cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Insights of ligand binding in modeled h5-HT1A receptor: homology modeling, docking, MM-GBSA, screening and molecular dynamics
Creators: name: Jha, Preeti
name: Chaturvedi, Shubhra
name: Bhat, Ruchika
name: Jain, Nidhi
name: Mishra, Anil K.
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: Neuroscience
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

description: The pharmacologically characterized receptor subtype of the serotonin family, the 5HT1A receptor is implicated in the pathophysiology and treatment of depression and anxiety-related disorders. Being the most extensively targeted receptor for developing novel antidepressants and anxiolytics, a near-ideal theoretical model can aid in high-throughput screening of promising drug candidates. However, the design of potential drug candidates suffers owing to a lack of complete structural information. In this work, homology models of 5-HT1A receptor are generated using two distinct alignments (CW and PSTA) and model building methods (KB and EB). The developed models are validated for virtual screening using a ligand dataset of agonists and antagonists. The best-suited model was efficient in discriminating agonist/antagonist binding. Correlation plots between pKi and docking (R2agonist≥ 0.6, R2antagonist≥ 0.7) and MM-GBSA dG bind values (R2agonist≥ 0.5, R2antagonist≥ 0.7) revealed optimum corroboration between in vitro and in silico outcomes, which further suggested the usefulness of the developed model for the design of high-affinity probes for the neurological disorders. Communicated by Ramaswamy H. Sarma
Physical-constraints-preserving central discontinuous Galerkin methods for special relativistic hydrodynamics with a general equation of state
Creators: name: Wu, Kailiang
name: Tang, Huazhong
Publisher: name: arXiv
Year: 2016
Subjects: subject: Numerical Analysis (math.NA)
subject: FOS: Mathematics

description: The ideal gas equation of state (EOS) with a constant adiabatic index is a poor approximation for most relativistic astrophysical flows, although it is commonly used in relativistic hydrodynamics. The paper develops high-order accurate physical-constraints-preserving (PCP) central discontinuous Galerkin (DG) methods for the one- and two-dimensional special relativistic hydrodynamic (RHD) equations with a general EOS. It is built on the theoretical analysis of the admissible states for the RHD and the PCP limiting procedure enforcing the admissibility of central DG solutions. The convexity, scaling and orthogonal invariance, and Lax-Friedrichs splitting property of the admissible state set are first proved with the aid of its equivalent form, and then the high-order central DG methods with the PCP limiting procedure and strong stability preserving time discretization are proved to preserve the positivity of the density, pressure, and specific internal energy, and the bound of the fluid velocity, maintain the high-order accuracy, and be $L^1$-stable. The accuracy, robustness, and effectiveness of the proposed methods are demonstrated by several 1D and 2D numerical examples involving large Lorentz factor, strong discontinuities, or low density or pressure etc.
description: 32 pages, 13 figures
Efectos en la salud ante exposición a hidrocarburos
Creators: name: Gutiérrez Hernández, Rosalinda
name: Flores Flores, Edgar David
name: Alvarado Alanís, Jorge Luis
name: Lazalde Ramos, Blanca Patricia
Publisher: name: IBN SINA
Year: 2023

description: Los hidrocarburos se componen únicamente de carbono e hidrógeno, son sustancias ampliamente utilizadas en las industrias, se pueden encontrar en la gasolina, el diesel, los solventes, los lubricantes, el gas natural y los productos derivados del carbón, la inhalación de hidrocarburos volátiles, como el benceno, el tolueno y el xileno, puede tener efectos graves en la salud respiratoria. Estos compuestos pueden irritar las vías respiratorias, causando síntomas como tos, dificultad para respirar y afecciones crónicas como la bronquitis, la exposición a largo plazo a estos compuestos ha sido vinculada con un mayor riesgo de desarrollar cáncer de pulmón. Algunos estudios han demostrado que pueden tener efectos negativos en el sistema cardiovascular, debido a la exposición y generar enfermedades como la hipertensión y el infarto agudo al miocardio, esto se debe a que los hidrocarburos pueden afectar la función de los vasos sanguíneos y promover la formación de placas de colesterol en las arterias, la exposición a hidrocarburos ha sido relacionada también con problemas de función hepática. Estos compuestos pueden causar daño en las células del hígado, lo que puede dar lugar a enfermedades como la hepatitis y la cirrosis. Asimismo, se ha observado un aumento en el riesgo de trastornos renales relacionados con la exposición a hidrocarburos, ya que se pueden acumular en los riñones y causar daño a largo plazo. También, pueden tener efectos negativos en el sistema nervioso, algunos estudios han encontrado que la exposición a largo plazo está asociada con un mayor riesgo de desarrollar trastornos neurológicos, como el Parkinson y la esclerosis múltiple, la exposición aguda a altos niveles de hidrocarburos puede causar efectos como mareos, confusión y debilidad muscular. La exposición a hidrocarburos puede tener una serie de efectos perjudiciales para la salud humana. Estos compuestos pueden causar problemas respiratorios, cardiovasculares, hepáticos y renales, además de estar asociados con trastornos neurológicos. Es importante tomar medidas de precaución para reducir la exposición a hidrocarburos, especialmente en entornos laborales o áreas con alta concentración de estos compuestos.
description: IBN SINA, Vol. 14 Núm. 2 (2023): Vol. 14, Núm. 2, agosto-diciembre, 2023
Internal reflectance cell fluorescence measurement combined with multi-way analysis to detect fluorescence signatures of undiluted honeys and a fusion of fluorescence and NIR to enhance predictability
Creators: name: Truong, Hien
name: Reddy, Pullanagari
name: Reis, Marlon Martins dos
name: Archer, Richard
Publisher: name: AgResearch
Year: 2023
Subjects: Nonlinear optics and spectroscopy

description: Honey is a complex food matrix that contains diverse polyphenolic compounds. Some phenolics exhibit fluorescence signatures which can be used to evaluate honey quality, and authenticity and to determine botanical origin. Mānuka honey contains two unique fluorescence markers: Leptosperin (MM1) and LepteridineTM (MM2) that are derived from Leptospermum scoparium nectar. Fluorescence measurement of supersaturated solutions such as undiluted honeys can be challenged by complex inner filter effects. The current study shows the ability of internal reflectance cell fluorescence measurement and multi-way analysis to detect fluorophores in undiluted honeys. This study scanned honeys from different geographic districts generating excitation emission matrices (250–400/300–600 nm), and by near infrared (NIR) hyperspectral camera (547–1701 nm). PARAFAC and tri-PLS could track two fluorescence markers: MM1 (R2 = 0.82 & RMSEP = 138.65) and MM2 (R2 = 0.82 & RMSEP = 2.75) from undiluted honey fluorescence data with > 80 % accuracy. Classification of mono-floral, multi-floral and non-mānuka honeys achieved 90 % overall accuracy. Fusion of fluorescence data at ƛex 270 & 330 nm and NIR hyperspectral data combined with multi-block PLS analysis enhances predictability of fluorescence markers further. The study revealed the potential of internal reflectance cell fluorescence measurement combined with chemometrics and data fusion for rapid evaluation of honey quality and botanical origin.
Ultimate strength of simply-supported composite beams in fire
Creators: name: Proe, D. J.
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.
Nuevas perspectivas acerca de la enfermedad de Crohn: de lo básico a las nuevas terapias
Creators: name: González-Rayas, José Manuel
name: Mendoza-Sigala, Marcela
Publisher: name: IBN SINA
Year: 2023

description: La enfermedad de Crohn es una patología crónica y recidivante que afecta a una parte significativa de la población de México y el mundo. Aún cuando su etiología permanece incierta, se sabe que la inflamación juega un papel importante en su aparición y avance. El conocimiento de esta patología por médicos de primer nivel es clave ya que su incidencia se encuentra al alza. En el presente ensayo se revisarán aspectos básicos como epidemiología, etiopatogenia, cuadro clínico, tratamiento y pronóstico. Se hará énfasis en las características anatomopatológicas y en las nuevas alternativas terapéuticas que han demostrado ser modificadores de la enfermedad. Finalmente, se presentará un resumen de las nuevas perspectivas en cuanto al futuro del diagnóstico y tratamiento de la enfermedad de Crohn.
description: IBN SINA, Vol. 14 Núm. 2 (2023): Vol. 14, Núm. 2, agosto-diciembre, 2023
Condiciones de vida en enfermeras y médicos durante el covid-19, Hospital General Loreto, Zacatecas.
Creators: name: Cisneros Chávez, Ma. Guadalupe
name: Franco Trejo, Christian Starlight
Publisher: name: IBN SINA
Year: 2023

description: Introducción: Las condiciones de vida de una sociedad están plasmadas sus necesidades auténticas de grupos y/o individuos, éstas se satisfacen mediante la utilización de recursos a su alcance, dependen de capacidades y habilidades de cada individuo.La pandemia por COVID-19 mostró la necesidad e importancia de disponer de enfermeras y médicos quienes se encontraron en primera línea para hacerle frente a esta pandemia, afectando sus condiciones de vida personal y laboral. Objetivo: Establecer las condiciones de vida de enfermeras y médicos Hospital General Loreto, Zacatecas, bajo el contexto de la COVID-19. Material y métodos: Estudio transversal, observacional y analítico en enfermeras y médicos, se conformó de 91 voluntarios, muestreo no probabilístico accidental, 78 enfermeras y 13 médicos distribuidos en los cinco turnos del hospital. Se aplicó un cuestionario de elaboración propia referente a cada una de las variables en cuestión, sociodemográficos, condiciones de vida, condiciones laborales y redes de apoyo, constó de 57 ítems. Resultados: sociodemográficos, predominó el género femenino, siendo 87.0% personal de enfermería, médicos 50.0%, así mismo el 62.5% de los médicos, indicaron contar con otro trabajo en tanto que 22.2% en enfermería. El 87.0% de enfermería tuvieron mayor cansancio, 70.1% Enfermeras (os) insatisfechos por su sueldo, 12 horas laboradas enfermería 63.6%, redes de apoyo enfermería fue de 62.3%. Conclusiones: El estudio evidenció en todo que las condiciones de vida en las enfermeras casadas, madres de familia y con más horas laboradas, fueron mayormente afectadas en comparación a los médicos, durante la pandemia.
description: IBN SINA, Vol. 14 Núm. 2 (2023): Vol. 14, Núm. 2, agosto-diciembre, 2023
Thermal shift assays of marine-derived fungal metabolites from Aspergillus fischeri MMERU 23 against Leishmania major pteridine reductase 1 and molecular dynamics studies
Creators: name: Cardona, Harol R. Arias
name: Froes, Thamires Q.
name: De Souza, Bruno C.
name: Leite, Franco H. A.
name: Brandão, Hugo Neves
name: Buaruang, Jamrearn
name: Kijjoa, Anake
name: Alves, Clayton Q.
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Pharmacology
subject: Biotechnology
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: Ecology
subject: 69999 Biological Sciences not elsewhere classified
subject: Inorganic Chemistry

description: Marine-derived fungi are a promising source of bioactive molecules, especially species from extreme habitats. Although several secondary metabolites such as meroterpenoids and alkaloids have been isolated from cultures of Aspergillus fischeri, obtained from terrestrial habitats, there is no report on compounds isolated from marine-derived strains. Many metabolites isolated from marine-derived fungi exhibited a myriad of biological activities. Marine natural products have shown to be an important source of bioactive compounds and can assist in the discovery of molecules with affinity against validated targets from exclusive strains of parasites of medical importance such as pteridine reductase 1 (PTR1), from Leishmania major, which is essential for cell growth. Leishmaniasis is responsible for approximately 65,000 annual deaths. Despite the mortality data, drugs available for the treatment of patients are insufficient and have moderate therapeutic efficacy in addition to serious adverse effects, which make the development of new drugs urgent. The previously described aszonalenin (ASL), aszonapyrone A (ASP), acetylaszonalenin (ACZ), and helvolic acid (HAC) were isolated from the ethyl acetate extract of the culture of a marine sponge-associated A. fischeri MMERU 23 and their affinities against PTR1 were determined by ThermoFluor®. Among the tested compounds, only ACZ showed dose-dependent affinity against PTR1. Moreover, complementary molecular dynamics studies (t = 100 000 ps) have showed that this molecule performs hydrogen bonds with key residues at the active site for more than 60% of the productive trajectory time. The results indicate that ACZ could be a promising PTR1 inhibitor and a potential candidate for development of antileishmanial drug. Communicated by Ramaswamy H. Sarma
Estigma y abuso relacionado con el peso corporal en promotores de la salud en Estado Unidos de América: un estudio transversal
Creators: name: Herrera Gutierrez, Susana Alejandra
name: Galicia Rodríguez, Ana Gabriela
name: Ayala Aguilera, José Israel
name: Herrera Medrano, Ana María
name: Acuña Ruiz, Anayancin
Publisher: name: IBN SINA
Year: 2023

description: Las personas que viven con obesidad experimentan abuso y estigma de peso fundamentados en estereotipos y prejuicios. El objetivo de esta investigación fue identificar las experiencias relacionadas con estigma y abuso por el peso corporal. Se realizó un estudio cuantitativo y transversal en 108 sujetos y se aplicó el cuestionario de abuso relacionado con el peso y el de auto estigma de peso. Se utilizó la prueba estadística de correlación de Spearman (p< 0.05; IC=95%). Los resultados muestran mayor presencia de abuso verbal relacionado con el peso (= 6.37) comparado con el físico (=0.94). La autodevaluación fue mayor (=12.54) que el estigma promulgado (= 3.99). Se observó una correlación positiva fuerte con el IMC (mujer Rho=0.744; P=0.000) (hombres Rho= 0.749; P=0.000). Se concluyó que los sujetos con obesidad o sobrepeso han experimentado abuso verbal y autoestigma al sentirse responsables y culpables del peso junto con el estigma social.
description: IBN SINA, Vol. 14 Núm. 2 (2023): Vol. 14, Núm. 2, agosto-diciembre, 2023
Strain-driven criticality underlies nonlinear mechanics of fibrous networks
Creators: name: Sharma, A.
name: Licup, A. J.
name: Rens, R.
name: Vahabi, M.
name: Jansen, K. A.
name: Koenderink, G. H.
name: MacKintosh, F. C.
Publisher: name: arXiv
Year: 2016
Subjects: subject: Biological Physics (physics.bio-ph)
subject: Soft Condensed Matter (cond-mat.soft)
subject: FOS: Physical sciences

description: Networks with only central force interactions are floppy when their average connectivity is below an isostatic threshold. Although such networks are mechanically unstable, they can become rigid when strained. It was recently shown that the transition from floppy to rigid states as a function of simple shear strain is continuous, with hallmark signatures of criticality (Nat. Phys. 12, 584 (2016)). The nonlinear mechanical response of collagen networks was shown to be quantitatively described within the framework of such mechanical critical phenomenon. Here, we provide a more quantitative characterization of critical behavior in subisostatic networks. Using finite size scaling we demonstrate the divergence of strain fluctuations in the network at well-defined critical strain. We show that the characteristic strain corresponding to the onset of strain stiffening is distinct from but related to this critical strain in a way that depends on critical exponents. We confirm this prediction experimentally for collagen networks. Moreover, we find that the apparent critical exponents are largely independent of the spatial dimensionality. In a highly simplified computational model of network dynamics, we also observe critical slowing down in the vicinity of the critical strain. With subisostaticity as the only required condition, strain-driven criticality is expected to be a general feature of biologically relevant fibrous networks.
Excitation injector in an atomic chain: long-ranged transport and efficiency amplification
Creators: name: Doyeux, Pierre
name: Messina, Riccardo
name: Leggio, Bruno
name: Antezza, Mauro
Publisher: name: arXiv
Year: 2016
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: We investigate the transport of energy in a linear chain of two-level quantum emitters ("atoms") weakly coupled to a blackbody radiation bath. We show that, simply by displacing one or more atoms from their regular-chain positions, the efficiency of the energy transport can be considerably amplified of at least one order of magnitude. Besides, in configurations providing an efficiency greater than $100\%$ , the distance between the two last atoms of the chain can be up to 20 times larger than the one in the regular chain, thus achieving a much longer-range energy transport. By performing both a stationary and time-dependent analysis, we ascribe this effect to an elementary block of three atoms, playing the role of excitation injector from the blackbody bath to the extraction site. By considering chains with up to 7 atoms, we also show that the amplification is robust and can be further enhanced up to $1400\%$.
Prevalencia de la enfermedad periodontal en pacientes diabéticos de Reynosa, Tamaulipas
Creators: name: Mayek-Perez, Netzahualcoyotl
name: Zenil-Pérez, Leonardo David
name: Martínez-Vidaurri, Carlos
Publisher: name: IBN SINA
Year: 2023

description: Antecedentes. A nivel bucal, una complicación frecuente en pacientes con Diabetes mellitus tipo II (DMT2) es la enfermedad periodontal, que resulta en la pérdida de los tejidos de sostén del órgano dentario y, posteriormente, su caída. La enfermedad periodontal dificulta la masticación; los tejidos gingival y periodontal inflamados son susceptibles a las infecciones. Objetivos. Estimar la prevalencia de la enfermedad periodontal en pacientes con DMT2 de la Clínica Dental de la Universidad México Americana del Norte (UMAN) de Reynosa, México. Metodología. Estudio transversal descriptivo, retrospectivo. A 114 pacientes (57 diabéticos, 57 no diabéticos) se les hizo el examen periodontal mediante el Índice Periodontal de Necesidades de Tratamiento Comunitario (CPITN). Resultados. La edad promedio fue de 48 años (con rangos de 18 hasta 93 años). Los menores valores de CPITN se observaron en la parte palatino/lingual (5.8mm), la mayor en la parte superior (12.5 mm) y en el total (12.6 mm). Los pacientes diabéticos exhibieron mayor edad (52 años) y enfermedad periodontal (p<0.05). La enfermedad periodontal se asoció con la edad (r = 0.32-0.34*). El 98% de los pacientes no diabéticos y el 100% de diabéticos mostró enfermedad periodontal de moderada a severa; con valores hasta tres veces más severos a los máximos contemplados en la escala utilizada. Conclusiones. La alta prevalencia y severidad de la enfermedad periodontal tanto en pacientes diabéticos como no diabéticos sugiere necesidades de tratamiento periodontal especializado. La alta severidad sugiere reestructurar y validar la escala de medición de la enfermedad periodontal en pacientes diabéticos.
description: IBN SINA, Vol. 14 Núm. 2 (2023): Vol. 14, Núm. 2, agosto-diciembre, 2023
Suzaku and XMM-Newton Observations of the North Polar Spur: Charge Exchange or ISM Absorption?
Creators: name: Gu, Liyi
name: Mao, Junjie
name: Costantini, Elisa
name: Kaastra, Jelle
Publisher: name: arXiv
Year: 2016
Subjects: subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: Astrophysics of Galaxies (astro-ph.GA)
subject: Atomic Physics (physics.atom-ph)
subject: FOS: Physical sciences

description: By revisiting the Suzaku and XMM-Newton data of the North Polar Spur, we discovered that the spectra are inconsistent with the traditional model consisting of pure thermal emission and neutral absorption. The most prominent discrepancies are the enhanced O VII and Ne IX forbidden-to-resonance ratios, and a high O VIII Ly$β$ line relative to other Lyman series. A collisionally ionized absorption model can naturally explain both features, while a charge exchange component can only account for the former. By including the additional ionized absorption, the plasma in the North Polar Spur can be described by a single-phase CIE component with temperature of 0.25 keV, and nitrogen, oxygen, neon, magnesium, and iron abundances of $0.4-0.8$ solar. The abundance pattern of the North Polar Spur is well in line with those of the Galactic halo stars. The high nitrogen-to-oxygen ratio reported in previous studies can be migrated to the large transmission of the O VIII Ly$α$ line. The ionized absorber is characterized by a balance temperature of $0.17-0.20$ keV and a column density of $3-5 \times 10^{19}$ cm$^{-2}$. Based on the derived abundances and absorption, we speculate that the North Polar Spur is a structure in the Galactic halo, so that the emission is mostly absorbed by Galactic ISM in the line of sight.
description: Accepted for publication in Astronomy and Astrophysics
Myxobacterial depsipeptide chondramides interrupt SARS-CoV-2 entry by targeting its broad, cell tropic spike protein
Creators: name: Fernandez, Rey Arturo
name: Quimque, Mark Tristan
name: Notarte, Kin Israel
name: Manzano, Joe Anthony
name: Pilapil, Delfin Yñigo
name: de Leon, Von Novi
name: San Jose, John Jeric
name: Villalobos, Omar
name: Muralidharan, Nisha Harur
name: Gromiha, M. Michael
name: Brogi, Simone
name: Macabeo, Allan Patrick G.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: The severity of the COVID-19 pandemic has necessitated the search for drugs against SARS-CoV-2. In this study, we explored via in silico approaches myxobacterial secondary metabolites against various receptor-binding regions of SARS-CoV-2 spike which are responsible in recognition and attachment to host cell receptors mechanisms, namely ACE2, GRP78, and NRP1. In general, cyclic depsipeptide chondramides conferred high affinities toward the spike RBD, showing strong binding to the known viral hot spots Arg403, Gln493 and Gln498 and better selectivity compared to most host cell receptors studied. Among them, chondramide C3 (1) exhibited a binding energy which remained relatively constant when docked against most of the spike variants. Chondramide C (2) on the other hand exhibited strong affinity against spike variants identified in the United Kingdom (N501Y), South Africa (N501Y, E484K, K417N) and Brazil (N501Y, E484K, K417T). Chondramide C6 (9) showed highest BE towards GRP78 RBD. Molecular dynamics simulations were also performed for chondramides 1 and 2 against SARS-CoV-2 spike RBD of the Wuhan wild-type and the South African variant, respectively, where resulting complexes demonstrated dynamic stability within a 120-ns simulation time. Protein-protein binding experiments using HADDOCK illustrated weaker binding affinity for complexed chondramide ligands in the RBD against the studied host cell receptors. The chondramide derivatives in general possessed favorable pharmacokinetic properties, highlighting their potential as prototypic anti-COVID-19 drugs limiting viral attachment and possibly minimizing viral infection. Communicated by Ramaswamy H. Sarma
Towards the non-invasive assessment of staling in bovine hides with hyperspectral imaging
Creators: name: Liu, Yang
name: Dixit, Yash
name: Reis, Marlon Martins dos
name: Prabakar, Sujay
Publisher: name: AgResearch
Year: 2023
Subjects: Nonlinear optics and spectroscopy

description: Microbial spoilage or staling of bovine hides during storage leads to poor leather quality and increased chemical consumption during processing. Conventional microbiological examinations of hide samples which require time-consuming microbe culture cannot be employed as a practical staling detection approach for leather production. Hyperspectral imaging (HSI), featuring fast data acquisition and implementation flexibility has been considered ideal for in-line detection of microbial contamination in Agri- food products. In this study, a linescan hyperspectral imaging system working in a spectral range of 550 nm to 1700 nm was utilized as a rapid and non-destructive technique for predicting the aerobic plate counts (APC) on raw hide samples during storage. Fresh bovine hide samples were stored at 4 °C and 20 °C for 3 days. Every day, hyperspectral images were acquired on both sides for each sample. The APCs were determined simultaneously by conventional microbiological plating method. Leather quality was evaluated by microscopic inspection of grain surfaces, which indicate the acceptable threshold of microbe load on hide samples for leather processing. Partial least squares regression (PLSR) was applied to fit the spectral information extracted from the samples to the logarithmic values of APC to develop microbe load prediction models. All models showed good prediction accuracy, yielding a R2cv in the range of 0.74–0.92 and standard error of cross validation (SECV) in the range of 0.61–0.76 %. The prediction capability of the HSI was explored using the model developed with SNV + smoothened pre-processing to spatially predict plate count in the samples. Models established in this study successfully predicted the staling states characterised by bacterial loads on hide samples with low prediction errors. Models, visually, showed the differences in microbial load across the storage time and temperatures. Results illustrate that HSI can be potentially implemented as a non-invasive tool to predict microbe loads in bovine hides before leather processing, so that real-time grading of hides based on staling states can be achieved. This will reduce the cost of leather production and waste management and pave the way for allocating material supply for different production purposes.
Properties of JP = 1/2+ baryon octets at low energy
Creators: name: Kaur, Amanpreet
name: Gupta, Pallavi
name: Upadhyay, Alka
Publisher: name: arXiv
Year: 2016
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: The statistical model in combination with detailed balance principle is able to phenomenological calculate and analyze spin and flavor dependent properties like magnetic moments (with effective masses, effective charge, with both effective mass and effective charge), quark spin polarization and distribution, strangeness suppression factor. The magnetic moments of the octet baryons are analyzed within the statistical model, by putting emphasis on the SU(3) symmetry breaking effects generated by the mass difference between the strange and non strange quarks. The work presented here assume hadrons with a sea having admixture of quark-gluon Fock states. The results obtained have been compared with theoretical models and experimental data.
description: 12 Pages, 5 Tables
Evaluation of the safety benefits of local area traffic management
Creators: name: Fairlie, R. B.
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.
On the Mössbauer effect and the rigid recoil question
Creators: name: Davidson, Mark
Publisher: name: arXiv
Year: 2016
Subjects: subject: General Physics (physics.gen-ph)
subject: FOS: Physical sciences

description: Various theories for the Mössbauer rigid-recoil effect, which enables a crystal to absorb momentum but not appreciable energy, are compared. These suggest that the recoil may not be instantaneous, and that the recoil time could be used to distinguish between them. An experiment is proposed to measure this time. The idea is to use a small sphere whose outer surface is coated with an electrically charged Mössbauer-active element, and then to measure the amount of energy lost due to Bremmsstrahlung during the recoil of this sphere when a Mössbauer event occurs. As the energy radiated is proportional to the square of the acceleration from Larmor's formula, the amount of energy so radiated varies inversely proportional to the recoil time, and proportional to the charge squared. Although this energy is quite small, it can in principle be measured with the extreme sensitivity available in Mössbauer experiments. It is found that the most information would be gained with more long-lived isomers such as Rhodium-103m as the Mössbauer agent, and that correction terms to Larmor's formula need to be considered due to the finite radius of a small particle, and some of these corrections are included in the paper. These corrections are taken from the extensive literature on radiating spherical shells which were developed to analyze the Abraham-Lorentz model for a classical charged particle. This problem is interesting because a perfectly rigid crystal seems to pose questions about relativity, and because the Mössbauer effect is a phenomenon where the solid-state environment dramatically influences the probability of a nuclear process. Moreover, if the experiment proposed can measure the recoil time, then such measurements might provide a new class of analytical methods for material science and chemistry.
description: 19 pages, 4 figures
The extraction of parameters from final state interactions
Creators: name: Faldt, G.
name: Wilkin, C.
Publisher: name: arXiv
Year: 2016
Subjects: subject: Nuclear Theory (nucl-th)
subject: Nuclear Experiment (nucl-ex)
subject: FOS: Physical sciences

description: It is argued that final state enhancements in production reactions at large momentum transfers, such as pp -> K^+ Lambda p, are primarily sensitive to the position of a virtual bound state pole in the Lambda p system rather than the Lambda p scattering length and effective range. These arguments are supported by a study of the dispersion relation derived to describe such processes as a function of the cut-off energy. This shows that the position of the virtual bound state is independent of the cut-off energy.
description: 6 pages + 3 figures
Continuous-path control of industrial robots
Creators: name: Lee, Keng Kuan.
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.
Computational analysis of protein conformational heterogeneity
Creators: name: Rhinehardt, Kristen
name: Dong, Ming
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Inorganic Chemistry
subject: Computational Biology

description: In this paper, we applied the molecular dynamics (MD) simulations and used thermolysin as the system to study the overall protein dynamics and side chain dihedral angles across the Arrhenius break. Simulations were performed at a high temperature of 36 °C which is above the previously observed Arrhenius break, and the lower temperature of 20 °C which is below the Arrhenius break. We observed different protein dynamics and conformational heterogeneity of side chain dihedral angles of thermolysin at the two temperatures. Our results indicated that certain regions of thermolysin have a higher level of fluctuation at lower temperature. A temperature dependent dihedral angles were also observed at the two temperatures. The changes observed in the protein indicated key areas of temperature sensitivity within the protein. Communicated by Ramaswamy H. Sarma
Globular clusters as tracers of the host galaxy mass distribution: the Fornax dSph test case
Creators: name: Arca-Sedda, Manuel
name: Capuzzo-Dolcetta, Roberto
Publisher: name: arXiv
Year: 2016
Subjects: subject: Astrophysics of Galaxies (astro-ph.GA)
subject: FOS: Physical sciences

description: The Fornax dwarf spheroidal galaxy is the most massive satellites of the Milky Way, claimed to be embedded in a huge dark matter halo, and the only among the Milky Way satellites hosting five globular clusters. Interestingly, their estimated masses, ages and positions seem hardly compatible with the presence of a significant dark matter component, as expected in the $Λ$ CDM scheme. Indeed, if Fornax would have a CDM halo with a standard density profile, all its globular clusters should have sunk to the galactic centre many Gyr ago due to dynamical friction. Due to this, some authors proposed that the most massive clusters may have formed out of Fornax and later tidally captured. In this paper we investigate the past evolution of the Fornax GC system by using both a recently developed, semi-analytical treatment of dynamical friction and direct $N$-body simulations of the orbital evolution of the globular clusters within Fornax and of Fornax galaxy around the Milky Way. Our results suggest that an "in-situ" origin for all the clusters is likely if their observed positions are close to their spatial ones and their orbits are almost circular. Moreover, the Milky Way seems to accelerate the GC decay reducing the decay time of $15\%$. Nevertheless, our results indicate that the GCs survival probability exceeds $50\%$, even in the case of cuspy density profiles. We conclude that more detailed data are required to shed light on the Fornax dark matter content, to distinguish between a cuspy or a cored profile.
description: 9 pages, 8 tables, 5 figures in Monthly Notices of the Royal Astronomical Society 2016
Probabilistic metrology or how some measurement outcomes render ultra-precise estimates
Creators: name: Calsamiglia, J.
name: Gendra, B.
name: Munoz-Tapia, R.
name: Bagan, E.
Publisher: name: arXiv
Year: 2016
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: We show on theoretical grounds that, even in the presence of noise, probabilistic measurement strategies (which have a certain probability of failure or abstention) can provide, upon a heralded successful outcome, estimates with a precision that exceeds the deterministic bounds for the average precision. This establishes a new ultimate bound on the phase estimation precision of particular measurement outcomes (or sequence of outcomes). For probe systems subject to local dephasing, we quantify such precision limit as a function of the probability of failure that can be tolerated. Our results show that the possibility of abstaining can set back the detrimental effects of noise.
description: Improved version of arXiv:1407.6910 with an extended introduction where we clarify our approach to metrology, and probabilistic metrology in particular. Changed title
New chalcone derivative, ethyl 2-(4-(3-(benzo[b]thiophen-2-yl)acryloyl)phenoxy)acetate: synthesis, characterization, DFT study, enzyme inhibition activities and docking study
Creators: name: Çelik, Fatih
name: Süleymanoğlu, Nevin
name: Ustabaş, Reşat
name: Türkan, Fikret
name: Güler, Halil İbrahim
name: Ünver, Yasemin
name: Kahriman, Nuran
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences

description: Chalcone derivative, ethyl 2-(4-(3-(benzo[b]thiophen-2yl)acryloyl)phenoxy)acetate (I), was synthesized. Compound I was characterized by proton and carbon-13 nuclear magnetic resonance (1H- and 13C- NMR), fourier transform infrared (FTIR) and mass (LC-ESI-MS/MS) spectroscopic methods. Density Functional Theory (DFT) calculations for compound I were performed at B3LYP/6-311++G(d,p) level. Optimized geometry, frontier molecular orbitals (HOMO; highest occupied molecular orbital; LUMO: lowest unoccupied molecular orbital), IR and NMR parameters of compound I were obtained. The evaluations reveal that the calculation results support the experimental results. The inhibition effects of compound I on cholinesterases and GST enzyme were investigated. Ki and inhibition concentration (IC50) values were calculated separately. Ki values of compound I were found for GST 14.19 ± 2.15, for AChE 11.13 ± 1.22 and for BChE 8.74 ± 0.76 recpectively. The docking analysis of compound I supported the enzym inhibition activity exhibiting high inhibition constant and binding energy for three receptors. Compound I is strongly bound to AChE, huBChE and Glutathione S-transferase with binding energies −11.24, −8.56 and −10.39 kcal/mol, respectively. Communicated by Ramaswamy H. Sarma
IDCC_NPOS professionalising data stewardship report_20210419
Creators: name: Jetten, Mijke
name: Van Gelder, Celia W.G.
name: Mordant, Annemie
Publisher: name: Zenodo
Year: 2021
Subjects: Data stewardship
Training
Competences
Data steward
Certification
The Netherlands
FAIR

description: Presentation for the 2021 IDCC conference on the NPOS report professionalising data stewardship. Reference report: Mijke Jetten, Marjan Grootveld, Annemie Mordant, Mascha Jansen, Margreet Bloemers, Margriet Miedema, & Celia W.G. van Gelder. (2021). Professionalising data stewardship in the Netherlands. Competences, training and education. Dutch roadmap towards national implementation of FAIR data stewardship. Zenodo. https://doi.org/10.5281/zenodo.4320504
MPEC 2023-Q06 : 2021 PC7
Creators: name: Minor Planet Center Staff
Publisher: name: The Minor Planet Center
Year: 2023
Subjects: subject: Small Solar System bodies
valueUri: http://astrothesaurus.org/uat/1469

description: The Minor Planet Electronic Circulars contain information on unusual minor planets, routine data on comets and natural satellites, and occasional editorial announcements.  They are published on behalf of Division F of the International Astronomical Union by the Minor Planet Center, Smithsonian Astrophysical Observatory, Cambridge, MA 02138, U.S.A.
Interference effects of tall buildings from neighbouring buildings under natural wind conditions
Creators: name: Ginger, J. D.
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.
A Quillen adjunction between algebras and operads, Koszul duality, and the Lagrange inversion formula
Creators: name: Dotsenko, Vladimir
Publisher: name: arXiv
Year: 2016
Subjects: subject: Category Theory (math.CT)
subject: Combinatorics (math.CO)
subject: K-Theory and Homology (math.KT)
subject: FOS: Mathematics
subject: 18D50 (Primary), 18G55, 55P48 (Secondary)

description: We define, for a somewhat standard forgetful functor from nonsymmetric operads to weight graded associative algebras, two functorial "enveloping operad" functors, the right inverse and the left adjoint of the forgetful functor. Those functors turn out to be related by operadic Koszul duality, and that relationship can be utilised to provide examples showing limitations of two standard tools of the Koszul duality theory. We also apply these functors to get a homotopical algebra proof of the Lagrange inversion formula.
description: 11 pages, comments are welcome
Spontaneous Baryogenesis from Axions with Generic Couplings
Creators: name: Domcke, Valerie
name: Ema, Yohei
name: Mukaida, Kyohei
name: Yamada, Masaki
Publisher: name: Deutsches Elektronen-Synchrotron, DESY, Hamburg
Year: 2020
Subjects: baryon: asymmetry
axion: coupling
electroweak interaction: sphaleron
lepton number: violation
operator: Weinberg
axion-like particles
baryogenesis
differential equations
velocity
rotation
algebra
thermal
gluon

description: Axion-like particles can source the baryon asymmetry of our Universe through spontaneous baryogenesis. Here we clarify that this is a generic outcome for essentially any coupling of an axion-like particle to the Standard Model, requiring only a non-zero velocity of the classical axion field while baryon or lepton number violating interactions are present in thermal bath. In particular, coupling the axions only to gluons is sufficient to generate a baryon asymmetry in the presence of electroweak sphalerons or the Weinberg operator. Deriving the transport equation for an arbitrary set of couplings of the axion-like particle, we provide a general framework in which these results can be obtained immediately. If all the operators involved are efficient, it suffices to solve an algebraic equation to obtain the final asymmetries. Otherwise one needs to solve a simple set of differential equations. This formalism clarifies some theoretical subtleties such as redundancies in the axion coupling to the Standard Model particles associated with a field rotation. We demonstrate how our formalism automatically evades potential pitfalls in the calculation of the final baryon asymmetry.
RIP $H b \bar b$: How other Higgs production modes conspire to kill a rare signal at the LHC
Creators: name: Pagani, Davide
name: Shao, Hua-Sheng
name: Zaro, Marco
Publisher: name: Deutsches Elektronen-Synchrotron, DESY, Hamburg
Year: 2020
Subjects: Higgs particle: hadroproduction
bottom: pair production
gluon: fusion
vector boson: fusion
interaction: Yukawa
CERN LHC Coll
background
electroweak interaction
quantum chromodynamics
higher-order: 1
suppression
new physics
Higgs particle: coupling

description: The hadroproduction of a Higgs boson in association with a bottom-quark pair ($H b \bar b$) is commonly considered as the key process for directly probing the Yukawa interaction between the Higgs boson and the bottom quark ($y_b$). However, in the Standard-Model (SM) this process is also known to suffer from very large irreducible backgrounds from other Higgs production channels, notably gluon-fusion ($gg$F). In this paper we calculate for the first time the so-called QCD and electroweak complete-NLO predictions for $H b \bar b$ production, using the four-flavour scheme. Our calculation shows that not only the $gg$F but also the $ZH$ and even the vector-boson-fusion channels are sizeable irreducible backgrounds. Moreover, we demonstrate that, at the LHC, the rate of these backgrounds is very large with respect to $H b \bar b$ production and in particular no suppression occurs at the differential level. Therefore, they survive typical analysis cuts. This fact further jeopardises the experimental measurement of SM $H b \bar b$ production at the LHC. Especially, unless the $y_b$ is significantly enlarged by new physics, even for beyond-the SM scenarios the direct determination of $y_b$ via this process seems to be hopeless at the LHC.
Speed profiles of isolated vehicles in residential streets
Creators: name: Pitcher, I. K.
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.
In silico trials to design potent inhibitors against matrilysin (MMP-7)
Creators: name: Katari, Sudheer Kumar
name: Pasala, Chiranjeevi
name: Nalamolu, Ravina Madhulitha
name: Bitla, Aparna R.
name: Umamaheswari, Amineni
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences

description: The study deals with structure-based rational drug design against the chief zinc-rely endopeptidase called matrilysin (MMP-7) that is involved in inflammatory and metastasis process of several carcinomas. Hyperactivated matrilysin of human was targeted, because of its hydrolytic actions on extracellular matrix (ECM) protein components constitutes fibrillar collagens, gelatins, fibronectins and it also activates zymogen forms of vital matrix metalloproteinases (gelatinase A-MMP-2 and B-MMP-9) responsible for ECM destruction in many cancers. In the present work, e-pharmacophores were generated for the respective five co-crystal structures of human matrilysin by mapping ligand’s pharmacophoric features. During the lead-optimization campaign, the five e-pharmacophores-based shape screening against an in-house library of >21 million compounds created a dataset of 5000 structural analogs. The subsequent three different docking strategies, including rigid-receptor docking, quantum-polarized-ligand docking, induced-fit docking and free energy binding calculations resulted four leads as novel and potent MMP-7 binders. These four leads were observed with good pharmacological features and good receiver operating characteristics curve metrics (ROC: 0.93) in post-docking evaluations against five existing co-crystal inhibitors and 1000 decoy molecules with MMP-7. Moreover, stability and dynamics behavior of matrilysin-lead1 complex and matrilysin-cocrystal ligand (TQJ) complex were analyzed in natural physiological milieu of 1000 ns or 1 µs molecular dynamics simulations. Lead1-MMP-7 complex was found with an average Cα root-mean-square deviation (RMSD) of 2.35 Å, average ligand root-mean-square fluctuations (RMSF) of 0.66 Å and the strong metallic interactions with E220, a key residue for proteolytic action thereby hinders ECM proteolysis that in turn can halt metastatic cancerous condition. Communicated by Ramaswamy H. Sarma