cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1626640.v2
title: Efficient and convenient synthesis, characterization, and antimicrobial evaluation of some new tetracyclic 1,4-benzothiazines

description: In the present study, 20 new tetracyclic 1,4-benzothiazines (<b>4a</b>–<b>4 t</b>) were conveniently synthesized in good yields and characterized by different spectral and physical techniques. The in vitro antimicrobial evaluation of the synthesized benzothiazine derivatives was performed by serial dilution against two Gram-positive bacteria [<i>Bacillus subtilis</i> (MTCC 441) and <i>Staphylococcus epidermidis</i> (MTCC 6880)], two Gram-negative bacteria [<i>Escherichia coli</i> (MTCC 1652) and <i>Pseudomonas aeruginosa</i> (MTCC 424)], and two fungal strains [<i>Candida albicans</i> (MTCC 227) and <i>Aspergillus niger</i> (MTCC 8189)]. The derivatives <b>4 l</b> and <b>4 t</b> were found to be more potent than standard drug, i.e., fluconazole, against <i>A. niger</i> and <i>C. albicans</i>, respectively.
DOI: 10.6084/m9.figshare.1626635
title: Effect of styrene maleic acid WIN55,212-2 micelles on neuropathic pain in a rat model

description: Cannabinoid receptor agonists are moderately effective at reducing neuropathic pain but are limited by psychoactivity. We developed a styrene maleic acid (SMA) based on the cannabinoid WIN 55,212-2 (WIN) and tested in a rat model of neuropathic pain and in the rotarod test. We hypothesized that miceller preparation can ensure prolonged plasma half-life being above the renal threshold of excretion. Furthermore, SMA-WIN could potentially reduce the central nervous system effects of encapsulated WIN by limiting its transport across the blood–brain barrier. Using the chronic constriction injury model of sciatic neuropathy, the SMA-WIN micelles were efficacious in the treatment of neuropathic pain for a prolonged period compared to control (base WIN). Attenuation of chronic constriction injury-induced mechanical allodynia occurred for up to 8 h at a dose of 11.5 mg/kg of SMA-WIN micelles. To evaluate central effects on motor function, the rotarod assessment was utilized. Results showed initial impairment caused by SMA-WIN micelles to be identical to WIN control for up to 1.5 h. Despite this, the SMA-WIN micelle formulation was able to produce prolonged analgesia over a time when there was decreased impairment in the rotarod test compared with base WIN.
DOI: 10.6084/m9.figshare.1626633
title: Homometallic glycolates containing hydroxyl functionality for anchoring another metal: synthesis and characterization of heterometallic alkoxide<b>–</b>glycolates of Ti and Zr incorporating Al and Nb

description: Reaction of Ti(OPr<sup><i>i</i></sup>)<sub>4</sub> with 2-methyl-2,4-pentanediol [HOGOH, where G = CMe<sub>2</sub>CH<sub>2</sub>CH(Me)] in 1 : 3 M ratio under reflux afforded the monomeric [Ti(OGO)(OGOH)<sub>2</sub>] (<b>1</b>), which on further reactions with [Al(OPr<sup><i>i</i></sup>)<sub>3</sub>] or [Nb(OPr<sup><i>i</i></sup>)<sub>5</sub>] in 1 : 1 and 1 : 2 M ratios afforded heterometallic derivatives, [Ti(OGO)<sub>3</sub>{M(OPr<sup><i>i</i></sup>)<sub>n−2</sub>}] and [Ti(OGO)<sub>3</sub>{M(OPr<sup><i>i</i></sup>)<sub>n−1</sub>}<sub>2</sub>] [where M = Al (<i>n</i> = 3), Nb (<i>n</i> = 5)], respectively. Similar reactions of Zr(OPr<sup><i>i</i></sup>)<sub>4</sub>∙Pr<sup><i>i</i></sup>OH with a number of glycols [HOGOH, where G = CH(Me)CH(Me), CMe<sub>2</sub>CMe<sub>2</sub>, CMe<sub>2</sub>CH<sub>2</sub>CH(Me)] yielded dimeric [Zr<sub>2</sub>(OGO)<sub>2</sub>(OGOH)<sub>4</sub>]. [Zr<sub>2</sub>(OGO)<sub>6</sub>{M(OPr<sup><i>i</i></sup>)<sub>n−2</sub>}<sub>2</sub>] and [Zr<sub>2</sub>(OGO)<sub>4</sub>(OGOH)<sub>2</sub>M(OPr<sup><i>i</i></sup>)<sub>n−2</sub>] [M = Al (<i>n</i> = 3), Ti (<i>n</i> = 4), Nb (<i>n</i> = 5)] were prepared by 1 : 2 and 1 : 1 reactions, respectively, of [Zr<sub>2</sub>(OGO)<sub>2</sub>(OGOH)<sub>4</sub>] with Al(OPr<sup><i>i</i></sup>)<sub>3</sub>, Ti(OPr<sup><i>i</i></sup>)<sub>4</sub>, or Nb(OPr<sup><i>i</i></sup>)<sub>5</sub>. Surprisingly, a 1 : 2 reaction of [VO(OPr<sup><i>i</i></sup>)<sub>3</sub>] with 2,2-diethyl-1,3-propanediol in benzene followed a different reaction and produced a neutral tetranuclear derivative [V<sub>4</sub>(O)<sub>4</sub>(μ-OCH<sub>2</sub>CEt<sub>2</sub>CH<sub>2</sub>O)<sub>2</sub>(OCH<sub>2</sub>CEt<sub>2</sub>CH<sub>2</sub>O)<sub>4</sub>] (<b>18</b>). All of these derivatives were characterized by elemental analysis, molecular weight measurements, FT-IR, and <sup>1</sup>H NMR (and wherever possible, by <sup>27</sup>Al or <sup>51</sup>V NMR) spectroscopic studies. The derivatives [Zr<sub>2</sub>(OCMe<sub>2</sub>CH<sub>2</sub>CH(Me)O)<sub>2</sub>(OCMe<sub>2</sub>CH<sub>2</sub>CH(Me)OH)<sub>4</sub>] (<b>9</b> and <b>18</b>) were additionally characterized by single-crystal X-ray structure analysis.
DOI: 10.6084/m9.figshare.1626635.v1
title: Effect of styrene maleic acid WIN55,212-2 micelles on neuropathic pain in a rat model

description: Cannabinoid receptor agonists are moderately effective at reducing neuropathic pain but are limited by psychoactivity. We developed a styrene maleic acid (SMA) based on the cannabinoid WIN 55,212-2 (WIN) and tested in a rat model of neuropathic pain and in the rotarod test. We hypothesized that miceller preparation can ensure prolonged plasma half-life being above the renal threshold of excretion. Furthermore, SMA-WIN could potentially reduce the central nervous system effects of encapsulated WIN by limiting its transport across the blood–brain barrier. Using the chronic constriction injury model of sciatic neuropathy, the SMA-WIN micelles were efficacious in the treatment of neuropathic pain for a prolonged period compared to control (base WIN). Attenuation of chronic constriction injury-induced mechanical allodynia occurred for up to 8 h at a dose of 11.5 mg/kg of SMA-WIN micelles. To evaluate central effects on motor function, the rotarod assessment was utilized. Results showed initial impairment caused by SMA-WIN micelles to be identical to WIN control for up to 1.5 h. Despite this, the SMA-WIN micelle formulation was able to produce prolonged analgesia over a time when there was decreased impairment in the rotarod test compared with base WIN.
DOI: 10.6084/m9.figshare.1626633.v1
title: Homometallic glycolates containing hydroxyl functionality for anchoring another metal: synthesis and characterization of heterometallic alkoxide<b>–</b>glycolates of Ti and Zr incorporating Al and Nb

description: Reaction of Ti(OPr<sup><i>i</i></sup>)<sub>4</sub> with 2-methyl-2,4-pentanediol [HOGOH, where G = CMe<sub>2</sub>CH<sub>2</sub>CH(Me)] in 1 : 3 M ratio under reflux afforded the monomeric [Ti(OGO)(OGOH)<sub>2</sub>] (<b>1</b>), which on further reactions with [Al(OPr<sup><i>i</i></sup>)<sub>3</sub>] or [Nb(OPr<sup><i>i</i></sup>)<sub>5</sub>] in 1 : 1 and 1 : 2 M ratios afforded heterometallic derivatives, [Ti(OGO)<sub>3</sub>{M(OPr<sup><i>i</i></sup>)<sub>n−2</sub>}] and [Ti(OGO)<sub>3</sub>{M(OPr<sup><i>i</i></sup>)<sub>n−1</sub>}<sub>2</sub>] [where M = Al (<i>n</i> = 3), Nb (<i>n</i> = 5)], respectively. Similar reactions of Zr(OPr<sup><i>i</i></sup>)<sub>4</sub>∙Pr<sup><i>i</i></sup>OH with a number of glycols [HOGOH, where G = CH(Me)CH(Me), CMe<sub>2</sub>CMe<sub>2</sub>, CMe<sub>2</sub>CH<sub>2</sub>CH(Me)] yielded dimeric [Zr<sub>2</sub>(OGO)<sub>2</sub>(OGOH)<sub>4</sub>]. [Zr<sub>2</sub>(OGO)<sub>6</sub>{M(OPr<sup><i>i</i></sup>)<sub>n−2</sub>}<sub>2</sub>] and [Zr<sub>2</sub>(OGO)<sub>4</sub>(OGOH)<sub>2</sub>M(OPr<sup><i>i</i></sup>)<sub>n−2</sub>] [M = Al (<i>n</i> = 3), Ti (<i>n</i> = 4), Nb (<i>n</i> = 5)] were prepared by 1 : 2 and 1 : 1 reactions, respectively, of [Zr<sub>2</sub>(OGO)<sub>2</sub>(OGOH)<sub>4</sub>] with Al(OPr<sup><i>i</i></sup>)<sub>3</sub>, Ti(OPr<sup><i>i</i></sup>)<sub>4</sub>, or Nb(OPr<sup><i>i</i></sup>)<sub>5</sub>. Surprisingly, a 1 : 2 reaction of [VO(OPr<sup><i>i</i></sup>)<sub>3</sub>] with 2,2-diethyl-1,3-propanediol in benzene followed a different reaction and produced a neutral tetranuclear derivative [V<sub>4</sub>(O)<sub>4</sub>(μ-OCH<sub>2</sub>CEt<sub>2</sub>CH<sub>2</sub>O)<sub>2</sub>(OCH<sub>2</sub>CEt<sub>2</sub>CH<sub>2</sub>O)<sub>4</sub>] (<b>18</b>). All of these derivatives were characterized by elemental analysis, molecular weight measurements, FT-IR, and <sup>1</sup>H NMR (and wherever possible, by <sup>27</sup>Al or <sup>51</sup>V NMR) spectroscopic studies. The derivatives [Zr<sub>2</sub>(OCMe<sub>2</sub>CH<sub>2</sub>CH(Me)O)<sub>2</sub>(OCMe<sub>2</sub>CH<sub>2</sub>CH(Me)OH)<sub>4</sub>] (<b>9</b> and <b>18</b>) were additionally characterized by single-crystal X-ray structure analysis.
DOI: 10.6084/m9.figshare.1626629
title: Cytosolic delivery <i>via</i> escape from the endosome using emulsion droplets and ultrasound

description: Vaporizing emulsion droplets may aid in endosomal rupture as a drug delivery route to the cytosol. Upon insonation, emulsion droplets formed from perfluorocarbon liquids may vaporize with sufficient expansion to disrupt liposomal or endosomal membranes. Emulsion droplets of perfluorohexane (PFC6) or perfluoropentane (PFC5) were prepared as free droplets in calcein or as droplets encapsulated within liposomes containing calcein. Folate-stimulated endocytosis created an experimental model, wherein calcein was self-quenched until released from the vesicles. Upon release, calcein was diluted below its self-quenching concentration and its release quantified by fluorescence. In this experimental model, folated emulsions or folated eLiposomes were incubated with folate-starved HeLa cells. Samples were exposed to two seconds of 20-kHz ultrasound (US) at 1 W/cm<sup>2</sup>. Fluorescence microscopy identified released intracellular calcein. Upon insonation, both free emulsion samples and eLiposome samples produced calcein release to the cytosol. Calcein fluorescence was more intense in samples containing PFC5 compared to PFC6. Insonation of samples without emulsion droplets produced no cytosolic delivery. Likewise, cells that took up emulsion droplets but were not exposed to US did not exhibit fluorescence throughout the cell. These results suggest that vaporizing emulsion droplets are internalized into the cells and can produce endosomal escape of a therapeutic payload.
DOI: 10.6084/m9.figshare.1626629.v1
title: Cytosolic delivery <i>via</i> escape from the endosome using emulsion droplets and ultrasound

description: Vaporizing emulsion droplets may aid in endosomal rupture as a drug delivery route to the cytosol. Upon insonation, emulsion droplets formed from perfluorocarbon liquids may vaporize with sufficient expansion to disrupt liposomal or endosomal membranes. Emulsion droplets of perfluorohexane (PFC6) or perfluoropentane (PFC5) were prepared as free droplets in calcein or as droplets encapsulated within liposomes containing calcein. Folate-stimulated endocytosis created an experimental model, wherein calcein was self-quenched until released from the vesicles. Upon release, calcein was diluted below its self-quenching concentration and its release quantified by fluorescence. In this experimental model, folated emulsions or folated eLiposomes were incubated with folate-starved HeLa cells. Samples were exposed to two seconds of 20-kHz ultrasound (US) at 1 W/cm<sup>2</sup>. Fluorescence microscopy identified released intracellular calcein. Upon insonation, both free emulsion samples and eLiposome samples produced calcein release to the cytosol. Calcein fluorescence was more intense in samples containing PFC5 compared to PFC6. Insonation of samples without emulsion droplets produced no cytosolic delivery. Likewise, cells that took up emulsion droplets but were not exposed to US did not exhibit fluorescence throughout the cell. These results suggest that vaporizing emulsion droplets are internalized into the cells and can produce endosomal escape of a therapeutic payload.
DOI: 10.6084/m9.figshare.1626624
title: Change in calculated cardiovascular risk due to guideline revision: A cross-sectional study in the Netherlands

description: <b>Background:</b> Guidelines and accompanying risk charts concerning cardiovascular risk management (CVRM) are regularly revised worldwide.<b>Objective:</b> To evaluate whether revision of the Dutch CVRM guideline has led to the reclassification of patients and, accordingly, to changes in drug recommendations.<b>Methods:</b> All medical records (year 2011) of patients aged 40–65 years with no history of cardiovascular disease (CVD) but using antihypertensive and/or lipid-lowering drugs, were selected from the Registration Network of General Practices associated with Leiden University Medical Center. Multiple imputation techniques for missing determinants were used. The individual cardiovascular risk was calculated and the resulting drug recommendation was assessed according to both the 2006 and 2012 versions of the guideline.<b>Results:</b> In total, 2075 patients were selected, of whom 1248 fulfilled the guideline criteria (systolic blood pressure 115–180 mmHg and total cholesterol/high-density-lipoprotein-cholesterol ratio 3.5–8). According to the 2012 guideline, 58.2% of the patients had low risk and 249 patients (20.0%) shifted to a different risk category. For 150 of these patients (12.0%), this category shift implied a shift in drug recommendation. The probability of shifting in drug recommendation increased with increasing age, cholesterol level, and blood pressure, and by being male.<b>Conclusion:</b> Guideline revision may have important implications: based on identical values for risk factors, according to the latest revision of the Dutch CVRM guideline 20% of patients shifted in risk category and 12% of the patients shifted in drug recommendation.
DOI: 10.6084/m9.figshare.1626624.v1
title: Change in calculated cardiovascular risk due to guideline revision: A cross-sectional study in the Netherlands

description: <b>Background:</b> Guidelines and accompanying risk charts concerning cardiovascular risk management (CVRM) are regularly revised worldwide.<b>Objective:</b> To evaluate whether revision of the Dutch CVRM guideline has led to the reclassification of patients and, accordingly, to changes in drug recommendations.<b>Methods:</b> All medical records (year 2011) of patients aged 40–65 years with no history of cardiovascular disease (CVD) but using antihypertensive and/or lipid-lowering drugs, were selected from the Registration Network of General Practices associated with Leiden University Medical Center. Multiple imputation techniques for missing determinants were used. The individual cardiovascular risk was calculated and the resulting drug recommendation was assessed according to both the 2006 and 2012 versions of the guideline.<b>Results:</b> In total, 2075 patients were selected, of whom 1248 fulfilled the guideline criteria (systolic blood pressure 115–180 mmHg and total cholesterol/high-density-lipoprotein-cholesterol ratio 3.5–8). According to the 2012 guideline, 58.2% of the patients had low risk and 249 patients (20.0%) shifted to a different risk category. For 150 of these patients (12.0%), this category shift implied a shift in drug recommendation. The probability of shifting in drug recommendation increased with increasing age, cholesterol level, and blood pressure, and by being male.<b>Conclusion:</b> Guideline revision may have important implications: based on identical values for risk factors, according to the latest revision of the Dutch CVRM guideline 20% of patients shifted in risk category and 12% of the patients shifted in drug recommendation.
DOI: 10.6084/m9.figshare.1625574
title: Flagellar waveforms of gametes in the brown alga <i>Ectocarpus siliculosus</i>

description: Brown algae are members of the Stramenopiles and their gametes generally have two heterogeneous flagella: a long anterior flagellum (AF) with mastigonemes and a short posterior flagellum (PF). In this study, swimming paths and flagellar waveforms in free-swimming and thigmotactic-swimming male and female gametes and in male gametes during chemotaxis, were quantitatively analysed in the model brown alga <i>Ectocarpus siliculosus</i>. This analysis was performed using a high-speed video camera. It was revealed that the AF plays a role in changing the locomotion of male and female gametes from free-swimming to thigmotactic-swimming and also in changing the swimming path of male gametes from linear to circular during chemotaxis. In the presence of a sex pheromone, male gametes changed their swimming path from linear (swimming path curvature, 0–0.02 µm<sup>–1</sup>) to middle and small circular path (swimming path curvature, 0.04–0.20 µm<sup>–1</sup>). The flagellar asymmetry and the deflection angle of the AF became larger, whereas the oscillation pattern of the AF was stable. However, there was no correlation between the flagellar asymmetry and the deflection angle of the AF and the path curvature when the male gametes showed middle to small circular paths. The PF irregularly changed the deflection angle and the oscillation pattern was unstable depending on the gradient of the sex pheromone concentration. AF waveforms were independent of PF locomotion during chemotaxis. This means that the AF has the ability to change the swimming path of male gametes – for example, from a highly linear path to a circular path – while changes in locomotion from a middle circle path to a small circle path is the result of beating of the PF.
DOI: 10.6084/m9.figshare.1625573
title: Reporting health care decision models: a prospective reliability study of a multidimensional evaluation framework

description: ABSTRACTThe aim of this study was to evaluate the inter-rater reliability of the Phillips-checklist, a proposed framework for the quality assessment of modeling studies. Six raters evaluated nine modeling studies from three different medical specialties. Intra-class correlation (ICC) and corresponding variance components were estimated from these studies. Raters were asked to comment on their experience with the framework. While overall the mean inter-rater reliability showed no significant rater-effect (ICC = 0.69, <i>p</i> = 0.064), there was – presumably as a result of a lower study variability – a significant rater effect for clopidogrel only (<i>p</i>
DOI: 10.6084/m9.figshare.1625574.v1
title: Flagellar waveforms of gametes in the brown alga <i>Ectocarpus siliculosus</i>

description: Brown algae are members of the Stramenopiles and their gametes generally have two heterogeneous flagella: a long anterior flagellum (AF) with mastigonemes and a short posterior flagellum (PF). In this study, swimming paths and flagellar waveforms in free-swimming and thigmotactic-swimming male and female gametes and in male gametes during chemotaxis, were quantitatively analysed in the model brown alga <i>Ectocarpus siliculosus</i>. This analysis was performed using a high-speed video camera. It was revealed that the AF plays a role in changing the locomotion of male and female gametes from free-swimming to thigmotactic-swimming and also in changing the swimming path of male gametes from linear to circular during chemotaxis. In the presence of a sex pheromone, male gametes changed their swimming path from linear (swimming path curvature, 0–0.02 µm<sup>–1</sup>) to middle and small circular path (swimming path curvature, 0.04–0.20 µm<sup>–1</sup>). The flagellar asymmetry and the deflection angle of the AF became larger, whereas the oscillation pattern of the AF was stable. However, there was no correlation between the flagellar asymmetry and the deflection angle of the AF and the path curvature when the male gametes showed middle to small circular paths. The PF irregularly changed the deflection angle and the oscillation pattern was unstable depending on the gradient of the sex pheromone concentration. AF waveforms were independent of PF locomotion during chemotaxis. This means that the AF has the ability to change the swimming path of male gametes – for example, from a highly linear path to a circular path – while changes in locomotion from a middle circle path to a small circle path is the result of beating of the PF.
DOI: 10.6084/m9.figshare.1625573.v1
title: Reporting health care decision models: a prospective reliability study of a multidimensional evaluation framework

description: ABSTRACTThe aim of this study was to evaluate the inter-rater reliability of the Phillips-checklist, a proposed framework for the quality assessment of modeling studies. Six raters evaluated nine modeling studies from three different medical specialties. Intra-class correlation (ICC) and corresponding variance components were estimated from these studies. Raters were asked to comment on their experience with the framework. While overall the mean inter-rater reliability showed no significant rater-effect (ICC = 0.69, <i>p</i> = 0.064), there was – presumably as a result of a lower study variability – a significant rater effect for clopidogrel only (<i>p</i>
DOI: 10.6084/m9.figshare.1625566
title: Characterizing patients with psoriasis on injectable biologics adalimumab, etanercept, and ustekinumab: A chart review study

description: <i>Objective</i>: This study examined plaque psoriasis (PsO) patient characteristics across injectable biologics. <i>Methods</i>: Data were collected from 400 US dermatologists randomly selecting five charts each for patients with PsO (patient <i>n</i> = 2000): adalimumab (ADA; <i>n</i> = 447), etanercept (ETA; 539), ustekinumab (UST) 45 mg (511) and UST 90 mg (503). Physicians had to have been in practice 2–30 years, managing 10+ patients (5 + with biologics for PsO). Generalized estimating equation models, weighted according to inverse probability of patient selection and accounting for patient correlation within physicians, examined patient measures as a function of treatment (UST 90 mg = reference). <i>Results</i>: Patients on UST 90 mg had higher odds of weighing &gt;100 kg (adjusted mean = 34.4%) vs. ADA (10.9%), ETA (5.5%) or UST 45 mg (6.8%), greater body surface affected and higher odds of severe PsO prior to treatment and higher odds of prior biologics use. Mean prior biologics used was higher with UST 90 mg versus ADA or ETA. Number of comorbidities was higher with UST 90 mg versus ETA or UST 45 mg. <i>Conclusions</i>: Among biologics-treated patients with PsO, UST 90 mg appears to be used in patients with greater weight, baseline severity and prior biologics experience than ADA, ETA or UST 45 mg. UST 90 mg is used in patients with more comorbidities than other treatments except ADA.