cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.25487390
title: New <i>N</i>-(1,3,4-thiadiazole-2-yl)acetamide derivatives as human carbonic anhydrase I and II and acetylcholinesterase inhibitors

description: Various carbonic anhydrase (CA) enzyme isoforms are known today. In addition to the use of CA inhibitors as diuretics, antiepileptics and antiglaucoma agents, the inhibition of other specific isoforms of CA was reported to have clinical benefits in cancers. In this study, two groups of 1,3,4-thiadiazole derivatives were designed and synthesized to act as human CA I and II (<i>h</i>CA I and <i>h</i>CA II) inhibitors. The activities of these compounds were tested <i>in vitro</i> and evaluated <i>in silico</i> studies. The activity of the synthesized compounds was also tested against acetylcholinesterase (AChE) to evaluate the relation of the newly designed structures to the activity against AChE. The synthesized compounds were analyzed by <sup>1</sup>H NMR,<sup>13</sup>C NMR and high-resolution mass spectroscopy (HRMS). The results displayed a better activity of all the synthesized compounds against <i>h</i>CA I than that of the commonly used standard drug, Acetazolamide (AAZ). The compounds also showed better activity against <i>h</i>CA II, except for compounds <b>5b</b> and <b>6b</b>. Only compounds <b>6a</b> and <b>6c</b> showed superior activity against AChE compared to the standard agent, tacrine (THA). <i>In silico</i> studies, including absorption, distribution, metabolism and excretion (ADME) and drug-likeness evaluation, molecular docking, molecular dynamic simulations (MDSs) and density functional theory (DFT) calculations, were compatible with the <i>in vitro</i> results and presented details regarding the structure–activity relationship.
DOI: 10.6084/m9.figshare.25487390.v1
title: New <i>N</i>-(1,3,4-thiadiazole-2-yl)acetamide derivatives as human carbonic anhydrase I and II and acetylcholinesterase inhibitors

description: Various carbonic anhydrase (CA) enzyme isoforms are known today. In addition to the use of CA inhibitors as diuretics, antiepileptics and antiglaucoma agents, the inhibition of other specific isoforms of CA was reported to have clinical benefits in cancers. In this study, two groups of 1,3,4-thiadiazole derivatives were designed and synthesized to act as human CA I and II (<i>h</i>CA I and <i>h</i>CA II) inhibitors. The activities of these compounds were tested <i>in vitro</i> and evaluated <i>in silico</i> studies. The activity of the synthesized compounds was also tested against acetylcholinesterase (AChE) to evaluate the relation of the newly designed structures to the activity against AChE. The synthesized compounds were analyzed by <sup>1</sup>H NMR,<sup>13</sup>C NMR and high-resolution mass spectroscopy (HRMS). The results displayed a better activity of all the synthesized compounds against <i>h</i>CA I than that of the commonly used standard drug, Acetazolamide (AAZ). The compounds also showed better activity against <i>h</i>CA II, except for compounds <b>5b</b> and <b>6b</b>. Only compounds <b>6a</b> and <b>6c</b> showed superior activity against AChE compared to the standard agent, tacrine (THA). <i>In silico</i> studies, including absorption, distribution, metabolism and excretion (ADME) and drug-likeness evaluation, molecular docking, molecular dynamic simulations (MDSs) and density functional theory (DFT) calculations, were compatible with the <i>in vitro</i> results and presented details regarding the structure–activity relationship.
DOI: 10.3535/060-plt-way
title: Cucullia gnaphalii (Hübner, 1813)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/pjh-vse-qq4
title: Agonopterix ocellana Fabricius, 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/fg2-m03-7ra
title: Autographa Hübner, 1821

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/pj7-6ff-qsz
title: Scoparia cembrella Linnaeus, 1761

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.6084/m9.figshare.27990421
title: Unraveling the potential of Epicatechin gallate from crataegus oxyacantha in targeting aberrant cardiac Ca2+ signalling proteins: an in-depth <i>in-silico</i> investigation for heart failure therapy

description: The cardiovascular sarcoplasmic reticulum (SR) calcium (Ca2+) ATPase is an imperative determinant of cardiac functionality. In addition, anomalies in Ca2+ handling protein and atypical energy metabolism are inherent in heart failure (HF). Moreover, Ca2+ overload in SR leads to mitochondrial matrix Ca2+ overload, which can trigger the generation of Reactive Oxygen Species (ROS), culminating in the triggering of the Permeability Transition Pore (PTP) and Cytochrome C release, resulting in apoptosis that leads to arrhythmias and numerous disorders. Although proteins involved in the molecular mechanism of Ca2+ dysfunction regarding mitochondrial dysfunction remains elusive, this study aims to assess the major Ca2+ handling proteins which may be involved in the Ca2+ malfunction that causes mitochondrial dysfunction and predicting the most effective drug by targeting the analyzed Ca2+ handling proteins through various <i>insilico</i> analyses. Thirteen proteins absorbed from interaction analysis were docked with four optimal phytochemicals from <i>Crataegus oxyacantha</i> (COC). Furthermore, The ADME profile of tyramine, vitexin, Epicatechin, and Epicatechin gallate was acclimated to evaluate potential drugability utilizing QikProp. So, molecular docking evaluations were performed using Glide (Maestro), autodock, and vina. Based on the results of 156 dockings by Maestro, auto-dock, and auto-dock vina, PKAC-a with Epicatechin gallate exhibits good interaction. Therefore, a 2000 ns molecular dynamics (MD) simulation was utilized to assess the feasible phytochemical Epicatechin gallate - PKAC-a complex binding stability utilizing Desmond and this study confirmed that Epicatechin gallate from COC has high possibilities to inhibit the aberrant cardiac Ca2+ signaling proteins due to its conformational rigidity.
DOI: 10.6084/m9.figshare.27990421.v1
title: Unraveling the potential of Epicatechin gallate from crataegus oxyacantha in targeting aberrant cardiac Ca2+ signalling proteins: an in-depth <i>in-silico</i> investigation for heart failure therapy

description: The cardiovascular sarcoplasmic reticulum (SR) calcium (Ca2+) ATPase is an imperative determinant of cardiac functionality. In addition, anomalies in Ca2+ handling protein and atypical energy metabolism are inherent in heart failure (HF). Moreover, Ca2+ overload in SR leads to mitochondrial matrix Ca2+ overload, which can trigger the generation of Reactive Oxygen Species (ROS), culminating in the triggering of the Permeability Transition Pore (PTP) and Cytochrome C release, resulting in apoptosis that leads to arrhythmias and numerous disorders. Although proteins involved in the molecular mechanism of Ca2+ dysfunction regarding mitochondrial dysfunction remains elusive, this study aims to assess the major Ca2+ handling proteins which may be involved in the Ca2+ malfunction that causes mitochondrial dysfunction and predicting the most effective drug by targeting the analyzed Ca2+ handling proteins through various <i>insilico</i> analyses. Thirteen proteins absorbed from interaction analysis were docked with four optimal phytochemicals from <i>Crataegus oxyacantha</i> (COC). Furthermore, The ADME profile of tyramine, vitexin, Epicatechin, and Epicatechin gallate was acclimated to evaluate potential drugability utilizing QikProp. So, molecular docking evaluations were performed using Glide (Maestro), autodock, and vina. Based on the results of 156 dockings by Maestro, auto-dock, and auto-dock vina, PKAC-a with Epicatechin gallate exhibits good interaction. Therefore, a 2000 ns molecular dynamics (MD) simulation was utilized to assess the feasible phytochemical Epicatechin gallate - PKAC-a complex binding stability utilizing Desmond and this study confirmed that Epicatechin gallate from COC has high possibilities to inhibit the aberrant cardiac Ca2+ signaling proteins due to its conformational rigidity.
DOI: 10.3535/rqe-hvj-sax
title: Oligia Hübner, 1821

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/swf-7mv-2ys
title: Oligia Hübner, 1821

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/25d-e48-e38
title: Conistra (Conistra) vaccinii (Linnaeus, 1761)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/js7-eqa-n9l
title: Indalia pygmaeola (Doubleday, 1847)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.6084/m9.figshare.25415741
title: Mechanistic insights into interactions between ionizable lipid nanodroplets and biomembranes

description: Delivery of RNA into cells using lipid nanoparticles (LNPs) has been a significant breakthrough in RNA-based medicine, with clinical applicability expanded through the use of ionizable lipids (ILs). These unique lipids can alter their charge state in response to pH changes, which is crucial for pH-triggered endosomal escape and effective lipid-mediated RNA delivery. In this study, we conducted a comprehensive set of molecular dynamics (MD) simulations to investigate interactions between IL-containing lipid nanodroplets (LNDs) and cell membrane models. Using an atomistic resolution model, we investigated the merging process of LNDs with cell membrane models under neutral conditions relevant to an intercellular environment and acidic pH conditions found in late endosomes. Our observations revealed that at neutral pH, LNDs merged with lipid membranes while preserving the bilayer structure. Under acidic conditions, the LNDs remained attached to the bilayer without fusing into the membranes. Importantly, the presence of ILs did not disrupt the original biomembrane structure during the simulation period. The MD simulations provided valuable atomistic insights into the mechanism of interaction between IL-containing nanodroplets and biomembranes, which could aid the rational design of ILs to develop more efficient LNPs for RNA therapies.
DOI: 10.6084/m9.figshare.25415741.v1
title: Mechanistic insights into interactions between ionizable lipid nanodroplets and biomembranes

description: Delivery of RNA into cells using lipid nanoparticles (LNPs) has been a significant breakthrough in RNA-based medicine, with clinical applicability expanded through the use of ionizable lipids (ILs). These unique lipids can alter their charge state in response to pH changes, which is crucial for pH-triggered endosomal escape and effective lipid-mediated RNA delivery. In this study, we conducted a comprehensive set of molecular dynamics (MD) simulations to investigate interactions between IL-containing lipid nanodroplets (LNDs) and cell membrane models. Using an atomistic resolution model, we investigated the merging process of LNDs with cell membrane models under neutral conditions relevant to an intercellular environment and acidic pH conditions found in late endosomes. Our observations revealed that at neutral pH, LNDs merged with lipid membranes while preserving the bilayer structure. Under acidic conditions, the LNDs remained attached to the bilayer without fusing into the membranes. Importantly, the presence of ILs did not disrupt the original biomembrane structure during the simulation period. The MD simulations provided valuable atomistic insights into the mechanism of interaction between IL-containing nanodroplets and biomembranes, which could aid the rational design of ILs to develop more efficient LNPs for RNA therapies.
DOI: 10.15468/dl.zpxn3a
title: Occurrence Download

description: A dataset containing 1032538 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pinus sylvestris"
 ]
}

 The dataset includes 1032538 records from 2314 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0028637-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fnuvw7
title: Occurrence Download

description: A dataset containing 1680 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON ((-82.4585936000000004 27.9533982999999999, -82.4585936000000004 27.9601176500000008, -82.4585936000000004 27.9705699599999988, -82.4585936000000004 27.9761694200000015, -82.4585936000000004 27.9821421699999995, -82.4585936000000004 27.9907280000000007, -82.4489156000000065 27.9907280000000007, -82.4388665200000048 27.9907280000000007, -82.4336558800000034 27.9907280000000007, -82.4269565000000028 27.9907280000000007, -82.4202571099999943 27.9907280000000007, -82.4139287999999937 27.9907280000000007, -82.4139287999999937 27.9858751400000010, -82.4139287999999937 27.9750495299999997, -82.4139287999999937 27.9672102900000006, -82.4139287999999937 27.9612375399999991, -82.4139287999999937 27.9533982999999999, -82.4191405400000008 27.9533982999999999, -82.4258399299999951 27.9533982999999999, -82.4310505699999965 27.9533982999999999, -82.4384943299999975 27.9533982999999999, -82.4440771499999983 27.9533982999999999, -82.4515209199999930 27.9533982999999999, -82.4585936000000004 27.9533982999999999))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1932",
 "BasisOfRecord is one of (Human Observation, Living Specimen, Observation, Specimen, Machine Observation)"
 ]
}

 The dataset includes 1680 records from 35 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0093531-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-27977
title: Correspondence book No. 1 of Pentecostal Missionary Union [PMU], 1914-1920

description: [description english/roman)] Pentecostal Missionary Union [PMU] Correspondence book No. 2 including 61 pages of subject index; 2011 pages of PMU outgoing correspondence;
DOI: 10.15468/dl.e3tvwe
title: Occurrence Download

description: A dataset containing 104 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Viola reichenbachiana Jord."
 ]
}

 The dataset includes 104 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0404062-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zf8df6
title: Occurrence Download

description: A dataset containing 702294 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "Country is one of (United States of America, Mexico, Canada)",
 "Year is greater than 1978",
 "Year is less than 2014",
 "HasGeospatialIssue is false",
 "TaxonKey is Aix sponsa (Linnaeus, 1758)"
 ]
}

 The dataset includes 702294 records from 64 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0086779-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-27925
title: Correspondence book No. 1 of Pentecostal Missionary Union [PMU], 1914-1920

description: [description english/roman)] Pentecostal Missionary Union [PMU] Correspondence book No. 2 including 61 pages of subject index; 2011 pages of PMU outgoing correspondence;
DOI: 10.15468/dl.ab8qy7
title: Occurrence Download

description: A dataset containing 877 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Hydriomena renunciata Walker, 1862",
 {
 "or" : [
 "Country is United States of America",
 "Country is Canada",
 "Continent is North America"
 ]
 }
 ]
}

 The dataset includes 877 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0128225-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-27770
title: Correspondence book No. 1 of Pentecostal Missionary Union [PMU], 1914-1920

description: [description english/roman)] Pentecostal Missionary Union [PMU] Correspondence book No. 2 including 61 pages of subject index; 2011 pages of PMU outgoing correspondence;
DOI: 10.15468/dl.c3xrfz
title: Occurrence Download

description: A dataset containing 53 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Baskervilla colombiana Garay"
 ]
}

 The dataset includes 53 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0086874-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gtjfay
title: Occurrence Download

description: A dataset containing 186 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Nepytia semiclusaria (Walker, 1862)",
 {
 "or" : [
 "Country is United States of America",
 "Country is Canada",
 "Continent is North America"
 ]
 }
 ]
}

 The dataset includes 186 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0128269-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.u2p6z5
title: Occurrence Download

description: A dataset containing 516094 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Gavia arctica (Linnaeus, 1758)"
 ]
}

 The dataset includes 516094 records from 369 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0430771-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-27732
title: Correspondence book No. 1 of Pentecostal Missionary Union [PMU], 1914-1920

description: [description english/roman)] Pentecostal Missionary Union [PMU] Correspondence book No. 2 including 61 pages of subject index; 2011 pages of PMU outgoing correspondence;
DOI: 10.15468/dl.xbwvmg
title: Occurrence Download

description: A dataset containing 11978939 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Colombia",
 "Year 2018-2023"
 ]
}

 The dataset includes 11978939 records from 1241 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0086783-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7bgg4f
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is Colombia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Leopardus wiedii (Schinz, 1821)"
 ]
}

 The dataset includes 10 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067854-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ncrh58
title: Occurrence Download

description: A dataset containing 5994 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((115.7676 -9.21864,119.34458 -9.21864,119.34458 -7.95128,115.7676 -7.95128,115.7676 -9.21864))",
 "HasGeospatialIssue is false",
 "TaxonKey is Aves"
 ]
}

 The dataset includes 5994 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0100808-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nb2vvf
title: Occurrence Download

description: A dataset containing 78 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Drynaria descensa Copel."
 ]
}

 The dataset includes 78 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032869-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.borr6o
title: Occurrence Download

description: A dataset containing 11252 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "Year 1950-2018",
 "TaxonKey is Auriparus flaviceps (Sundevall, 1850)"
 ]
}

 The dataset includes 11252 records from 50 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009022-180412121330197/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.484p46
title: Occurrence Download

description: A dataset containing 494 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Tetracampidae"
 ]
}

 The dataset includes 494 records from 30 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0118452-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ypyc5e
title: Occurrence Download

description: A dataset containing 3129 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Accipiter chilensis Philippi & Landbeck, 1864"
 ]
}

 The dataset includes 3129 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032867-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yb8bhu
title: Occurrence Download

description: A dataset containing 223984 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Vicia hirsuta (L.) Gray"
 ]
}

 The dataset includes 223984 records from 2470 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0131716-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.u9urna
title: Occurrence Download

description: A dataset containing 157269 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Halophila ovalis (R.Br.) Hook.f."
 ]
}

 The dataset includes 157269 records from 139 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018492-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kegadt
title: Occurrence Download

description: A dataset containing 10179 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Hedgehog Hibernation Survey records"
 ]
}

 The dataset includes 10179 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019919-180131172636756/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.