cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.3535/avf-pd4-pcj
title: †Oepikina Salmon, 1942

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/f70-jey-7cp
title: Bivalvia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/n4m-6bd-pfm
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/85l-ekg-4cs
title: Bryozoa

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/s2q-xve-yw0
title: Bryozoa

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/z8n-pv5-tk5
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/1gv-2s9-c7x
title: †Dalmanella Hall & Clarke, 1892

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/k8r-mn0-fv2
title: Gastropoda Cuvier, 1795

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/rl4-jt1-8xf
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/zd7-nsr-s4t
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/092-3zd-lyh
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/m5r-h8w-5xc
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/774-yyk-wa9
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/dhn-2r6-1ke
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.6084/m9.figshare.28444609
title: <i>In vitro</i>, <i>ex vivo</i>, and <i>in vivo</i> studies of celecoxib topical platforms for antimicrobial activity and wound healing: a comparative assessment

description: Celecoxib (CXB), with its anti-inflammatory and recently discovered antibacterial activity, especially against sensitive and methicillin-resistant <i>Staphylococcus aureus (MRSA),</i> could be promising in treating local pain, superficial skin infections, wounds and infected wounds. The study aims to develop and compare commercially scalable topical formulations of CXB to explore their antimicrobial and wound-healing potential. Carbopol gel, o/w cream, polyethylene glycol (PEG) ointment, and paraffin ointment were selected as the vehicles for the preparation of 3% CXB topical formulations. Appearance, pH, viscosity, spreadability, drug content, stability, <i>in vitro</i> release and permeation, and skin retention studies were performed. Further, antimicrobial assay, <i>in vivo</i> wound-healing and histopathology studies were carried out for each formulation. The formulations had an acceptable appearance, viscosity, spreadability, and drug content. The drug release at 6h was the highest from gel (2428.8ug/cm<sup>2</sup>), followed by PEG ointment (2230.1ug/cm<sup>2</sup>), cream (1897.8ug/cm<sup>2</sup>), and lastly, the paraffin ointment (1217.2ug/cm<sup>2</sup>). PEG ointment and gel showed the highest skin permeation, whereas cream and gel were better able to retain the drug in the skin. All the formulations exhibited appreciable zones of inhibition against sensitive and the resistant strains of <i>Staphylococcus aureus</i>. PEG ointment exerted a significantly greater (<i>p</i> &lt; 0.001) wound-healing effect. Accelerated stability studies confirmed good physicochemical stability of the formulations. PEG ointment, with its optimal drug release profile, skin permeation ability, and greater wound-healing action, can be considered as a promising topical delivery vehicle for CXB. CXB’s antimicrobial potential could further aid in the prevention as well as treatment of wound infection.
DOI: 10.6084/m9.figshare.28444609.v2
title: <i>In vitro</i>, <i>ex vivo</i>, and <i>in vivo</i> studies of celecoxib topical platforms for antimicrobial activity and wound healing: a comparative assessment

description: Celecoxib (CXB), with its anti-inflammatory and recently discovered antibacterial activity, especially against sensitive and methicillin-resistant <i>Staphylococcus aureus (MRSA),</i> could be promising in treating local pain, superficial skin infections, wounds and infected wounds. The study aims to develop and compare commercially scalable topical formulations of CXB to explore their antimicrobial and wound-healing potential. Carbopol gel, o/w cream, polyethylene glycol (PEG) ointment, and paraffin ointment were selected as the vehicles for the preparation of 3% CXB topical formulations. Appearance, pH, viscosity, spreadability, drug content, stability, <i>in vitro</i> release and permeation, and skin retention studies were performed. Further, antimicrobial assay, <i>in vivo</i> wound-healing and histopathology studies were carried out for each formulation. The formulations had an acceptable appearance, viscosity, spreadability, and drug content. The drug release at 6h was the highest from gel (2428.8ug/cm<sup>2</sup>), followed by PEG ointment (2230.1ug/cm<sup>2</sup>), cream (1897.8ug/cm<sup>2</sup>), and lastly, the paraffin ointment (1217.2ug/cm<sup>2</sup>). PEG ointment and gel showed the highest skin permeation, whereas cream and gel were better able to retain the drug in the skin. All the formulations exhibited appreciable zones of inhibition against sensitive and the resistant strains of <i>Staphylococcus aureus</i>. PEG ointment exerted a significantly greater (<i>p</i> &lt; 0.001) wound-healing effect. Accelerated stability studies confirmed good physicochemical stability of the formulations. PEG ointment, with its optimal drug release profile, skin permeation ability, and greater wound-healing action, can be considered as a promising topical delivery vehicle for CXB. CXB’s antimicrobial potential could further aid in the prevention as well as treatment of wound infection.
DOI: 10.3535/60b-aje-khk
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/l44-gah-q69
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.6084/m9.figshare.28444609.v1
title: <i>In</i> vitro, <i>ex vivo</i>, and <i>in vivo</i> studies of celecoxib topical platforms for antimicrobial activity and wound healing: a comparative assessment

description: Celecoxib (CXB), with its anti-inflammatory and recently discovered antibacterial activity, especially against sensitive and methicillin-resistant <i>Staphylococcus aureus (MRSA),</i> could be promising in treating local pain, superficial skin infections, wounds and infected wounds. The study aims to develop and compare commercially scalable topical formulations of CXB to explore their antimicrobial and wound-healing potential. Carbopol gel, o/w cream, polyethylene glycol (PEG) ointment, and paraffin ointment were selected as the vehicles for the preparation of 3% CXB topical formulations. Appearance, pH, viscosity, spreadability, drug content, stability, <i>in vitro</i> release and permeation, and skin retention studies were performed. Further, antimicrobial assay, <i>in vivo</i> wound-healing and histopathology studies were carried out for each formulation. The formulations had an acceptable appearance, viscosity, spreadability, and drug content. The drug release at 6h was the highest from gel (2428.8ug/cm<sup>2</sup>), followed by PEG ointment (2230.1ug/cm<sup>2</sup>), cream (1897.8ug/cm<sup>2</sup>), and lastly, the paraffin ointment (1217.2ug/cm<sup>2</sup>). PEG ointment and gel showed the highest skin permeation, whereas cream and gel were better able to retain the drug in the skin. All the formulations exhibited appreciable zones of inhibition against sensitive and the resistant strains of <i>Staphylococcus aureus</i>. PEG ointment exerted a significantly greater (p &lt; 0.001) wound-healing effect. Accelerated stability studies confirmed good physicochemical stability of the formulations. PEG ointment, with its optimal drug release profile, skin permeation ability, and greater wound-healing action, can be considered as a promising topical delivery vehicle for CXB. CXB’s antimicrobial potential could further aid in the prevention as well as treatment of wound infection.
DOI: 10.3535/3gt-pay-wt3
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/x15-sx2-vgd
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.6084/m9.figshare.25690489
title: Machine learning unveils the complex nonlinearity of concrete materials’ uniaxial compressive strength

description: Uniaxial compressive strength (CS), a mechanical property that depends on the type of fine and coarse aggregates, the water-cement (w/c) ratio, age, the volume of admixtures, etc., is difficult to estimate for concrete materials. Hence, an investigation on the application of machine learning (ML) techniques to predict the UCS of concrete precisely and affordably is described here. Different machine learning algorithms, including ensemble models like Classification and regression trees (CART), XGBoost (XGB), Bagging (Bagg), AdaBoost (AdaBo) and Random Forest Regression (RF), and non-ensemble models like Ridge regression (RR), Partial least square (PLS), K-Nearest Neighbors algorithm (KNN) were used. A total of 1206 experimental results datasets were collected. The key input parameters for the soft computing method, which produces the CS of concrete as the output, are composed of nine different elements. The quantity of cement, fine and coarse aggregate, amount of water, plasticizer, slump, and days of curing are some of the major input components. By comparing the ML-derived results with the experimental findings using various performance indices, the study demonstrates that the XGBoost model effectively approximates the CS of concrete materials with reliability and robustness. Furthermore, the research includes sensitivity analysis based on the developed optimal XGBoost model, revealing the influence of different concrete mix parameters on CS and highlighting the strongly nonlinear nature of concrete materials.
DOI: 10.6084/m9.figshare.25690489.v1
title: Machine learning unveils the complex nonlinearity of concrete materials’ uniaxial compressive strength

description: Uniaxial compressive strength (CS), a mechanical property that depends on the type of fine and coarse aggregates, the water-cement (w/c) ratio, age, the volume of admixtures, etc., is difficult to estimate for concrete materials. Hence, an investigation on the application of machine learning (ML) techniques to predict the UCS of concrete precisely and affordably is described here. Different machine learning algorithms, including ensemble models like Classification and regression trees (CART), XGBoost (XGB), Bagging (Bagg), AdaBoost (AdaBo) and Random Forest Regression (RF), and non-ensemble models like Ridge regression (RR), Partial least square (PLS), K-Nearest Neighbors algorithm (KNN) were used. A total of 1206 experimental results datasets were collected. The key input parameters for the soft computing method, which produces the CS of concrete as the output, are composed of nine different elements. The quantity of cement, fine and coarse aggregate, amount of water, plasticizer, slump, and days of curing are some of the major input components. By comparing the ML-derived results with the experimental findings using various performance indices, the study demonstrates that the XGBoost model effectively approximates the CS of concrete materials with reliability and robustness. Furthermore, the research includes sensitivity analysis based on the developed optimal XGBoost model, revealing the influence of different concrete mix parameters on CS and highlighting the strongly nonlinear nature of concrete materials.
DOI: 10.3535/5v9-2gs-07n
title: †Orthoceras Bruguière, 1789

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/r7x-41k-83r
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/eec-nbf-8ez
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/m02-69h-dj6
title: †Sowerbyella Jones, 1928

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/aa1-0jx-x6g
title: †Sowerbyella Jones, 1928

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/wr9-x0q-w4b
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/sjn-r4b-mat
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/7be-019-pt4
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/z5d-pws-3d5
title: Cephalopoda Cuvier, 1795

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.6084/m9.figshare.28287752
title: One new Co-MOF with F sites in the pores for selective C<sub>2</sub>H<sub>2</sub> adsorption over CO<sub>2</sub> and CH<sub>4</sub>

description: Acetylene (C<sub>2</sub>H<sub>2</sub>) is a commonly utilized raw material in chemical industry, and the separation of C<sub>2</sub>H<sub>2</sub> is of great significance. Metal-organic frameworks (MOFs) have garnered extensive attention in the field of gas adsorption and separation. Herein, we fabricated one new Co-MOF, {[Co<sub>4</sub>(F-PyIP)<sub>4</sub>(DMF)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>]·2DMF}<sub>n</sub> (<b>1</b>), through using a F-functionalized ligand 2-fluorine-5-(4-pyridyl)isophthalic acid (H<sub>2</sub>F-PyIP). The MOF forms a 3,6-connected three-dimensional anatase topological framework and contains the square channels, in which the F functional groups enhance the adsorption for C<sub>2</sub>H<sub>2</sub> over CH<sub>4</sub> and CO<sub>2</sub>, leading to higher isosteric heat of adsorption for C<sub>2</sub>H<sub>2</sub> than CO<sub>2</sub> and CH<sub>4</sub> as well as significant adsorption selectivity for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> (2.1) and C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> (15.2) binary mixed gases at 298 K under 100 kPa. One novel Co-MOF material featuring F sites in the pores was synthesized through using the F-functionalized organic ligand. The presence of the F functional groups enables the MOF to exhibit significant adsorption selectivity towards C<sub>2</sub>H<sub>2</sub>-CO<sub>2</sub> and C<sub>2</sub>H<sub>2</sub>-CH<sub>4</sub> binary mixtures.
DOI: 10.6084/m9.figshare.28287752.v1
title: One new Co-MOF with F sites in the pores for selective C<sub>2</sub>H<sub>2</sub> adsorption over CO<sub>2</sub> and CH<sub>4</sub>

description: Acetylene (C<sub>2</sub>H<sub>2</sub>) is a commonly utilized raw material in chemical industry, and the separation of C<sub>2</sub>H<sub>2</sub> is of great significance. Metal-organic frameworks (MOFs) have garnered extensive attention in the field of gas adsorption and separation. Herein, we fabricated one new Co-MOF, {[Co<sub>4</sub>(F-PyIP)<sub>4</sub>(DMF)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>]·2DMF}<sub>n</sub> (<b>1</b>), through using a F-functionalized ligand 2-fluorine-5-(4-pyridyl)isophthalic acid (H<sub>2</sub>F-PyIP). The MOF forms a 3,6-connected three-dimensional anatase topological framework and contains the square channels, in which the F functional groups enhance the adsorption for C<sub>2</sub>H<sub>2</sub> over CH<sub>4</sub> and CO<sub>2</sub>, leading to higher isosteric heat of adsorption for C<sub>2</sub>H<sub>2</sub> than CO<sub>2</sub> and CH<sub>4</sub> as well as significant adsorption selectivity for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> (2.1) and C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> (15.2) binary mixed gases at 298 K under 100 kPa. One novel Co-MOF material featuring F sites in the pores was synthesized through using the F-functionalized organic ligand. The presence of the F functional groups enables the MOF to exhibit significant adsorption selectivity towards C<sub>2</sub>H<sub>2</sub>-CO<sub>2</sub> and C<sub>2</sub>H<sub>2</sub>-CH<sub>4</sub> binary mixtures.
DOI: 10.6084/m9.figshare.28418409
title: A kinetic and mechanistic study of heterodinuclear Ru(II)–Pt(II) complexes of flexible polyethyleneglycol ether linkers

description: Four heterometallic Ru(II)-Pt(II) complexes linked by polyethyleneglycol ether units viz; [(tpy)Ru(tpy)-O(CH<sub>2</sub>CH<sub>2</sub>O)n-(tpy)PtCl] (where tpy = 2,2′:6′,2″-terpyridine and <i>n</i> = 1 (RuPtdteg), 2 (RuPtdtdeg), 3 (RuPtdtteg) and 4 (RuPtdttteg)) were synthesized and characterised using <sup>1</sup>H and <sup>195</sup>Pt NMR spectroscopy, mass spectrometry and elemental analysis. The ligand substitution kinetics of the complexes with thiourea (TU), 1,3-dimethyl-2-thiourea (DMTU), 1,1,3,3-tetramethyl-2-thiourea (TMTU) and iodide (I<sup>-</sup>) were investigated under pseudo first-order conditions as a function of concentration and temperature using conventional Stopped-Flow techniques. The observed pseudo first-order rate constants followed the simple associative rate law <i>k</i><sub>obs</sub> = <i>k</i><sub>1</sub>[Nu]. Density Functional Theory (DFT) calculations demonstrate that the rate of substitution reactions of the heterometallic complexes is dependent on the geometry of the complexes more than it is on the electronic effects. An increase in the length of the polyethyleneglycol ether linker increases the entrapment effect of the nucleophiles due to the V-shape geometry of the complexes which in turn decreases the steric influence by the Ru(tpy)<sub>2</sub> moiety at the reactive Pt(II) metal centre and thus, the reactivity. The reactivity of the nucleophiles is sterically and electronically controlled. The activation parameters obtained support an associative mode of mechanism.
DOI: 10.6084/m9.figshare.28418409.v1
title: A kinetic and mechanistic study of heterodinuclear Ru(II)–Pt(II) complexes of flexible polyethyleneglycol ether linkers

description: Four heterometallic Ru(II)-Pt(II) complexes linked by polyethyleneglycol ether units viz; [(tpy)Ru(tpy)-O(CH<sub>2</sub>CH<sub>2</sub>O)n-(tpy)PtCl] (where tpy = 2,2′:6′,2″-terpyridine and <i>n</i> = 1 (RuPtdteg), 2 (RuPtdtdeg), 3 (RuPtdtteg) and 4 (RuPtdttteg)) were synthesized and characterised using <sup>1</sup>H and <sup>195</sup>Pt NMR spectroscopy, mass spectrometry and elemental analysis. The ligand substitution kinetics of the complexes with thiourea (TU), 1,3-dimethyl-2-thiourea (DMTU), 1,1,3,3-tetramethyl-2-thiourea (TMTU) and iodide (I<sup>-</sup>) were investigated under pseudo first-order conditions as a function of concentration and temperature using conventional Stopped-Flow techniques. The observed pseudo first-order rate constants followed the simple associative rate law <i>k</i><sub>obs</sub> = <i>k</i><sub>1</sub>[Nu]. Density Functional Theory (DFT) calculations demonstrate that the rate of substitution reactions of the heterometallic complexes is dependent on the geometry of the complexes more than it is on the electronic effects. An increase in the length of the polyethyleneglycol ether linker increases the entrapment effect of the nucleophiles due to the V-shape geometry of the complexes which in turn decreases the steric influence by the Ru(tpy)<sub>2</sub> moiety at the reactive Pt(II) metal centre and thus, the reactivity. The reactivity of the nucleophiles is sterically and electronically controlled. The activation parameters obtained support an associative mode of mechanism.
DOI: 10.3535/2g1-n7l-ftz
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/p64-atm-rv3
title: †Phymatopleuridae Batten, 1956

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/phb-0g0-cqz
title: Cyclocrinites C.E.I. von Eichwald, 1840

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/wdn-21j-ym6
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/3w4-ng0-bdh
title: †Orthoceras Bruguière, 1789

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/5gt-5h5-nez
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/aag-77f-hwd
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/zj9-jma-g7v
title: †Murchisonia d'Archiac & Verneuil, 1841

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/bsa-3vy-hp5
title: Chasmops

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/c4f-4yr-yet
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/2pw-w55-h3r
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/yw7-010-smk
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/l1x-k57-ckw
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/lvl-qmp-naz
title: †Orthoceras Bruguière, 1789

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/vap-9mq-318
title: †Dalmanella Hall & Clarke, 1892

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/bn6-f5x-ghd
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/yz8-3r0-dyb
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/csh-bap-sqg
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/nl1-1nn-wdd
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/5gk-4l8-rl8
title: †Dalmanella Hall & Clarke, 1892

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/rkl-syw-kv1
title: †Dalmanella Hall & Clarke, 1892

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/abs-62n-ga9
title: Animalia

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/jfc-z4c-9zh
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.