cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Identify natural compounds as novel phosphodiesterase-2A inhibitors
Creators: name: Zhang, Chen
name: Song, Guoqiang
name: Di, Wanhui
name: Gao, Ying
name: Chang, Shan
name: Chen, Zhou
name: Tang, Long
name: Kong, Ren
Publisher: name: Taylor & Francis
Year: 2025
Subjects: Biochemistry
Cell Biology
Molecular Biology
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer

description: Phosphodiesterase-2A (PDE2A) is a potential therapeutic target for the treatment of ganglion dysfunction-related diseases such as Alzheimer’s disease, schizophrenia, cognitive impairment, anxiety, and depression. However, most current PDE2A inhibitors have moderate selectivity compared to other PDEs. In this study, we described the discovery of 6 novel PDE2A inhibitors by bioassays, molecular docking, and molecular dynamics simulations. Six molecules out of 2592 compounds from the L6000-Natural Compound Library inhibited PDE2A with affinity ranging from 4.03 to 39.84 μM. Selective experiments were carried out on PDE4D, PDE5A, PDE9A, and PDE10A, among which 5-5H and 16-2H exhibited good dual inhibition against both PDE2A and PDE4D. Their IC50 values for PDE2A were 4.03 and 9.08 μM, respectively, and for PDE4D they were 3.89 and 10.96 μM, respectively. Molecular docking and molecular dynamics simulation were used to explore the binding modes of active compounds with PDE2A. It is shown that in addition to the common interactions with Gln859 and Phe862 of PDE2A, 6 molecules formed extra hydrogen bonds with Ile826 and Leu809. These molecules may serve as starting points for further optimization of selective PDE2A inhibitors.
Can Zakat Be Given to Support Health and Medical Treatment for Gaza War Victims According to Islamic Literature?
Creators: name: Yogisworo, Danang
Publisher: name: Zenodo
Year: 2025

description: To determine if Zakat can be allocated to support health and medical treatment for victims of the Gaza conflict, it is crucial to examine the principles of Zakat, the conditions governing its distribution, and the context of humanitarian assistance within Islamic teachings.

The author employs various AI platforms, harnessing their algorithms to compile, aggregate, and refine information into concise summaries. These summaries emphasize relevant and reliable data, while effectively eliminating redundancy and irrelevant content. (Yogisworo, 2025).
Penelopean Simaetha: A Flawed Paradigm of Femininity in Theocritus' Second Idyll
Creators: name: J. Nelson, Thomas
Publisher: name: Peeters
Year: 2020
Subjects: subject: Poetry, Ancient
subject: Classical literature
subject: Homer
subject: Intertextuality
subject: Greek poetry
subject: Greek literature

description: Scholars have long noted the deeply intertextual features of Simaetha's monologue in Idyll 2, including its Homeric, Sapphic and tragic resonances. In this contribution, however, I focus on an underexplored connection between Theocritus' speaker and the Odyssean Penelope. I first highlight the Idyll's pervasive engagement with heroic epic, dwelling especially on parallels with Callimachus' Hecale and Homer's Odyssey, before turning to investigate Simaetha's attempts to fashion herself on the paradigm of Odysseus' faithful wife. Through a series of verbal and situational parallels, I argue that she articulates an idealised vision of herself as the perfect match for the Odyssean Delphis. But as her narrative goes on to show, both she and her lover ultimately fail to live up to this Homeric model. In reality, she is merely one stop-off on Delphis' merry rounds of love, more like the Odyssean witch Circe than Odysseus' loyal and loving spouse.
title: Ð¨Ð°ÑÑÐ¸ Ð¾Ð´Ð½Ð¾Ð¾ÑÐ½Ð¾Ð³Ð¾ ÑÑÐ³Ð°ÑÐ° Ñ Ð³Ð¸Ð±ÑÐ¸Ð´Ð½Ð¾Ð¹ ÑÑÐ°Ð½ÑÐ¼Ð¸ÑÑÐ¸ÐµÐ¹
title: Ð²ÑÐ¿ÑÑÐºÐ½Ð°Ñ ÐºÐ²Ð°Ð»Ð¸ÑÐ¸ÐºÐ°ÑÐ¸Ð¾Ð½Ð½Ð°Ñ ÑÐ°Ð±Ð¾ÑÐ° Ð¼Ð°Ð³Ð¸ÑÑÑÐ°
titleType: Subtitle
title: Chassis of an uniaxial tractor with a hybrid transmission
Creators: name: Ð§ÐµÑÐµÐ¼Ð¸ÑÐ¸Ð½, ÐÐ¸ÑÐ¸Ð»Ð»
Publisher: name: Ð¡Ð°Ð½ÐºÑ-ÐÐµÑÐµÑÐ±ÑÑÐ³ÑÐºÐ¸Ð¹ Ð¿Ð¾Ð»Ð¸ÑÐµÑÐ½Ð¸ÑÐµÑÐºÐ¸Ð¹ ÑÐ½Ð¸Ð²ÐµÑÑÐ¸ÑÐµÑ ÐÐµÑÑÐ° ÐÐµÐ»Ð¸ÐºÐ¾Ð³Ð¾
Year: 2023
Subjects: ÐÐ²ÑÐ¾Ð¼Ð¾Ð±Ð¸Ð»ÑÐ½ÑÐµ ÑÐ°ÑÑÐ¸
Ð¢ÑÐ³Ð°ÑÐ¸
Ð¢ÑÐ°Ð½ÑÐ¼Ð¸ÑÑÐ¸Ð¸
Ð³Ð¸Ð±ÑÐ¸Ð´Ð½Ð°Ñ ÑÐ¸Ð»Ð¾Ð²Ð°Ñ ÑÑÑÐ°Ð½Ð¾Ð²ÐºÐ°
Ð¼ÐµÑ Ð°Ð½Ð¸Ð·Ð¼ ÑÐ°ÑÐ¿ÑÐµÐ´ÐµÐ»ÐµÐ½Ð¸Ñ Ð¼Ð¾ÑÐ½Ð¾ÑÑÐ¸
ÑÐ¿ÑÐ°Ð²Ð»ÐµÐ½Ð¸Ðµ Ð¿Ð¾Ð²Ð¾ÑÐ¾ÑÐ¾Ð¼
Ð¼Ð¾ÑÐ½Ð¾ÑÑÐ½Ð¾Ð¹ Ð±Ð°Ð»Ð°Ð½Ñ
hybrid power plan
power distribution mechanism
turn contorl
power balance

description: ÐÐ¾ÑÑÑÐ¾ÐµÐ½Ð° Ð¼Ð°ÑÐµÐ¼Ð°ÑÐ¸ÑÐµÑÐºÐ°Ñ Ð¼Ð¾Ð´ÐµÐ»Ñ ÑÐ»ÐµÐºÑÑÐ¾Ð¼ÐµÑÐ°Ð½Ð¸ÑÐµÑÐºÐ¾Ð³Ð¾ Ð¼Ð¾Ð´ÑÐ»Ñ Ð³Ð¸Ð±ÑÐ¸Ð´Ð½Ð¾Ð¹ ÑÑÐ°Ð½ÑÐ¼Ð¸ÑÑÐ¸Ð¸. ÐÑÐ¸Ð²ÐµÐ´ÐµÐ½ Ð¿ÑÐ¸Ð½ÑÐ¸Ð¿ Ð¾Ð¿ÑÐµÐ´ÐµÐ»ÐµÐ½Ð¸Ñ Ð²Ð½ÐµÑÐ½Ð¸Ñ Ð¿Ð°ÑÐ°Ð¼ÐµÑÑÐ¾Ð² Ð¸ Ð¼Ð¾ÑÐ½Ð¾ÑÑÐ½Ð¾Ð³Ð¾ Ð±Ð°Ð»Ð°Ð½ÑÐ° ÑÐ»ÐµÐºÑÑÐ¾Ð¼ÐµÑÐ°Ð½Ð¸ÑÐµÑÐºÐ¾Ð³Ð¾ Ð¼Ð¾Ð´ÑÐ»Ñ. ÐÐ°Ð½Ð° Ð¾ÑÐµÐ½ÐºÐ° ÑÐ¸Ð»Ð¾Ð²ÑÑ Ð¿Ð°ÑÐ°Ð¼ÐµÑÑÐ¾Ð² Ð³Ð¸Ð±ÑÐ¸Ð´Ð½Ð¾Ð¹ ÑÐ¸Ð»Ð¾Ð²Ð¾Ð¹ ÑÑÑÐ°Ð½Ð¾Ð²ÐºÐ¸ Ð¾Ð´Ð½Ð¾Ð¾ÑÐ½Ð¾Ð¹ ÑÑÐ³Ð¾Ð²Ð¾-ÑÑÐ°Ð½ÑÐ¿Ð¾ÑÑÐ½Ð¾Ð¹ Ð¼Ð°ÑÐ¸Ð½Ñ. ÐÑÐ¾Ð²ÐµÐ´ÐµÐ½Ð° ÑÐ°ÑÑÐµÑÐ½Ð°Ñ Ð¾ÑÐµÐ½ÐºÐ° Ð²Ð½ÐµÑÐ½Ð¸Ñ Ð¿Ð°ÑÐ°Ð¼ÐµÑÑÐ¾Ð² ÑÐ¿ÑÐ°Ð²Ð»ÑÐµÐ¼Ð¾Ð³Ð¾ Ð¼ÐµÑÐ°Ð½Ð¸Ð·Ð¼Ð° ÑÐ°ÑÐ¿ÑÐµÐ´ÐµÐ»ÐµÐ½Ð¸Ñ Ð¼Ð¾ÑÐ½Ð¾ÑÑÐ¸ Ð¾Ð´Ð½Ð¾Ð¾ÑÐ½Ð¾Ð¹ Ð¼Ð°ÑÐ¸Ð½Ñ, ÑÐ°ÑÑÑÐ¸ÑÐ°Ð½Ñ ÑÐ¾ÑÑÐ°Ð²Ð»ÑÑÑÐ¸Ðµ ÐµÐ³Ð¾ Ð¼Ð¾ÑÐ½Ð¾ÑÑÐ½Ð¾Ð³Ð¾ Ð±Ð°Ð»Ð°Ð½ÑÐ°. ÐÑÐµÐ½ÐµÐ½Ð° Ð²Ð¾Ð·Ð¼Ð¾Ð¶Ð½Ð¾ÑÑÑ ÑÐ¸Ð»Ð¾Ð²Ð¾Ð³Ð¾ Ð¿Ð¾Ð²Ð¾ÑÐ¾ÑÐ° Ð¾Ð´Ð½Ð¾Ð¾ÑÐ½Ð¾Ð¹ Ð¼Ð°ÑÐ¸Ð½Ñ.
description: A mathematical model of the electromechanical module of a hybrid transmission has been created. The principle of determining the external parameters and power balance of the electromechanical module is given. Power parameters of a hybrid power plant of a uniaxial vehicle are calculated. A computational assessment of the external parameters of the controlled power distribution mechanism of a uniaxial vehicle has been carried out, and the components of its power balance have been calculated. The possibility of power rotation of a uniaxial machine is estimated.
Detecting element migration from ore systems: an LA-ICP-MS method for the in-situ measurement of element contents and 207Pb/206Pb values on rough fracture coatings
Creators: name: Pilsworth, Collette
name: Layton-Matthews, Daniel
name: Leybourne, Matthew I.
name: Voinot, Alexandre
name: Chipley, Donald
Publisher: name: Geological Society of London
Year: 2024
Subjects: classificationCode: 3705
subject: Geology
subject: FOS: Earth and related environmental sciences

description: Supplementary Material.
1,2,3-Triazole naphthaldehyde compounds and their oxime derivatives: in vitro and in silico DNA binding properties
Creators: name: Acuz, Ahmet
name: Güngör, Özge
name: Kılıçaslan, Derya
name: Güngör, Seyit Ali
name: Köse, Muhammet
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Physical Sciences not elsewhere classified
subject: Medicine
subject: Pharmacology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology

description: In this work, we report the synthesis and DNA binding properties of a series of 1,2,3-triazole naphthaldehyde compounds and their oxime derivatives. The 1,2,3-triazole naphthaldehyde compounds (1a–1f) were prepared by the Cu(I) catalysed click reactions. The 1,2,3-triazole naphthaldehyde compounds (1a-1f) were then reacted with hydroxyl amine to yield 1,2,3-triazole oxime compounds (2a–2f). The structures of all compounds were characterized by Fourier-transform ınfrared spectroscopy, Nuclear magnetic resonance and elemental analysis. Crystal structures of compounds 1a, 1c, 1f, 2c and 2d were investigated by single crystal X-ray crystallography. The compounds were evaluated for their DNA binding properties via in vitro spectrophotometric and in silico molecular docking studies. The compounds were found to interact with DNA via a groove binding mode with considerable the binding constants. The groove binding mode of interactions were also suggested by fluorescence ethidium bromide replacement experiments and viscosity studies. Binding interactions of the compounds with DNA have also been studied by molecular docking studies.
A micro-opto-mechanical glass interferometer for megahertz modulation of optical signals
Creators: name: Memeo, Roberto
name: Crespi, Andrea
name: Osellame, Roberto
Publisher: name: arXiv
Year: 2024
Subjects: subject: Optics (physics.optics)
subject: Applied Physics (physics.app-ph)
subject: FOS: Physical sciences

description: Waveguide-based interferometric circuits are widely employed in optical communications, sensing and computing applications. In particular, glass-based devices are appealing due to the transparency and bio-compatibility of this substrate, or where low-loss interfacing with fiber networks is required. However, fast electro-optic phase modulation is hard to achieve in glass materials. Here, we demonstrate an optical phase and intensity modulator in glass, working in the megahertz range. This modulator exploits the elasto-optic effect inside a mechanical microstructure, brought to oscillation at resonance, and is entirely realized by femtosecond laser micromachining. In detail, we demonstrate 23-dB optical intensity modulation at 1.17 MHz, with an internal optical loss of the phase-modulator component as low as 0.04 dB.
description: Raw data of the graphs reported in the figures are publicly available on Zenodo (https://doi.org/10.5281/zenodo.11354220)
CHEMICAL WATER QUALITY CHANGES ALONG A STREAM AT AN ABANDONED PB-ZN MINING SITE
Creators: name: Kovács, Elza
name: Omanović, Dario
name: Pižeta, Ivanka
name: Bilinski, Halka
name: Frančišković-Bilinski, Stanislav
name: Tamás, János
Publisher: name: European Chemical Bulletin
Year: 2012

description: In this study, chemical water quality changes downstream a pool-riffle type stream located at a former Pb-Zn mining site are discussed. The watershed of the Toka stream (Mátra mountain, Hungary) being under rehabilitation is still continuously affected by a neutralised acidic mine drainage, and temporarily, by an abandoned mine tailing. Upstream the AMD confluence which gives the major part of the water flux in dry season, indeed, the stream is of high water quality, while, directly after that, the electric conductivity is app. quintupled, and the pH as well as the trace element concentrations increase, as expected. However, within 10 kilometres, Fe, Zn and Pb concentrations are all remarkably decreased in relation to the distance from the contamination source, and they almost reach the actual background levels. The electric conductivity does not show significant change along the investigated section of the stream, which would indicate dilution. At the same time, presence of amorphous Fe(OH)3 in the sediment is obvious, based on the pH-Eh relations and geochemical analysis, thus the adsorption processes have considerable role in the decrease of trace element concentrations in solution.
description: European Chemical Bulletin, Vol 2, No 1 (2013): European Chemical Bulletin
MUTUAL SPECTROPHOTOMETRIC DETERMINATION OF MOXIFLOXACIN DRUG AND IRON(III) IONS BY FORMATION OF A COMPLEX COMPOUND
Creators: name: El-Hawary, W. F.
name: Al-Gethami, F. K.
Publisher: name: European Chemical Bulletin
Year: 2012

description: A simple, new and sensitive spectrophotometric method has been developed for the quantitative determination of the drug Moxifloxacin HCl (MOX), in pure form and in pharmaceutical formulation; and Fe(III) ions. The method was based on the formation of a colored complex between the drug and Fe(III) ions. The maximum absorption wavelength was 450 nm for determination of both MOX and Fe(III) ions. Beer’s law was obeyed in the concentration range of 14.45 – 394.2  µg mL-1 (r2 = 0.998) for determination of MOX and 2.8 – 22.4 µg mL-1 (r2 = 0.97) for determination of Fe(III) ions. The conditions for complex formation were studied and optimized to obtain the highest absorbance available. The method was successfully applied for the analysis of commercial tablets (Maxim), and the recovery study reveals that there is no interference from the common excipients that are present in tablets. The results obtained by the proposed method were compared with that obtained by a standard reference one. Statistical comparison of the results was performed with regard to accuracy and precision using student’s t-test and F-test at 95% confidence level. The results proved that there no any significant difference, regarding accuracy and precision, between the two compared methods.
description: European Chemical Bulletin, Vol 2, No 1 (2013): European Chemical Bulletin
POLLUTANT ELEMENTS IN SOIL- PLANT- ANIMAL SYSTEM IN INDIA AND FUTURE THRUST AREAS
Creators: name: Narwal, R. P.
name: Dahiya, R. R.
name: Malik, R. S.
Publisher: name: European Chemical Bulletin
Year: 2012

description: Increasing concentration of pollutant elements due to rapid industrialization and urbanization is now a global threatening to soil, plant and animal health and affecting 40 % of the world population. Trace minerals of natural feeds is determined primarily by the mineral composition from the soil and secondly by the actual mineral composition of soil. Widespread deficiencies of Ca, P, Zn and Cu in south Karnataka, excessive Se and Mo in central part of Punjab, Arsenic in lower Indo- Gangetic plains of West Bengal through ground water are causing much toxicity to animal and human.  Clearly, closely linking agriculture to animal health must be accomplished if we are to find sustainable solutions to pollutant element deficiencies and associated diet related chronic disease affecting animal health. The deficiency or toxicity of minerals is an area problem. Although, geogenic trace elements toxicities have also caused wide health problems but higher concentration of pollutant elements in soils may lead to an excessive accumulation of metals by plants grown on such soils and may create animal- human health problems. Dysfunctional food systems are mainly responsible for this global crisis in animal- human health. Much of this malnutrition is the result of insufficient intakes of available trace elements in animal’s diets. There are numerous ways in which agriculture can contribute to improving animal nutrition and health. Importantly, agricultural systems are the foundation upon which all nutrients enter into the animal food chain. Only through linking agricultural systems to animal nutrition can sustainable solutions. In this paper strategies and future thrust areas for research and for corrective measures of trace elements deficiencies and improvement of animal’s health are specified.
description: European Chemical Bulletin, Vol 2, No 1 (2013): European Chemical Bulletin
Sesamin regulates breast cancer through reprogramming of lipid metabolism
Creators: name: Patil, Prajakta
name: Chaudhary, Amol
name: Bhandare, Vishwambhar Vishnu
name: Patil, Vishal S.
name: Beerwala, Faizan A.
name: Karoshi, Veeresh
name: Sonawane, Kailas D.
name: Mali, Aniket
name: Kaul-Ghanekar, Ruchika
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Physiology
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Cancer
subject: Hematology
subject: Computational Biology

description: Metabolic reprogramming is one of the hallmarks of breast cancer (BC), involving elevated synthesis and uptake of lipids, for catering to increased energy demand of cancer cells and to suppress the host immune system. Besides promoting proliferation and survival of BC cells, lipid metabolism reprogramming (LMR) is associated with stemness and chemoresistance. Recently, lignans have been reported for their therapeutic potential against different cancers, including BC. Here, we explored the potential of lignans to target LMR pathways in BC through computational approach. Initially, 88 lignans having potential anticancer activities, underwent druglikeness and pharmacokinetics analysis, displaying promising pharmacokinetic properties, except for 13 molecules with violations. Molecular docking assessed the interaction of 88 lignans (NPACT) with therapeutic targets of LMR including 3-Hydroxy-3-methyl-glutaryl-coenzyme A reductase (HMGCR), Sterol regulatory element-binding proteins 1 and 2 (SREBP1 and 2), Low-density lipoprotein receptor (LDLR), Acetyl-CoA Acetyltransferase 1 (ACAT1), ATP-binding cassette transporter (ABCA1), Liver X receptor α (LXRα), Apolipoprotein A1 (APOA1), Fatty Acid Synthase (FASN), Peroxisome proliferator-activated receptor gamma (PPARG), Stearoyl-CoA desaturase (SCD1), Acetyl-CoA carboxylase 1 and 2 (ACC1/ACACA, and ACC2/ACACB). In silico screening revealed sesamin (SE) as the best-identified hit that showed stable and consistent binding with all the selected targets of LMR. The stability of these complexes was validated by a 100 ns simulation run, and their binding free energy calculation was determined by MM-PBSA method. Interestingly, SE modulated the mRNA expression of genes involved in LMR in BC cell lines, MCF-7 and MDA-MB-231, thereby suggesting its potential as an inhibitor of LMR.
VARIETY OF STRUCTURES OF BINUCLEAR CHIRAL SCHIFF BASE CE(III)/PR(III)/LU(III)-NI(II)/CU(II)/ZN(II) COMPLEXE
Creators: name: Hayashi, Tomoko
name: Shibata, Haruhiko
name: Orita, Shingo
name: Akitsu, Takashiro
Publisher: name: European Chemical Bulletin
Year: 2012

description: We have prepared and characterized several 3d-4f (Ni(II), Cu(II) and Zn(II) transition metal ions and Ce(III), Pr(III), and Lu(III) lanthanide metal ions) complexes incorpolating chiral Schiff base ligands (abbreviated as CeNi, CeCu, CeZn, PrNi, PrCu, PrZn, LuNi, LuCu, and LuZn, respectively). Solid-state CD spectra and diffuse reflectance electronic spectra exhibited reasonable shift by combination of 3d and 4f ions at charge-transfer region. Magnetic features (antiferromagnetic interactions, if any) also exhibited substitution of 3d-4f ions of siamagnetic or paramagnetic spin numbers. Interestingly, determined crystal structures of some of them exhibited different structural chacters about coordination numbers, crystalline solvents, and dimetic (or bridging) features nevertheless of 3d-4f metal substituion in identical organic ligands.
description: European Chemical Bulletin, Vol 2, No 1 (2013): European Chemical Bulletin
Introduction To Atlas Case Study 5: Porcupine Seabight
Creators: name: Grehan, Anthony
name: Smith, Luke
Publisher: name: Zenodo
Year: 2016

description: 5. Porcupine Seabight

Introductory presentation given at the 1st ATLAS General Assembly, June 2016.

The Porcupine Seabight (PSB), off the west coast of Ireland, is an area that has been intensely researched for decades. Notwithstanding historical research presence in the area, the importance of PSB cold-water corals only came to prominence at the beginning of this century. Indeed the Belgica Mound province was one of four areas designated by the Irish authorities as a candidate Special Area of Conservation under the European Union’s Habitats Directive in 2006 – the first offshore SACs in the EU. In recent times, there has been an increase in interest in oil and gas exploration in the PSB. The coverage of oil and gas exploration concessions in the most recent Atlantic Margin licensing round in 2015. Given the presence of several other stakeholders in the PSB associated with fishing, cable and telecommunications, scientific research and conservation, the PSB is an ideal candidate to develop maritime spatial planning approaches within ATLAS.

Blue Growth Sectors: Biotechnology, Fisheries, Oil and Gas
Bayesian Shrinkage Methods for Linear Regression
Creators: name: TEW, SHU YU
Publisher: name: Monash University
Year: 2024
Subjects: classificationCode: 490508
subject: Statistical data science

description: This thesis presents new linear regression estimators that perform simultaneous model parameter estimation and hyperparameter tuning within a Bayesian framework, including settings where the regression coefficient exhibits sparsity, or when the predictors have a natural grouping structure. We examine three different shrinkage estimators - the Bayesian horseshoe, Bayesian ridge, and Bayesian Lasso. We also introduced an adaptive estimator that performs well in problems with varying sparsity levels and signal-to-noise ratio strengths, making it a reasonable default estimator when there is no prior knowledge about the sparsity level of the problem.
Additional file 1 of Outcome and complication comparison for intramedullary nail versus open reduction internal fixation in humeral diaphyseal fractures for 2800 matched patient pairs utilizing the Nationwide Readmissions Database
Creators: name: Oldenburg, Kirsi S.
name: Welsh, Megan E.
name: Goodloe, Jonathan Brett
name: Friedman, Richard J.
name: Eichinger, Josef K.
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Cell Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Sociology
subject: FOS: Sociology
subject: Developmental Biology
subject: Science Policy
subject: Mental Health
subject: Hematology

description: Additional file 1. Table 1. ICD-10 Codes for Identifying IMN and ORIF Cases.
Introduction To Atlas Case Study 6: Bay Of Biscay
Creators: name: Lenacik Menot
Publisher: name: Zenodo
Year: 2016

description: 6. Bay of Biscay

Introductory presentation given at the 1st ATLAS General Assembly, June 2016.

The continental margin of the northern Bay of Biscay is divided into the Celtic and Armorican margins, which are both characterised by a relatively broad continental shelf and a steep, canyon-dominated, slope. Historical data on the occurrences of frame-building scleractinian cold-water corals, antipatharians, gorgonians and large sponges in the Bay of Biscay has mainly come from fisheries surveys. More recent studies confirmed the occurrence of cold-water coral habitats, at the boundary between the Eastern North Atlantic Central Water (ENACW) and the Mediterranean Outflow Water (MOW). The distribution of Lophelia pertusa and Madrepora oculata is skewed towards the northern half of the Bay. The two reef-building species co-occur in reefs of the Bay of Biscay but show different genetic and historical patterns in the NE Atlantic. Populations of L. pertusa are genetically homogeneous from Iceland to the Mediterranean Sea while populations of M. oculata from Iceland, Ireland, the Bay of Biscay and the Mediterranean Sea are genetically distinct. The exploration of the canyons in the Bay of Biscay was guided by historical data, dating back to the 19th to mid-20th centuries. In many cases, historical records of L. pertusa and M. oculata reefs turned out to be coral rubbles on the upper slope and interfluves of canyons, while living corals were mainly found along the flanks of the canyons.

The known anthropogenic pressures on the deep-seafloor of the Bay of Biscay include litter and fisheries. The distribution of litter in canyons has been assessed from imagery surveys. Fisheries pressure is quantified from VMS and logbook data, which, together with annual fisheries surveys provide information on the distribution of fish species. To date, fisheries management measures are species-specific and include interdiction, TAC or ancillary measures such as size limits. Although there is as yet no marine protected area on the slope of the Bay of Biscay, a proposal for a Natura 2000 network for reefs has been developed and should be implemented in 2017. Management rules of this N2000 network might include regulations on fisheries to protect VMEs.

Blue Growth Sectors: Biotechnology, Fisheries
Design, synthesis and investigation of new imidazole derivatives with biological activities and antifungal effects
Creators: name: Peçe, Sare
name: Osmaniye, Derya
name: Özkan, Begüm Nurpelin Sağlık
name: Levent, Serkan
name: Ozkay, Yusuf
name: Kaplancıklı, Zafer Asım
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Science Policy
subject: Biological Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Plant Biology

description: Fungal infections are important types of infection that annually cause the death of many people around the world. Therefore, new antifungal agents that are more effective and less toxic are constantly needed. In this study, new imidazole derivatives were synthesized and their antifungal activities were investigated. Compound 5d showed antifungal activity against Candida albicans, Candida parapsilosis and Candida krusei with a minimum inhibitory concentration (MIC50) of 0.98 µg/mL. While compound 5e showed antifungal effects against C. albicans and C. parapsilosis with MIC50 of 0.98 µg/mL, it displayed potent antifungal activity against C. krusei with MIC50 of 1.96 µg/mL. Compound 5h exhibited antifungal activity against C. albicans and C. parapsilosis with MIC50 of 1.96 and 0.98 µg/mL, respectively. It is known that azole group antifungals inhibit ergosterol biosynthesis by inhibiting the 14α-demethylase enzyme. For this reason, in the present study in silico studies were performed on 14α-demethylase enzyme crystal (PDB ID: 1EA1). Molecular docking and dynamics studies were conducted to examine the binding modes of the active compounds (5d, 5e and 5h). The results of the in silico studies agreed with the biological activity results.
Phytoconstituents from Artemisia annua medicinal plant as potent inhibitors targeting Salmonella SpvB: a molecular docking and dynamic study
Creators: name: Almufarriji, Fawaz M.
name: Alotaibi, Bader S.
name: Alamri, Ahlam Saleh
name: Alkhalil, Samia S.
name: Alwethaynani, Maher S.
Publisher: name: Taylor & Francis
Year: 2025
Subjects: Biochemistry
Medicine
Pharmacology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified

description: Salmonella, a genus with a global presence, is a leading cause of diarrheal diseases in both humans and animals. With over 2,400 distinct serotypes, most exhibiting minimal host specificity, Salmonella infection remains a significant public health issue. It poses a substantial economic burden on both developed and developing nations due to the costs associated with disease surveillance, prevention, and treatment. To address this global challenge, it is essential to explore cost-effective therapeutic interventions derived from medicinal plants. In this study, we targeted the Salmonella SpvB ATR domain for molecular docking of phytochemical compounds. A library of 392 phytochemical compounds from the Artemisia annua (Sweet wormwood) medicinal plant was utilized. In the initial screening, the top 20 phytochemical compounds were selected based on their high binding affinity toward SpvB. These 20 compounds underwent interaction analysis, revealing that two compounds, IMPHY004808 and IMPHY015047, formed crucial interactions. The IMPHY004808 compound bound at binding site residues ARG414, ARG471, LEU473, and GLU538, with residue SER501 present at the active site. Similarly, the IMPHY015047 compound formed bonds at binding site residues ARG471, ARG414, GLY472, and GLU538, while residue SER501 was present at the active site of SpvB. The trajectory analysis of 500 ns MD simulation, including deviation, fluctuation, compactness, surface area calculation, secondary structure element alterations, and hydrogen bond analysis, showed that the complexes were stable during the simulation time. Moreover, PCA with minimal vibration, FEL analysis and MMPBSA analysis strongly recommend that the complexes were stable and further validation with experimentation is needed.
Designing highly efficient heterocyclic inhibitors for SARS-CoV-2 3C-like proteinase: a comprehensive in silico study
Creators: name: Nor, Nabil
name: Zahm, Soukaina
name: Abdallaoui, Habib El Alaoui El
name: Kerraj, Said
name: Naji, Naima
name: Mazoir, Noureddine
name: Komiha, Najia
name: Marakchi, Khadija
name: Salah, Mohammed
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences

description: To address the limitations of current COVID-19 treatments, we conducted an integrated in-silico investigation to design potential drugs with proven efficacy against the virus. We developed Quantitative Structure-Activity Relationship (QSAR) models using a database of 63 Aromatic heterocyclic compounds, focusing on key parameters Effective Diameter (ED) and Diameter Maximum (DM). Our models, utilizing multi-linear regression (MLR) and Artificial Neural Network (ANN), were validated according to OECD principles and successfully used to predict unexplored aromatic heterocyclic compounds with Pyridine Cores. Compound 4 (Dexbrompheniramine) exhibited high inhibition against the SARS coronavirus 3 C-like protease, leading to the design of two new molecules (compounds 15 and 16) with enhanced activity based on structural enhancements from the QSAR model. Docking studies and molecular dynamics simulations confirmed the improved binding energies and stability of compounds 15 and 16, with compound 15 showing remarkable stability and strong binding affinity with the 3 C-like proteinase (1P9U). This comprehensive in-silico review identifies compound 15 as a promising candidate for experimental evaluation as a potential COVID-19 drug, highlighting a significant advancement in our battle against the pandemic.
"Mapping Caribbean Cyberfeminisms"
Creators: name: Haynes, Tonya
name: Haynes, Tonya
Publisher: name: Humanities Commons
Year: 2020
Subjects: subject: History
subject: Feminism

description: Curatorial note from Digital Pedagogy in the Humanities: Tonya Haynes is founder of the Red for Gender blog, one of the most important digital Caribbean feminist networks operating today, as well as the CatchAFyah Caribbean Feminist Network. Haynes, as someone operating in digital and diaspora activist spaces, offers an illuminating read of the development and reach of Caribbean feminism online. This essay is part of the inaugural issue of the born-digital publication, sx:archipelagos. sx:archipelagos provides an independent space for peer review, digital artifacts, and research. Instructors can assign it as a reading in digital humanities, Caribbean, and communications courses, and students will find the essay useful as an overview of how digital diasporas operate, form, and organize around political issues (like ending violence against women).
Bioactive fungal compounds as potential anti-HIV agents against HIV-1 protease: a multi-faceted molecular modelling approach for drug discovery
Creators: name: Panda, Madhusmita
name: Purohit, Priyanka
name: Barik, Debashis
name: Dansana, Jarmani
name: Meher, Biswa Ranjan
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Evolutionary Biology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology

description: HIV-PR is a prominent pharmacological target that is driving the development of various possible HIV inhibitors. Unfortunately, the viral strain population has evolved to be even more resistant to medications; therefore, studying the dynamic structures of both WT and mutant viruses, besides their interactions with inhibitors, may be advantageous. Molecular dynamics analyses and free-energy calculations on the WT and four important resistance mutants (V82F, I84V, I50V, and V82F/I84V) of HIV-PR complexed with fungal compounds were performed to completely examine the mechanism of HIV-PR drug resistance. To determine precise binding free energies, we utilized an MM/GBSA method based on molecular mechanics. In this study, we found that compared to WT and single mutants, the double mutant (V82F/I84V) exhibited less flexibility and less curling of the flap tips. Contradiction with prior studies, our data reveal that the double mutant (V82F/I84V) facilitates binding affinity, suggesting that this variant may be particularly well suited to Ganomycin-I. The energy decomposition study shows that an increase in Evdw energy by 6.56 kcal/mol is responsible for much of the increased binding observed for the double mutant (V82F/I84V) HIV-PR, which plays a direct role in increasing the binding affinity by approximately −1.62 (Val82′ to Phe82′) and −1.08 (Ile84′ to Val84′) kcal/mol, accounts for 41% of the total gain of the binding affinity. In addition to the direct impacts of Phe82′ and Val84′, the residues Gly27, Ala28, Asp29, Asp30, Ile47, and Ile50 each contribute more than −1 kcal/mol to the enhanced binding affinity of (V82F/I84V) HIV-PR towards the inhibitor.
REPOSITIONING MARKETING TACTICS AMIDST ECONOMIC AND BANKING HURDLES IN PORT HARCOURT
Creators: name: Okoro, Chidinma Grace
Publisher: name: AYDEN JOURNAL
Year: 2025
Subjects: Marketing, Banking, Economy, SMEs

description: This study investigates the challenges faced by small and medium-sized enterprises (SMEs) in Port Harcourt, Nigeria, particularly in relation to banking barriers and economic factors, and explores how SMEs employ marketing strategies to navigate these obstacles. SMEs in Port Harcourt, which are critical to the Nigerian economy, struggle with limited access to finance, high-interest rates, stringent collateral requirements, and an unsupportive banking environment. Moreover, macroeconomic challenges such as inflation, currency depreciation, and the volatility of oil prices further intensify these financial constraints. Using a mixedmethods approach, this research combines a quantitative survey of 360 SMEs and qualitative interviews with 15 key stakeholders (including SME owners, banking professionals, and policymakers). Findings show that inflation in operational costs (88.9%) and high-interest rates (69.4%) are the most significant challenges faced by SMEs, while limited access to credit remains a key barrier. Despite these hurdles, SMEs have increasingly turned to digital marketing strategies, with 75% reporting increased sales, 85% noting greater brand awareness, and 70% experiencing higher customer retention through digital channels. The study also highlights the growing role of financial technology (FinTech) platforms, which provide SMEs with alternative financing options that bypass traditional banking systems. The research concludes that, while financial barriers remain formidable, SMEs in Port Harcourt can significantly benefit from adopting digital marketing tools and leveraging FinTech solutions. Recommendations are made for SMEs to enhance their digital marketing efforts and for policymakers to create more inclusive financial systems that support SME growth and resilience
Digital Divides: Annotated Bibliography Assignment
Creators: name: Perez, Annemarie
name: Perez, Annemarie
Publisher: name: unknown
Year: 2020
Subjects: subject: Social justice

description: Curatorial note from Digital Pedagogy in the Humanities: This artifact has students collectively construct an annotated bibliography using materials about digital divides published on a research group's Web site. This assignment teaches library database research as students locate and retrieve scholarly books and articles, read them, and create summary annotations relative to course discussion on digital divides. This assignment is particularly appropriate for first-year university students learning to use library research databases and scholarly citation styles. It also is significant in asking students to determine and reflect on the differences between scholarly and popular publications. This reflection could lead to a discussion of the paywall digital divide that separates people who are not part of the university community from being able to access peer-reviewed research.
description: Curatorial note from Digital Pedagogy in the Humanities: This artifact has students collectively construct an annotated bibliography using materials about digital divides published on a research group's Web site. This assignment teaches library database research as students locate and retrieve scholarly books and articles, read them, and create summary annotations relative to course discussion on digital divides. This assignment is particularly appropriate for first-year university students learning to use library research databases and scholarly citation styles. It also is significant in asking students to determine and reflect on the differences between scholarly and popular publications. This reflection could lead to a discussion of the paywall digital divide that separates people who are not part of the university community from being able to access peer-reviewed research.
Digital Divides: Annotated Bibliography Assignment
Creators: name: Perez, Annemarie
Publisher: name: Humanities Commons
Year: 2020
Subjects: subject: Social justice

description: Curatorial note from Digital Pedagogy in the Humanities: This artifact has students collectively construct an annotated bibliography using materials about digital divides published on a research group’s Web site. This assignment teaches library database research as students locate and retrieve scholarly books and articles, read them, and create summary annotations relative to course discussion on digital divides. This assignment is particularly appropriate for first-year university students learning to use library research databases and scholarly citation styles. It also is significant in asking students to determine and reflect on the differences between scholarly and popular publications. This reflection could lead to a discussion of the paywall digital divide that separates people who are not part of the university community from being able to access peer-reviewed research.
Appendix – Supplemental material for The Development of a Critical–Creative Reading Assessment Based on Problem Solving
Creators: name: Endah Tri Priyatni
Publisher: name: SAGE Journals
Year: 2020
Subjects: subject: 200199 Communication and Media Studies not elsewhere classified
subject: FOS: Media and communications
subject: 160299 Criminology not elsewhere classified
subject: FOS: Law
subject: Education
subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology
subject: Sociology
subject: FOS: Sociology

description: Supplemental material, Appendix for The Development of a Critical–Creative Reading Assessment Based on Problem Solving by Endah Tri Priyatni and Martutik in SAGE Open
Digital Diversity Syllabus
Creators: name: Farman, Jason
name: Perez, Annemarie
Publisher: name: unknown
Year: 2020
Subjects: subject: Race
subject: Communities

description: Curatorial note from Digital Pedagogy in the Humanities: This artifact is the syllabus of a semester-length course examining the social and cultural impact of electronic media. Students accomplish this examination by spending a significant part of the semester exploring and participating in an electronic community while keeping a weekly journal and drawing connections between their experiences in this online community and assigned course readings. The assigned readings for the class include foundational texts about relations between digital technology and demographic issues of race, gender, and class, and current works of journalism. After their community experiences, students design and create Web sites for their assigned groups to share and display their journal content. In addition to these journal and Web site assignments, the course also calls for a traditional research paper looking at academic research on the subject. The course is significant in its combining of digital divides study with the exploration of online communities and the creation of digital research content.
description: Curatorial note from Digital Pedagogy in the Humanities: This artifact is the syllabus of a semester-length course examining the social and cultural impact of electronic media. Students accomplish this examination by spending a significant part of the semester exploring and participating in an electronic community while keeping a weekly journal and drawing connections between their experiences in this online community and assigned course readings. The assigned readings for the class include foundational texts about relations between digital technology and demographic issues of race, gender, and class, and current works of journalism. After their community experiences, students design and create Web sites for their assigned groups to share and display their journal content. In addition to these journal and Web site assignments, the course also calls for a traditional research paper looking at academic research on the subject. The course is significant in its combining of digital divides study with the exploration of online communities and the creation of digital research content.
Digital Diversity Syllabus
Creators: name: Farman, Jason
name: Farman, Jason
Publisher: name: Humanities Commons
Year: 2020
Subjects: subject: Communities
subject: Race

description: Curatorial note from Digital Pedagogy in the Humanities: This artifact is the syllabus of a semester-length course examining the social and cultural impact of electronic media. Students accomplish this examination by spending a significant part of the semester exploring and participating in an electronic community while keeping a weekly journal and drawing connections between their experiences in this online community and assigned course readings. The assigned readings for the class include foundational texts about relations between digital technology and demographic issues of race, gender, and class, and current works of journalism. After their community experiences, students design and create Web sites for their assigned groups to share and display their journal content. In addition to these journal and Web site assignments, the course also calls for a traditional research paper looking at academic research on the subject. The course is significant in its combining of digital divides study with the exploration of online communities and the creation of digital research content.
Additional file 1 of The sound of stress recovery: an exploratory study of self-selected music listening after stress
Creators: name: Adiasto, Krisna
name: van Hooff, Madelon L. M.
name: Beckers, Debby G. J.
name: Geurts, Sabine A. E.
Publisher: name: figshare
Year: 2024
Subjects: subject: Cell Biology
subject: Neuroscience
subject: Sociology
subject: FOS: Sociology
subject: Science Policy
subject: Mental Health

description: Additional file 1. Complete list of participant nationalities.
Race and the Digital
Creators: name: Carpio, Genevieve
name: Perez, Annemarie
Publisher: name: unknown
Year: 2020
Subjects: subject: Race

description: Curatorial note from Digital Pedagogy in the Humanities: This artifact, a Scalar site, is several different objects. First it is a digital book of a course taught at the University of California, Los Angeles, in the Chicano studies department exploring issues surrounding race and the digital. As such, it connects to a course syllabus on racial formation and digital studies. The course looks at digital divides through issues such as freeway building in Los Angeles and artistic movements such as Judith Baca's Wall of Los Angeles. Through its directly addressing digital studies through a cultural lens, the artifact then unfolds further to allow a reading of student projects, which looked at various types of social media through a cultural studies lens. This artifact could form the basis for other digital humanities courses that center on issues of race, ethnic, and cultural studies and on a creative use of Scalar in the digital studies classroom.
description: Curatorial note from Digital Pedagogy in the Humanities: This artifact, a Scalar site, is several different objects. First it is a digital book of a course taught at the University of California, Los Angeles, in the Chicano studies department exploring issues surrounding race and the digital. As such, it connects to a course syllabus on racial formation and digital studies. The course looks at digital divides through issues such as freeway building in Los Angeles and artistic movements such as Judith Baca's Wall of Los Angeles. Through its directly addressing digital studies through a cultural lens, the artifact then unfolds further to allow a reading of student projects, which looked at various types of social media through a cultural studies lens. This artifact could form the basis for other digital humanities courses that center on issues of race, ethnic, and cultural studies and on a creative use of Scalar in the digital studies classroom.
sj-pdf-1-smm-10.1177_0962280220924680 - Supplemental material for Integrating latent classes in the Bayesian shared parameter joint model of longitudinal and survival outcomes
Creators: name: Eleni-Rosalina Andrinopoulou
name: Nasserinejad, Kazem
name: Szczesniak, Rhonda
name: Rizopoulos, Dimitris
Publisher: name: SAGE Journals
Year: 2020
Subjects: subject: 111708 Health and Community Services
subject: FOS: Health sciences
subject: 111099 Nursing not elsewhere classified
subject: 160807 Sociological Methodology and Research Methods
subject: FOS: Sociology

description: Supplemental material, sj-pdf-1-smm-10.1177_0962280220924680 for Integrating latent classes in the Bayesian shared parameter joint model of longitudinal and survival outcomes by Eleni-Rosalina Andrinopoulou, Kazem Nasserinejad, Rhonda Szczesniak and Dimitris Rizopoulos in Statistical Methods in Medical Research
Elucidating the interaction between MTDH, an oncoprotein with UPR signalling molecule IRE1α under cellular stress
Creators: name: Ramzan, Khalida
name: Hazari, Younis
name: Bashir, Arif
name: Majeed, Younis
name: Ashraf, Ariha
name: Fazili, Khalid Majid
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Molecular Biology
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Cancer
subject: Mental Health
subject: Computational Biology

description: IRE1α (inositol-requiring enzyme type 1) is one of the primary sensor arms of UPR signalling pathway with special ability to detect unfolded/misfolded proteins in the ER lumen. It is a bifunctional protein with kinase and endoribonuclease activity, playing a crucial role in managing ER stress. The C-terminal domain of IRE1α, facing towards the cytosol, acts as a scaffold for various effector proteins to regulate IRE1α activity. Our previous mass spectroscopic studies has revealed Metadherin (MTDH) as one of the binding partner of IRE1α. MTDH is an oncoprotein implicated in cancer metastasis and survival, affecting various cell signalling pathways to drive cancer progression. The presence of this protein in the immune complex in our IRE1α driven immunoprecipitation experiments of stressed cells was significant as the UPR is believed to facilitate cell apoptosis during prolonged stress, which is compromised in cancerous cells to allow metastasis. This prompted us to study and explore the interaction between the two proteins IRE1α and MTDH, a positive interaction pointing to a cross talk between the homeostatic and metastatic signalling pathways. Various experiments, including co-immunoprecipitation, Yeast-two Hybrid assay, and bioinformatics analyses established a positive interaction between IRE1α and MTDH supporting the argument that these proteins interact and might influence IRE1α’s role in cellular stress response.