of stimuli to be processed and en- coded. In this thesis we investigate what type of stimuli capture attention in RSVP, taking advantage of both physiological and behavioural measurements. The main focus of the studies presented here follows up on work that shows that perceptual breakthrough in RSVP can be used as a marker of concealed knowledge in deception detection tests (Fringe P300). The thesis is divided into two research contribution parts. Firstly, we develop methods for analysing Event Related Potential (ERP) data, in order to facilitate assessment of perceptual breakthrough in experiments presented later in this thesis. We focus on reducing false positives while at the same time successfully measuring the underlying effects. We present and evaluate methods for measuring latencies and selecting Regions of Interest (ROIs) through simulations and experimental data. Secondly, we explore perceptual breakthrough in RSVP with applications in deception detection. For that purpose, we conducted two studies. The first study explores incidentally acquired information by recording the P300 ERP component from participants after acting out a mock crime scenario. The main hypothesis was that concealed information is salient to a guilty person, and thus associated stimuli will be involuntary perceived. The second study explores the type of stimuli that capture attention in RSVP, by addressing issues related to encoding and emotional arousal, and whether attention can be directed through contextual priming independent of the main task. These studies increase our understanding of how stimuli are processed in RSVP and can provide useful suggestions for designing more successful ERP and RSVP based, deception detection applications, both in terms of stimulus presentation and data analysis.
EAS-CNN: automatic design of convolutional neural network for remote sensing images semantic segmentation
Creators: name: Zhou, Han
name: Yang, Jianyu
name: Zhang, Tingting
name: Dai, Anjin
name: Wu, Chunxiao
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Space Science
Biotechnology
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified

description: Accurate and effective semantic segmentation methods for remote sensing are important for applications such as precision agriculture, urban planning, and disaster monitoring. Convolutional neural networks (CNN) have achieved remarkable performance in the field of remote sensing semantic segmentation. However, the design of CNNs is both time-consuming and necessitates a substantial amount of domain expertise and experience. To address the aforementioned issues, we propose a neural architecture search method called EAS-CNN. The method constructs a search space based on a U-shaped structure and utilizes a fixed-length encoding solution based on gene expression suppression to preserve potential useful information during the evolution process. Furthermore, an improved genetic strategy is proposed to enhance search efficiency and save computational resources. In this paper, we evaluate the proposed EAS-CNN method against state-of-the-art semantic segmentation methods and verify its effectiveness. Experimental results show that EAS-CNN achieves high OA values of 91.2% and 91.6% on the Vaihingen and Postman datasets, respectively. Furthermore, we conduct a thorough analysis of the experimental results and summarize effective design patterns for model architecture to enhance remote sensing semantic segmentation tasks.
Molecular docking and dynamics simulation study of quinones and pyrones from Alternaria solani and Alternaria alternata with HSP90: an important therapeutic target of cancer
Creators: name: N., Karthik H.
name: Sharma, Pranav Murali
name: Garampalli, Rajkumar H.
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Biological Sciences not elsewhere classified
subject: Cancer
subject: Computational Biology

description: Although cancer continues to be one of the world’s major causes of death, current cancer drugs have many serious side effects. There remains a need for new anticancer agents to overcome these shortcomings. Alternaria is one of the most widespread fungal genera, many species of which produce several classes of metabolites with potential polypharmacological activities. A few quinones and pyrones from Alternaria spp. have proven to exert cytotoxic effects against certain cancer cell lines, but their molecular mode of action is not known. The current study aimed to investigate the potential mechanisms that underlie the anticancer activity of a few selected quinones and pyrones from Alternaria solani and Alternaria alternata by molecular docking and dynamic simulation approaches. The selected metabolites were screened for their binding affinity to Heat shock protein 90 (HSP90), which is a known anticancer drug target. Molecular docking studies have revealed that Macrosporin, Altersolanol B, Fonsecin, and Neoaltenuene have good binding affinities with the target protein and the stabilities of the formed complexes were evaluated through molecular dynamics simulations. By analyzing the Root Mean Square Distance (RMSD), Root Mean Square Fluctuation (RMSF), and Principal Component Analysis (PCA) plots obtained from molecular dynamics simulations, this study shows that the complexes of all 4 lead molecules with target protein are stable over a 100 ns period. Molecular Mechanics Poisson-Boltzmann Surface Area (MM-PBSA) calculations were used to compute the binding free energies. The lead molecules were studied using in-silico analysis to determine their drug-likeness based on their Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) and physicochemical properties. The results demonstrate that Macrosporin, Fonsecin, and Neoaltenuene could become promising anticancer molecules that target HSP90. Communicated by Ramaswamy H. Sarma
Capabilities of the CMS detector for studies of hard probes in heavy ion collisions at the LHC
Creators: name: Lokhtin, I. P.
Publisher: name: arXiv
Year: 2008
Subjects: subject: Nuclear Experiment (nucl-ex)
subject: FOS: Physical sciences

description: The capabilities of the CMS experiment to study properties of hot and dense QCD-matter created in heavy ion collisions at the CERN Large Hadron Collider with the perturbative processes (so-called "hard probes") are presented. Detailed studies from complete simulations of the CMS detectors in Pb+Pb collisions at $\sqrt{s}=5.5$ TeV per nucleon pair are presented in view of two hard probes: quarkonium and $γ$-jet production.
description: Talk given at International Workshop "High-pT physics at LHC" (Tokaj, Hungary, March 16-19, 2008); 8 pages including 5 figures as 8 EPS-files; prepared using LaTeX package for publication in Proceedings of Science (PoS)
Solutions of PT symmetric tight-binding chain and its equivalent Hermitian counterpart
Creators: name: Jin, L.
name: Song, Z.
Publisher: name: arXiv
Year: 2009
Subjects: subject: Quantum Physics (quant-ph)
subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: We study the Non-Hermitian quantum mechanics for the discrete system. This paper gives an exact analytic single-particle solution for an $N$-site tight-binding chain with two conjugated imaginary potentials $\pm iγ$ at two end sites, which Hamiltonian has parity-time symmetry ($\mathcal{PT}$ symmetry). Based on the Bethe ansatz results, it is found that, in single-particle subspace, this model is comprised of two phases, an unbroken symmetry phase with a purely real energy spectrum in the region $γ\prec γ_{c}$ and a spontaneously-broken symmetry phase with $N-2$ real and 2 imaginary eigenvalues in the region $γ\succ γ_{c}$. The behaviors of eigenfunctions and eigenvalues in the vicinity of $γ_{c}$ are investigated. It is shown that the boundary of two phases possesses the characteristics of exceptional point. We also construct the equivalent Hermitian Hamiltonian of the present model in the framework of metric-operator theory. We find out that the equivalent Hermitian Hamiltonian can be written as another bipartite lattice model with real long-range hoppings.
description: 8 pages, 2 figures
Past, Present and Future of Occupational Therapy in Singapore 新加坡職能治療的過去、現在、未來展望
Creators: name: Kwek, Wu-Xin Gabriel
name: Yeh, I-Ling
name: Hooi, Jessica
Publisher: name: Singapore Institute of Technology
Year: 2024

description: This was written on behalf of Singapore Association of Occupational Therapists that was invited by Occupational Therapy Union from Taiwan (R.O.C) for the celebration of their 20th anniversary.
Past, Present and Future of Occupational Therapy in Singapore
Creators: name: Kwek, Wu-Xin Gabriel
name: Yeh, I-Ling
name: Hooi, Jessica
Publisher: name: Singapore Institute of Technology
Year: 2024

description: This was written on behalf of Singapore Association of Occupational Therapists that was invited by Occupational Therapy Union from Taiwan (R.O.C) for the celebration of their 20th anniversary.
Invariant recurrence relations for CP^(N-1) models
Creators: name: Goldstein, P.
name: Grundland, A. M.
Publisher: name: arXiv
Year: 2009
Subjects: subject: Mathematical Physics (math-ph)
subject: FOS: Physical sciences
subject: 53A07; 53B50; 53C43; 81T45

description: In this paper, we present invariant recurrence relations for the completely integrable CP^(N-1) Euclidean sigma model in two dimensions defined on the Riemann sphere S^2 when its action functional is finite. We determine the links between successive projection operators, wave functions of the linear spectral problem, and immersion functions of surfaces in the su(N) algebra together with outlines of the proofs. Our formulation preserves the conformal and scaling invariance of these quantities. Certain geometrical aspects of these relations are described. We also discuss the singularities of meromorphic solutions of the CP^(N-1) model and show that they do not affect the invariant quantities. We illustrate the construction procedure through the examples of the CP^2 and CP^3 models.
description: 25 pages
~1 mil scRNAseq for endometrium
Creators: name: HUTER Project
Publisher: name: Zenodo
Year: 2021
Subjects: HUTER Project

description: The purpose of this document is to present the first version of the endometrial atlas across the lifespan. As part of Deliverable 4.1, we will be addressing two main areas:
 a) Mapping the healthy endometrium across the lifespan.
 b) Profiling changes in gene expression and cellular composition in the endometrium of women suffering from endometriosis.
Computational and in vitro analyses to identify the anticoagulant regions of Echicetin, a snake venom anticoagulant C-type lectin (snaclec): possibility to develop anticoagulant peptide therapeutics?
Creators: name: Puzari, Upasana
name: Goswami, Mahasweta
name: Rani, Komal
name: Patra, Aparup
name: Mukherjee, Ashis K.
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Developmental Biology
subject: Hematology

description: Snake venom C-type lectins (Snaclecs) display anticoagulant and platelet-modulating activities; however, their interaction with the critical components of blood coagulation factors was unknown. Computational analysis revealed that Echicetin (Snaclec from Echis carinatus venom) interacted with heavy chain of thrombin, and heavy and light chains of factor Xa (FXa). Based on FXa and thrombin binding regions of Echicetin, the two synthetic peptides (1A and 1B) were designed. The in silico binding studies of the peptides with thrombin and FXa showed that peptide 1B interacted with both heavy and light chains of thrombin and, peptide 1A interacted with only heavy chain of thrombin. Similarly, peptide 1B interacted with both heavy and light chains of FXa; however, peptide 1A interacted only with heavy chain of FXa. Alanine screening predicted the hot-spots residues for peptide 1A (Aspartic acid6, Valine8, Valine9, and Tyrosine17 with FXa, and Isoleucine14, Lysine15 with thrombin) and peptide 1B (Valine16 with FXa). Spectrofluorometric interaction study showed a lower Kd value for peptide 1B binding with both FXa and thrombin than peptide 1A, indicating higher binding strength of the former peptide. The circular dichroism spectroscopy also established the interaction between thrombin and the custom peptides. The in vitro study demonstrated higher anticoagulant activity of peptide 1B than peptide 1A due to higher inhibition of thrombin and FXa. Inhibition of anticoagulant activity of the peptides by respective anti-peptide antibodies corroborates our hypothesis that peptides 1A and 1B represent the anticoagulant regions of Echicetin and may be developed as antithrombotic peptide drug prototypes. Communicated by Ramaswamy H. Sarma
A Twitch upon a Thread: Regulation of human tissue use in Australia and the application of property law
Creators: name: Goold, I
Publisher: name: University Of Tasmania
Year: 2023

description: Since the days of the body-snatchers, human bodies and their parts have been a valuable resource for science and medicine. They have been used for study, as the raw material for therapeutics and genetic research, as a source of transplant organs and for the creation of artistic works. In effect, human body parts are treated in many respects as items of property for they are possessed, controlled, used, transferred and destroyed. We even use the language of property to express how we experience our bodies - \I broke my arm\" \"He donated his kidney''. However the Australian legal system has baulked at placing excised human tissue within the ambit of property laws. Mosdy a consent approach is taken through legislation and ethical guidelines with the exception of some case law that has upheld limited property rights in tissue. This situation is problematic in part because these guidelines and legislation cover only some limited uses of tissue leaving the remainder in a legal vacuum. In the absence of auy clear status for tissue having been established it is not clear how the courts will or should approach alleged misuse of. In addition the doctrine of consent fails to determine who may hold rights in tissue in a variety of circumstances. As a result situations may arise where it is unclear how tissue may be used and who may use it. Given the value of tissue for biotechnology and medicine this should be remedied. One suggested approach to these problems has been the application of property law to human tissue. Due in part to the intuitive practicality of this approach given the current uses of tissue and the common law cases upholding such an approach this issue has generated considerable academic debate. This thesis seeks to examine the foundational issues that affect this debate to determine whether a case can reasonably be made for applying property law to human tissue. In drawing conclusions on the issues that face the debate this thesis lays the groundwork for developing a comprehensive legal approach to tissue use that will address the current lack of consistency in the Australian legal system's method of regulating tissue use. It is concluded that it would be possible to regulate the use of human tissue through the laws of property and that the arguments in favour of doing so outweigh those against. However this conclusion is conditioned on the recognition that these rights should be subject to certain limitations."
New azole-derived hemiaminal ethers as promising acetylcholinesterase inhibitors: synthesis, X-ray structures, in vitro and in silico studies
Creators: name: Nisar, Muhammad
name: Gondal, Humaira Yasmeen
name: Cheema, Zain Maqsood
name: Yousaf, Sammer
name: Nadeem, Humaira
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biochemistry
Medicine
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Information Systems not elsewhere classified
Virology

description: A new class of azole-derived hemiaminal ethers is designed as acetylcholinesterase (AChE) inhibitors. The synthesized compounds exhibited remarkable inhibitory activity against acetylcholine. Chiral hemiaminals (3d and 3i) based on (R)-menthoxymethyl group exhibit excellent inhibition with IC50 values of 0.983 ± 1.41 and 1.154 ± 0.89 µM. Similarly, butoxymethyl derivatives 3a, 3f and 3h, also showed promising inhibition comparable to the standard drug, Donepezil. In silico studies were performed to understand the mode of interactions with the target proteins, where menthoxymethyl azoles 3d and 3i demonstrated the highest docking scores. Molecular dynamics simulations displayed the stable ligand–protein complex of 3i with effective binding interactions. The bioavailability and pharmacokinetic parameterssupported the suitability of these small molecule inhibitors to develop cost-effective drug leads for Alzheimer’s disease (AD). MTT assay substantiated the non-cytotoxic nature of the compounds. The synthesized compounds are extensively characterized by 1H NMR, 13C NMR and mass spectral data and SC-XRD. Communicated by Ramaswamy H. Sarma
Quest for selective MMP9 inhibitors: a computational approach
Creators: name: Shaikh, Arbaz Sujat
name: Sethi, Aaftaab
name: Makhal, Priyanka N.
name: Rathi, Brijesh
name: Kaki, Venkata Rao
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biochemistry
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified
Cancer

description: Matrix Metalloproteinases-9 (MMP-9) is one of the important targets that play a vital role in various diseases such as cancer, Alzheimer’s, arthritis, etc. Traditionally, MMP-9 inhibitors have been unable to achieve selectivity to get around this target; thereby, novel mechanisms such as inhibition of activated MMP-9 zymogen (pro-MMP-9) have been discovered. The JNJ0966 was one of the few compounds that attained the requisite selectivity by inhibiting the activation of MMP-9 zymogen (pro-MMP-9). Since JNJ0966, no other small molecules have been identified. Herein, extensive in silico studies were called upon to bolster the prospect of exploring potential candidates. The key objective of this research is to identify the potential hits from the ChEMBL database via molecular docking and dynamics approach. Protein with PDB ID: 5UE4, having a unique inhibitor in an allosteric binding pocket of MMP-9, was chosen for the study. Structure-based virtual screening and MMGBSA binding affinity calculations were performed, and five potential hits were finalized. Detailed analysis of the best-scoring molecules was performed with ADMET analysis and molecular dynamics (MD) simulation. All five hits outperformed JNJ0966 in the docking assessment, ADMET analysis, and molecular dynamics simulation. Accordingly, our research findings imply that these hits can be investigated for in vitro and in vivo studies against proMMP9 and might be explored as potential anticancer drugs. The outcome of our research might contribute in expediting the exploration of drugs that inhibits proMMP-9. Communicated by Ramaswamy H. Sarma
On some Non Asymptotic Bounds for the Euler Scheme
Creators: name: Lemaire, Vincent
name: Menozzi, Stephane
Publisher: name: arXiv
Year: 2010
Subjects: subject: Probability (math.PR)
subject: FOS: Mathematics
subject: 60H35, 65C30, 65C05, 60E15

description: We obtain non asymptotic bounds for the Monte Carlo algorithm associated to the Euler discretization of some diffusion processes. The key tool is the Gaussian concentration satisfied by the density of the discretization scheme. This Gaussian concentration is derived from a Gaussian upper bound of the density of the scheme and a modification of the so-called "Herbst argument" used to prove Logarithmic Sobolev inequalities. We eventually establish a Gaussian lower bound for the density of the scheme that emphasizes the concentration is sharp.
description: 26 pages
Phytomolecules as potential candidates to intervene the function of E. coli sodium-proton antiporters; Ec-NhaA
Creators: name: Yadava, Anuradha
name: Bhuyan, Md. Mahfuzur Rahman
name: Mukherjee, Debalina
name: Kumar, Dinesh
name: Dwivedi, Manish
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Biological Sciences not elsewhere classified
subject: Mental Health
subject: Infectious Diseases
subject: FOS: Health sciences

description: Sodium-Proton antiporter, NhaA is a ubiquitous protein found in cytoplasmic membranes of all the prokaryotic and eukaryotic systems. These antiporters have been widely studied in E. coli and their homologs, observed in humans, are found to be crucial for various pathophysiological conditions, such as hypertension, cardiac diseases, blood pressure fluctuation etc. NhaA is responsible for the virulent properties of many pathogens like Vibrio cholerae, Yersinia pestis etc. In the present work, we have exploited in silico approaches to find lead phytomolecules that have the efficacy to interfere with the activities of sodium-proton antiporters in E. coli. A database of the plant-based natural bioactive compounds was used to screen 350 phytochemicals from various plant sources as potential ligands for the Ec-NhaA protein (PDB ID: 4ATV). Further interactions between Ec-NhaA and ligands were analyzed by AutoDock Vina and proposed 46 ligands with a significant affinity for NhaA where the binding energy range from −7.5 to −9.3 kcal/mol. Physiochemical characterization suggested 26 ligands with non-BBB permeability, good GI absorption and solubility. As a final step, MD simulation for more than 100 ns duration suggested Luteolin, Apigenin and Rhamnocitrin with the best affinity and showing potential stable interaction with the target protein. This study proposed the potential compounds of natural origin as an interfering agent against sodium-proton transport activity that may lead to affect the survival of various pathogenic bacteria. Communicated by Ramaswamy H. Sarma
Recent developments on HYDJET/PYQUEN event generators and novel jet quenching observables at LHC
Creators: name: Lokhtin, I. P.
name: Malinina, L. V.
name: Petrushanko, S. V.
name: Snigirev, A. M.
name: Arsene, I.
name: Tywoniuk, K.
Publisher: name: arXiv
Year: 2008
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: The recent developments on PYQUEN, HYDJET and HYDJET++ event generators are presented. The partonic energy loss model PYQUEN is implemented as the modification of the "standard" jet event obtained with the generator of hadron-hadron interactions PYTHIA. HYDJET and HYDJET++ are the Monte-Carlo event generators for the simulation of relativistic heavy ion AA collisions considered as a superposition of the soft, hydro-type state and the hard, multi-parton fragmentation. HYDJET++ model is the development and continuation of HYDJET generator, and it includes more detailed treatment of the "thermal" hadronic state generated on the chemical and thermal freeze-out hypersurfaces (represented by the parameterization of relativistic hydrodynamics with preset freeze-out conditions), collective flow effects and decays of hadronic resonances. Some applications of above models to novel jet quenching observables are discussed.
description: Talk given at International Workshop "High-pT physics at LHC" (Tokaj, Hungary, March 16-19, 2008); 8 pages; prepared using LaTeX package for publication in Proceedings of Science (PoS)
High energy astrophysical neutrino flux and modified dispersion relations
Creators: name: Alba, J. L. Bazo
name: Bustamante, M.
name: Gago, A. M.
name: Miranda, O. G.
Publisher: name: arXiv
Year: 2009
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: Motivated by the interest in searches for violation of CPT invariance, we study its possible effects in the flavour ratios of high-energy neutrinos coming from cosmic accelerators. In particular, we focus on the effect of an energy independent new physics contribution to the neutrino flavour oscillation phase and explore whether it is observable in future detectors. Such a contribution could be related not only to CPT violation but also to a nonuniversal coupling of neutrinos to a torsion field. We conclude that this extra phase contribution only becomes observable, in the best case, at energies greater than 10^{16.5} GeV, which is about five orders of magnitude higher than the most energetic cosmological neutrinos to be detected in the near future. Therefore, if these effects are present only in the oscillation phase, they are going to be unobservable, unless a new mechanism or source capable to produce neutrinos of such energy were detected.
description: Accepted for publication in the Int. J. Mod. Phys. A -- Typo in online version of abstract corrected