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388 results for “MORPH”
Long-term heat demand scenarios under climate change utilising a stochastic dynamic building stock model: Morphed hourly outdoor temperatures for Jyvaskyla for 2030 and 2050
<p>******************* Please view the README.txt or README.md file for detailed documentation of data. ********************</p> <p>Title: Long-term heat demand scenarios under climate change utilising a stochastic dynamic building stock model: Morphed hourly outdoor temperatures for Jyväskylä for 2030 and 2050</p> <p>Date of release: 25/11/2020</p> <p>Identifier: 10.5281/zenodo.4275759</p> <p>Permalink: http://dx.doi.org/10.5281/zenodo.4275759</p> <p>Associated publication: Hietaharju, P.; Louis, J.-N.; Pulkkinen, J.; Ruusunen, M. Long-term heat demand scenarios under climate change utilising a stochastic dynamic building stock model, <strong><em>Under Review</em></strong>, 2020.</p> <p>Suggested citation: Please reference the associated publication above when using any datasets or materials described in the README.txt and README.md files.</p> <p><br> Contact information: Jari Pulkkinen, University of Oulu, Oulu, Finland, jari.pulkkinen@oulu.fi; Jean-Nicolas Louis, University of Oulu, Oulu, Finland, jean-nicolas.louis@oulu.fi<br> </p> <p>Dates of data: 2030, 2050</p> <p>Type of data: Outdoor Temperature</p> <p>Geographic location: Jyväskylä</p> <p>Time resolution: hourly, full year</p> <p>Format: All data is stored in .csv files</p> <p>Number of files: 1 .zip --> 50 files + README.txt + README.md</p> <p>This directory contains the following datasets: A summary of all the files has been compiled and stored in the "README.txt" and "README.md" files</p> <p> </p> <p>Notifications:</p> <p>Contains modified Copernicus Climate Change Service (C3S) information [2018] and modified Finnish Meteorological Institute [2017,2019] information from etsin.fairdata.fi and from Open data repository (https://en.ilmatieteenlaitos.fi/open-data).</p> <p><br> Contains modified Climate One Building information [2019] (reference Lawrie L.K. and Crawley D.B. 2019) and Test Reference Year 2012 (TRY2012) information from Jylhä et al. [2011] and Jylhä et al. [2015] (Energy demand for the heating and cooling of residential houses in Finland in a changing climate).</p> <p>Contains modified Ruosteenoja et al. [2016] information.</p> <p>Other data and information sources are described in README.txt, README.md, references and on the associated publication.</p>
Fig. 1 in Differences in volatile composition and sexual morphs in rambutan (Nephelium lappaceum L.) flowers and their effect in the Apis mellifera L. (Hymenoptera, Apidae) attraction
Fig. 1. Relation between compounds in rambutan hermaphrodite flowers from Herradero (Her RH) and Metapa orchard (Her RM), and male flowers (Male RH).
Tabular and image data of article "Morphing cholinesterase inhibitor amiridine into multipotent drugs for the treatment of Alzheimer's disease"
<p>The search for novel drugs to address the medical needs of Alzheimer’s disease (AD) is an ongoing process relying on the discovery of disease-modifying agents. Given the complexity of the disease, such an aim can be pursued by developing so-called multi-target directed ligands (MTDLs) that will impact the disease pathophysiology more<br>comprehensively. Herewith, we contemplated the therapeutic efficacy of an amiridine drug acting as a cholinesterase inhibitor by converting it into a novel class of novel MTDLs. Applying the linking approach, we have paired amiridine as a core building block with memantine/adamantylamine, trolox, and substituted benzothiazole moieties to generate novel MTDLs endowed with additional properties like N-methyl-D-aspartate (NMDA) receptor affinity, antioxidant capacity, and anti-amyloid properties, respectively. The top-ranked amiridine-based compound 5d was also inspected by in silico to reveal the butyrylcholinesterase binding differences with its close structural analogue 5b. Our study provides insight into the discovery of novel amiridinebased drugs by broadening their target-engaged profile from cholinesterase inhibitors towards MTDLs with potential implications in AD therapy.</p> <p><strong>Table 1. </strong>hBChE inhibitory activities of 5c-d, 7c and 7 g and reference compounds (amiridine hydrochloride and THA); their cytotoxicity profile on SH-SY5Y cell line, and predictions of BBB penetration.</p> <p>T<strong>able 2</strong>. Relative inhibitions (RIs) of 5c-d and 7 m and reference compound memantine at recombinant human GluN1/GluN2B NMDA receptor expressed in HEK293 cells.</p> <p><strong>Fig_1</strong>. Chemical structures of rivastigmine, galantamine, and tacrine as representatives of cholinesterase inhibitors. Approaches to novel drugs for AD treatment on the selected candidates are displayed.</p> <p><strong>Fig_2</strong>. Examples of previously published amiridine-based derivatives and design strategy applied in the current study below, using various pharmacophores.</p> <p><strong>Fig_3</strong>. Top scored docking pose of 5b (A) and 5d (B) highlighting the key findings responsible for compound activity/inactivity. For the sake of clarity, superimposed ligands are aligned in the Fig. C with respect to key amino acid residue W82 to demonstrate the binding difference. Compounds 5b and 5d are colored in salmon and yellow, respectively. Essential amino acid residues responsible for ligand anchoring are rendered in green. Important interactions of different origin are displayed with dashed black lines. The figure was created with The PyMOL Molecular Graphics System, v. 2.5.2.</p> <p><strong>Scheme 1</strong>. Preparation of the amiridine-based compounds 5a-d. Reagents and conditions: <strong>a)</strong> 2-chloroacetyl chloride (4 eq.), CHCl3, 90 ◦C, overnight, 8, 54%, 11, 90%, 12, 52%; <strong>b)</strong> CH3CN, K2CO3, KI, reflux, 3 h, 5a, 54%, 5b, 54%; <strong>c)</strong> amiridine (1.1 eq), CH3CN, K2CO3, KI, reflux, overnight, 5c, 48%, 5d, 41%.</p> <p><strong>Scheme 2</strong>. Preparation of intermediate 13 and final compound 6. Reagents and conditions: <strong>a)</strong> potassium phthalimide, CH3CN, reflux, 3 h, then an excess of NH2NH2⋅H2O, reflux, overnight, 57%; <strong>b)</strong> DMF, TEA, BOP, room temperature, 2 days, 86%.</p> <p><strong>Scheme 3</strong>. Preparation of amiridine-benzothiazole derivatives 7a-m. Reagents and conditions: <strong>a)</strong> for 7a: 2-chlorobenzothiazole, 110 ◦C, overnight, 32%; for 7b-m: corresponding 2-chlorobenzothiazole, DIPEA, 100 ◦C, overnight, 21–77%.</p>
Morphing libraries, QSAR models, and compounds predicted to be active on the Glucocorticoid receptor (GR)
<p>This repository contains datasets and files related to the computational drug discovery project of the chemical space exploration of the Glucocorticoid receptor. The accompanying Python code is freely available in the GitHub repository (<a title="https://github.com/Iagea/GRML_analyses" href="https://github.com/Iagea/GRML_analyses" target="_blank" rel="noreferrer noopener">https://github.com/Iagea/GRML_analyses</a>).</p> <p><strong>Morphing Libraries:</strong></p> <ul> <li><strong>GRML_library.csv:</strong> The GRML library is the collection of 999,015 virtual compounds generated by Molpher [1-2] starting from GR ligands with unique Bemis-Murcko scaffolds collected from the ChEMBL17 and IMG libraries.</li> <li><strong>RML_library.csv:</strong> The RML library is the collection of 1,346,310 virtual compounds generated by Molpher starting from compounds with unique Bemis-Murcko scaffolds randomly selected from the ZINC database.</li> </ul> <p><strong>IMG library:</strong></p> <ul> <li><strong>IMG_non_proprietary.csv</strong>: The non-proprietary IMG library subset containing 12,956 compounds and their corresponding B-scores from the primary screen.</li> </ul> <p><strong>Molpher inputs:</strong></p> <ul> <li><strong>GR_inputs.csv</strong>: The GR inputs are the ligands used to create the GRML library, 204 compounds from ChEMBL17 (95 compounds) and the non-proprietary dataset from IMG (109 compounds).</li> <li><strong>Random_inputs.csv</strong>: The random inputs are 249 random ZINC compounds used to create the Random library.</li> </ul> <p><strong>Model's training sets:</strong></p> <ul> <li><strong>Model33_training_set.csv</strong>: Random forest classification model training set, it includes 865 compounds; known GR actives and inactives from ChEMBL33 (738 compounds) and non-proprietary active ligands from the IMG library (127 compounds).</li> <li><strong>Model17_training_set.csv</strong>: Random forest classification model training set, it includes 601 compounds; known GR actives and inactives from ChEMBL17 (474 compounds) and non-proprietary active ligands from the IMG library (127 compounds).</li> <li><strong>RFR_training_set.csv</strong>: Random forest regression model training set, it includes 89 compounds; known GR actives and inactives from ChEMBL33 that fit into the GR pharmacophore with the four features we describe in our paper.</li> </ul> <p><strong>Models:</strong></p> <ul> <li><strong>Model33.pkl:</strong> Python pickle file containing the trained Random forest classification models used along with Mondrian cross-conformal prediction to classify GR actives/inactives. This model was trained with ChEMBL33 and IMG libraries.</li> <li><strong>Model17.pkl</strong>: Python pickle file containing the trained Random forest classification models used along with Mondrian cross-conformal prediction to classify GR actives/inactives. This model was trained with ChEMBL17 and IMG libraries.</li> <li><strong>RFR_models.pkl</strong><em>: </em>Python pickle file containing the 100 trained random forest regression models used to rank the proposed active morphs. These models were trained with the RFR_training_set.csv.</li> </ul> <p><strong>Active predicted morphs:</strong></p> <ul> <li><strong>all_morphs_actives</strong><em><strong>_</strong></em><strong>predicted.xlsx:</strong> An Excel spreadsheet containing two sheets. 1) All 22,524 GRML active predicted morphs. 2) All 4,341 RML active predicted morphs. The QED, NIBR Severity Score, and Molskill Score are given for each morph.</li> </ul> <p><strong>Proposed GR active ligands:</strong></p> <ul> <li><strong>designed_ligands.xlsx</strong>: An Excel spreadsheet containing two sheets. 1) All 54 designed GR ligands with their QED, NIBR severity score, MolSkill score, consensus ranking from the 100 RFR models, and the result of the manual annotation and remarks, if available. 2) The structure of the 54 ligands based on their manual annotation and presence or not in ChEMBL33 database.</li> </ul> <p>Researchers and professionals in the field of drug discovery and cheminformatics may find these resources useful for further analysis and investigations.</p> <p><strong>Bibliography</strong></p> <p>[1] Hoksza, D., Škoda, P., Voršilák, M. <em>et al.</em> Molpher: a software framework for systematic chemical space exploration. <em>J Cheminform</em> <strong>6</strong>, 7 (2014). https://doi.org/10.1186/1758-2946-6-7</p> <p>[2] <a href="https://github.com/lich-uct/molpher-lib">https://github.com/lich-uct/molpher-lib</a></p>
A masculinizing supergene underlies an exaggerated male reproductive morph in a spider
<p>In many species, individuals can develop into strikingly different morphs, which are determined by a simple Mendelian locus. How selection shapes loci that control complex p henotypic differences remains poorly understood. In the spider gibbosus, males either develop into a 'hunched'morph with conspicuous head structures or as a fast developing 'flat'morph with a female- like appearance. We show that the hunched differs from the f lat-determinin g allele by a hunch-specific genomic fragment of approximately 3 megabases. This fragment comprises dozens of genes that duplicated from genes found at different chromosomes. All functional duplicates, including doublesex- a key sexual differentiation regulatory gene, show male-specific expression, which il lustrates their combined role as a masculinizing supergene. Our findings demonstrate how extensive indel polymorphisms and duplications of regulatory genes may contribute to t he evolution of co-adapted gene clusters, sex-limi ted reproductive morphs, and the enigmatic evolution of exaggerated sexual traits in general.</p>
Data from: Evidence for morph-specific substrate choice in a green-brown polymorphic grasshopper
<p>Orthopteran insects are characterized by high variability in body coloration, in particular featuring a widespread green-brown color polymorphism. The mechanisms that contribute to the maintenance of this apparently balanced polymorphism are not yet understood. To investigate whether morph-dependent microhabitat choice might contribute to the continued coexistence of multiple morphs, we studied substrate choice in the meadow grasshopper <i>Pseudochorthippus parallelus.</i> The meadow grasshopper occurs in multiple discrete, genetically determined color morphs that range from uniform brown to uniform green. We tested whether three common morphs preferentially choose differently colored backgrounds in an experimental arena. We found that a preference for green backgrounds was most pronounced in uniform green morphs. If differential choices improve morph-specific performance in natural habitats via crypsis and/or thermoregulatory benefits, they could help to equalize fitness differences among color morphs and potentially produce frequency-dependent microhabitat competition, though difference appear too small to serve as the only explanation. We also measured the reflectance of the grasshoppers and backgrounds and used visual modelling to quantify the detectability of the different morphs to a range of potential predators. Multiple potential predators, including birds and spiders, are predicted to distinguish between morphs chromatically, while other species, possibly including grasshoppers themselves, will perceive only differences in brightness. Our study provides the first evidence that morph-specific microhabitat choice might be relevant to the maintenance of the green-brown polymorphisms in grasshoppers and shows that visual distinctness of color morphs varies between perceivers.</p>
Photographs of parasites encapsulated in Cepaea nemoralis shells (appendix to the paper "Morph-dependent effect of nematode infection on host movement in the land snail *Cepaea nemoralis* (Mollusca, Gastropoda)")
<p>A set of four photographs taken of shell fragments of Cepaea nemoralis (grove snail), taken in the course of the project leading to the manuscript titled: "Morph-dependent effect of nematode infection on host movement in the land snail *Cepaea nemoralis* (Mollusca, Gastropoda)". Each photograph shows a parasite encapsulated/trapped in the shell by the snail:</p> <p>AcaRX3_3.tif: a mite (presumably Riccardoella sp.)<br> NemaBX7_1.tif, NemaBX7_3.tif, NemaRK5_2.tif: unidentified nematodes (note in the latter image, the clearly visible brown-band on yellow background pattern of the shell).</p> <p>A scale bar (0.25 mm) is overlaid on each image</p> <p> </p>
Fig. 17. Lycosa piochardi Simon, 1876, live females demonstrating common dorsal coloration morphs. A in Lycosa Latreille, 1804 (Araneae, Lycosidae) of Israel, with a note on Geolycosa Montgomery, 1904
Fig. 17. Lycosa piochardi Simon, 1876, live females demonstrating common dorsal coloration morphs. A. Sandy morph, Midreshet Ben-Gurion. B. Dark brown morph, Mt. Gilboa. C. Light brown with dark brown median bands, Mt. Hermon. D. Light brown morph, Modi'in. Photos by I. Armiach Steinpress.
Environmental morphing enables informed dispersal of the dandelion diaspore
<p>This repository contains source data for the following preprint: </p> <p>Seale M, Zhdanov O, Soons MB, Cummins C, Kroll E, Blatt MR, Zare-Behtash H, Busse A, Mastropaolo E, Bullock JM, Viola IM, Nakayama N (2022) Environmental morphing enables informed dispersal of the dandelion diaspore, bioRxiv, https://doi.org/10.1101/542696</p> <p> </p> <p> </p>
Egg size and offspring phenotype data at early life stages in seven Arctic charr morphs
<p>Maternal effects have the potential to alter early developmental processes of offspring and contribute to adaptive diversification. Egg size is a major contributor to offspring phenotype, which can influence developmental trajectories and potential resource use. However, to what extent intraspecific variation in egg size facilitates evolution of resource polymorphism is poorly understood. We studied multiple resource morphs of Icelandic Arctic charr, ranging from an anadromous morph – with a phenotype similar to the proposed ancestral phenotype – to sympatric morphs that vary in their degree of phenotypic divergence from the ancestral anadromous morph. We characterised variation in egg size and tested whether egg size influenced offspring phenotype at early-life stages (i.e. timing of- and size at- hatching and first feeding [FF]). We predicted that egg size would differ among morphs and be less variable as morphs diverge away from the ancestral anadromous phenotype. We also predicted that egg size would correlate with offspring size and developmental timing. We found morphs had different egg size, developmental timing and size at hatching and FF. Egg size increased as phenotypic proximity to the ancestral anadromous phenotype decreased, with larger eggs generally giving rise to larger offspring, especially at FF, but egg size had no effect on developmental rate. The interaction between egg size and the environment may have a profound impact on offspring fitness, where the resulting differences in early-life history traits may act to initiate and/or maintain resource morphs diversification. </p>
FIG. 4 in First report of the sexual morph of Pseudofusicoccum adansoniae Pavlic, T.I.Burgess & M.J.Wingf. on Para rubber
FIG. 4. — Pseudofusicoccum ardesiacum Pavlic, T.I.Burgess & M.J.Wingf. (MFLU 19-0235): A, B, habit on host substrate; C, section through the conidiomata; D, peridium; E-G, conidiophore and conidiogenous cells; H-O, conidia (mounted in double-distilled water); P, conidia with mucilaginous sheath (arrows) (stained in Indian ink); Q, germinated spores; R, S, upper and reverse view of the culture after ten days. Scale bars: A, 500 µm; B, 200 µm; C, 100 µm; D, 20 µm; E-Q, 10 µm.
FIG. 2 in First report of the sexual morph of Pseudofusicoccum adansoniae Pavlic, T.I.Burgess & M.J.Wingf. on Para rubber
FIG. 2. — Pseudofusicoccum adansoniae Pavlic, T.I.Burgess & M.J.Wingf. (MFLU 19-0246): A, B, habit on host substrate; C, section through the conidiomata; D, peridium; E, F, conidiophore and conidiogenous cells; G, conidia (mounted in double-distilled water); H-J, conidia with mucilaginous sheath (arrows) (stained in Indian ink); K, germinated spores; L, M, upper and reverse view of the culture after ten days. Scale bars: A-C, 200 µm; D, 20 µm; E-K, 10 µm.
FIG. 3 in First report of the sexual morph of Pseudofusicoccum adansoniae Pavlic, T.I.Burgess & M.J.Wingf. on Para rubber
FIG. 3. — Pseudofusicoccum adansoniae Pavlic, T.I.Burgess & M.J.Wingf. (MFLU 19-0239): A, habit of ascoma in bark; B, transverse sections through ascomata; C, D, section through the ascoma; E, peridium; F, pseudoparaphyses; G, H, asci; I, ascospores (mounted in double-distilled water); J, K, upper and reverse view of the culture after ten days; L-O, ascospores with mucilaginous sheath (arrows) (stained in Indian ink); P, germinated spores. Scale bars: A, B, 500 µm; C, 200 µm; D, 50 µm; E-H, 30 µm; I, L-P, 10 µm.
The unpatterned orange morph of Philippine Boiga cynodon photographed in 2016 in the University of the Philipines at Los Baños Quezon Land Grant Forest Reserve, Municipality of Siniloan, Quezon Province, southeastern Luzon Island, Photo: Rafe M. Brown. in Synopsis of the Snakes of the Philippines A Synthesis of Data from Biodiversity Repositories, Field Studies, and the Literature
The unpatterned orange morph of Philippine Boiga cynodon photographed in 2016 in the University of the Philipines at Los Baños Quezon Land Grant Forest Reserve, Municipality of Siniloan, Quezon Province, southeastern Luzon Island, Photo: Rafe M. Brown.
Fig. 5 in First Record of Lachnus chosoni (Hemiptera: Aphididae: Lachninae) in the Republic of Korea with Description of Sexual Morphs
Fig. 5. Male of Lachnus chosoni characters: (a) antenna; (b) small, rounded, protuberant secondary rhinaria on ANT III; (c) secondary rhinaria on ANT IV; (d) ANT V with primary rhinarium (arrow) and secondary rhinaria; (e) ultimate rostral segments; (f) hind tibiae chaetotaxy; (g) genitalia-bp-basal part of phallus, p-parameres, c-cauda.
Fig. 4 in First Record of Lachnus chosoni (Hemiptera: Aphididae: Lachninae) in the Republic of Korea with Description of Sexual Morphs
Fig. 4. Oviparous females of Lachnus chosoni characters: (a) hind tibiae with different length of inner (longer) and outer (shorter) setae and pseudosensoria area (arrows); (b) poorly visible, low mesosternal processes (arrows); (c) different types of pseudosensoria on hind tibiae-single, rounded (arrow), 8-shaped (dotted arrow) and double, oval (arrowhead); (d) egg capsules inside the abdomen; (e) genital plate with a median suture; (f) egg.
Fig. 2 in First Record of Lachnus chosoni (Hemiptera: Aphididae: Lachninae) in the Republic of Korea with Description of Sexual Morphs
Fig. 2. Representatives of Lachnus chosoni in life: (a) spring colony of apterous viviparous females and nymphs feeding on scars of a branch, (b) apterous viviparous females on leaves, (c) freshly moulted male with uniformly light brown legs, (d) autumnal colony of oviparous females and males visited by ants, (e) oviparous female and male in copula (in the bottom left corner magnification of the male genitalia and female perianal area), (f) oviparous females with freshly laid eggs.
Fig. 3 in First Record of Lachnus chosoni (Hemiptera: Aphididae: Lachninae) in the Republic of Korea with Description of Sexual Morphs
Fig. 3. Sexual morphs of Lachnus chosoni in mounted specimens: (a) oviparous female, (b) apterous male.
Fig. 1 in First Record of Lachnus chosoni (Hemiptera: Aphididae: Lachninae) in the Republic of Korea with Description of Sexual Morphs
Fig. 1. Known distribution of Lachnus chosoni in the Korean Peninsula: the type locality in North Korea (red circle), first records in South Korea (violet rhombus).
Fig. 2 in Effects of temperature on survival, development, and reproduction of Aphis glycines (Hemiptera: Aphididae) autumnal morphs
Fig. 2. Age-specific fecundity (fx) of Aphis glycines gynoparae and oviparae on overwintering host, Rhamnus davurica at 13, 18, 23, and 28 °C.
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