cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1727040
title: Materials Data on CsHo2Cu3Se5 by Materials Project

description: CsHo2Cu3Se5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.50–3.66 Å. Ho3+ is bonded to six Se2- atoms to form HoSe6 octahedra that share a cornercorner with one HoSe6 octahedra, corners with four equivalent CuSe4 tetrahedra, edges with four equivalent HoSe6 octahedra, and edges with five CuSe4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Ho–Se bond distances ranging from 2.82–2.92 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with six CuSe4 tetrahedra and edges with four equivalent HoSe6 octahedra. There are two shorter (2.39 Å) and two longer (2.78 Å) Cu–Se bond lengths. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent HoSe6 octahedra, corners with four CuSe4 tetrahedra, edges with three equivalent HoSe6 octahedra, and an edgeedge with one CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–60°. There are three shorter (2.52 Å) and one longer (2.53 Å) Cu–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Ho3+, and two equivalent Cu1+ atoms. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to two equivalent Cs1+, two equivalent Ho3+, and three Cu1+ atoms. In the third Se2- site, Se2- is bonded to one Cs1+, three equivalent Ho3+, and two equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeCsHo3Cu2 octahedra. The corner-sharing octahedral tilt angles are 54°.
DOI: 10.6084/m9.figshare.13676995
title: Supplementary Material for: Evolutions in the Management of Hepatocellular Carcinoma over Last 4 Decades: An Analysis from the 100 Most Influential Articles in the Field

description: <b><i>Introduction:</i></b> Over the past 4 decades, the management of hepatocellular carcinoma (HCC) has changed dramatically. The publications that have had the most significant impact on HCC management have not been quantitatively analyzed. In this article, we analyzed the 100 most influential articles over the past 4 decades using bibliometric citation analysis to characterize the evolution in HCC treatment. <b><i>Methods:</i></b> The top-cited publications were identified and analyzed from the Clarivate Analytics Web of Science Core Collection database. <b><i>Results:</i></b> The 100 most cited articles were identified with an average of 738 citations (range: 349–6,799). There was an increase in the number of influential articles in the late 1990s, which was paralleled by an increase in reports focused on locoregional treatment of HCC. Most top 100 articles came from the USA (<i>n</i> = 35), followed by Italy (<i>n</i> = 28), mainland China (<i>n</i> = 26), and Japan (<i>n</i> = 24). The surgical management was the most studied topic (<i>n</i> = 33). The <i>Annals of Surgery</i> published the highest number of papers (<i>n</i> = 26) with 13,978 citations. While other 3 topics (surgical management, locoregional treatment, and outcome prediction) declined among publications beginning in the 2000s, there was an emergence of highly cited papers on targeted drugs and immune checkpoint inhibitors with a concomitant increase in the number of publications on systemic therapy. <b><i>Conclusions:</i></b> Based on bibliometric analysis of the literature over the last 40 years, a comprehensive analysis of the most historically significant HCC management articles highlighted the key contributions made to the evolution and advancement of this specialist field. The data should provide clinicians and researchers insight into future directions relative to the advancement of HCC management.
DOI: 10.17188/1727041
title: Materials Data on Fe2Ni3N4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.6084/m9.figshare.13685812.v1
title: Supplementary Material for: Promoter Methylation of <b><i>LEP</i></b> and <b><i>LEPR</i></b> before and after Bariatric Surgery: A Cross-Sectional Study

description: <b><i>Introduction:</i></b> DNA methylation constitutes one important epigenetic mechanism that regulates gene expression in human cells. With regard to obesity, bariatric surgery-induced weight loss has been associated with promoter methylation changes in several genes. Hyperleptinemia is a characteristic feature of obesity. The underlying regulating mechanisms have not yet been completely elucidated. <b><i>Methods:</i></b> We investigated the methylation of the promoters of the leptin gene (<i>LEP</i>) and the leptin receptor gene (<i>LEPR</i>) as well as leptin expression in pre- and postbariatric surgery patients using a comparative cross-sectional design. <b><i>Results:</i></b> Our results revealed significantly higher <i>LEP</i> promoter methylation patterns in prebariatric surgery patients compared to postoperatively. DNA methylation of the <i>LEPR</i> promoter was significantly higher in the postoperative group. Moreover, we found significantly higher leptin serum levels in patients before the bariatric surgery than afterwards. <b><i>Discussion:</i></b> These findings strengthen the suggestion that there is an association between LEP expression and <i>LEP</i> methylation in obesity. We suggest that the epigenetic profile of <i>LEP</i> might be influenced by leptin serum levels in the form of a regulating feedback mechanism.
DOI: 10.17188/1727042
title: Materials Data on Na4W4O15 by Materials Project

description: Na4W4O15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.37–2.82 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share a cornercorner with one NaO6 octahedra, corners with three equivalent WO6 octahedra, and an edgeedge with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. There are a spread of Na–O bond distances ranging from 2.28–2.68 Å. There are two inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.79–2.28 Å. In the second W site, W is bonded to six O atoms to form distorted WO6 octahedra that share corners with three equivalent NaO6 octahedra and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 49–62°. There are a spread of W–O bond distances ranging from 1.80–2.15 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Na atoms. In the second O site, O is bonded in a distorted T-shaped geometry to two Na and one W atom. In the third O site, O is bonded to three Na and one W atom to form a mixture of distorted edge and corner-sharing ONa3W trigonal pyramids. In the fourth O site, O is bonded in a trigonal planar geometry to one Na and two W atoms. In the fifth O site, O is bonded in a distorted T-shaped geometry to three W atoms. In the sixth O site, O is bonded to two equivalent Na and two W atoms to form distorted ONa2W2 trigonal pyramids that share a cornercorner with one ONa3W trigonal pyramid and edges with two ONa2W2 trigonal pyramids. In the seventh O site, O is bonded in a 3-coordinate geometry to one Na and two W atoms. In the eighth O site, O is bonded in a distorted T-shaped geometry to two Na and one W atom.
DOI: 10.6084/m9.figshare.13676995.v1
title: Supplementary Material for: Evolutions in the Management of Hepatocellular Carcinoma over Last 4 Decades: An Analysis from the 100 Most Influential Articles in the Field

description: <b><i>Introduction:</i></b> Over the past 4 decades, the management of hepatocellular carcinoma (HCC) has changed dramatically. The publications that have had the most significant impact on HCC management have not been quantitatively analyzed. In this article, we analyzed the 100 most influential articles over the past 4 decades using bibliometric citation analysis to characterize the evolution in HCC treatment. <b><i>Methods:</i></b> The top-cited publications were identified and analyzed from the Clarivate Analytics Web of Science Core Collection database. <b><i>Results:</i></b> The 100 most cited articles were identified with an average of 738 citations (range: 349–6,799). There was an increase in the number of influential articles in the late 1990s, which was paralleled by an increase in reports focused on locoregional treatment of HCC. Most top 100 articles came from the USA (<i>n</i> = 35), followed by Italy (<i>n</i> = 28), mainland China (<i>n</i> = 26), and Japan (<i>n</i> = 24). The surgical management was the most studied topic (<i>n</i> = 33). The <i>Annals of Surgery</i> published the highest number of papers (<i>n</i> = 26) with 13,978 citations. While other 3 topics (surgical management, locoregional treatment, and outcome prediction) declined among publications beginning in the 2000s, there was an emergence of highly cited papers on targeted drugs and immune checkpoint inhibitors with a concomitant increase in the number of publications on systemic therapy. <b><i>Conclusions:</i></b> Based on bibliometric analysis of the literature over the last 40 years, a comprehensive analysis of the most historically significant HCC management articles highlighted the key contributions made to the evolution and advancement of this specialist field. The data should provide clinicians and researchers insight into future directions relative to the advancement of HCC management.
DOI: 10.6084/m9.figshare.13685812
title: Supplementary Material for: Promoter Methylation of <b><i>LEP</i></b> and <b><i>LEPR</i></b> before and after Bariatric Surgery: A Cross-Sectional Study

description: <b><i>Introduction:</i></b> DNA methylation constitutes one important epigenetic mechanism that regulates gene expression in human cells. With regard to obesity, bariatric surgery-induced weight loss has been associated with promoter methylation changes in several genes. Hyperleptinemia is a characteristic feature of obesity. The underlying regulating mechanisms have not yet been completely elucidated. <b><i>Methods:</i></b> We investigated the methylation of the promoters of the leptin gene (<i>LEP</i>) and the leptin receptor gene (<i>LEPR</i>) as well as leptin expression in pre- and postbariatric surgery patients using a comparative cross-sectional design. <b><i>Results:</i></b> Our results revealed significantly higher <i>LEP</i> promoter methylation patterns in prebariatric surgery patients compared to postoperatively. DNA methylation of the <i>LEPR</i> promoter was significantly higher in the postoperative group. Moreover, we found significantly higher leptin serum levels in patients before the bariatric surgery than afterwards. <b><i>Discussion:</i></b> These findings strengthen the suggestion that there is an association between LEP expression and <i>LEP</i> methylation in obesity. We suggest that the epigenetic profile of <i>LEP</i> might be influenced by leptin serum levels in the form of a regulating feedback mechanism.
DOI: 10.17188/1727043
title: Materials Data on Ca5Cr3ClO12 by Materials Project

description: Ca5(CrO4)3Cl crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.40 Å) and three longer (2.44 Å) Ca–O bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to five O2- and two equivalent Cl1- atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.48 Å. Both Ca–Cl bond lengths are 3.09 Å. Cr5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.71–1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Cr5+ atom. In the second O2- site, O2- is bonded to three Ca2+ and one Cr5+ atom to form distorted OCa3Cr tetrahedra that share corners with two equivalent ClCa6 octahedra and edges with two equivalent OCa3Cr tetrahedra. The corner-sharing octahedral tilt angles are 38°. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+ and one Cr5+ atom. Cl1- is bonded to six equivalent Ca2+ atoms to form distorted ClCa6 octahedra that share corners with six equivalent OCa3Cr tetrahedra and faces with two equivalent ClCa6 octahedra.
DOI: 10.17188/1727044
title: Materials Data on Rb2LuAgCl6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1727045
title: Materials Data on Ba11W4O23 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1727046
title: Materials Data on Rb2LiNd(BO3)2 by Materials Project

description: Rb2LiNd(BO3)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Rb1+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.33 Å. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent NdO8 hexagonal bipyramids and an edgeedge with one NdO8 hexagonal bipyramid. There are a spread of Li–O bond distances ranging from 1.88–2.01 Å. Nd3+ is bonded to eight O2- atoms to form distorted NdO8 hexagonal bipyramids that share corners with four equivalent NdO8 hexagonal bipyramids, corners with two equivalent LiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Nd–O bond distances ranging from 2.40–2.68 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.41 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.40 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Li1+, one Nd3+, and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+, one Li1+, one Nd3+, and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+, one Li1+, one Nd3+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Nd3+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Nd3+, and one B3+ atom.
DOI: 10.17188/1727047
title: Materials Data on Mg21FeSi12(HO16)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1727048
title: Materials Data on BaO3 by Materials Project

description: BaO3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.73–2.92 Å. There are three inequivalent O sites. In the first O site, O is bonded to three equivalent Ba and two equivalent O atoms to form distorted corner-sharing OBa3O2 trigonal bipyramids. Both O–O bond lengths are 1.81 Å. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent Ba and two equivalent O atoms. In the third O site, O is bonded in a distorted square co-planar geometry to four equivalent Ba atoms.
DOI: 10.17188/1727049
title: Materials Data on KLaC4O11 by Materials Project

description: KLaC4O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to five O atoms. There are a spread of K–O bond distances ranging from 2.41–3.37 Å. La is bonded in a 6-coordinate geometry to six O atoms. There are a spread of La–O bond distances ranging from 2.21–2.65 Å. There are four inequivalent C sites. In the first C site, C is bonded in a 2-coordinate geometry to two O atoms. There is one shorter (1.22 Å) and one longer (1.28 Å) C–O bond length. In the second C site, C is bonded in a 2-coordinate geometry to two O atoms. There is one shorter (1.28 Å) and one longer (1.29 Å) C–O bond length. In the third C site, C is bonded in a 2-coordinate geometry to one C and two O atoms. The C–C bond length is 1.40 Å. There is one shorter (1.64 Å) and one longer (1.81 Å) C–O bond length. In the fourth C site, C is bonded in a 4-coordinate geometry to one C and three O atoms. The C–C bond length is 1.52 Å. There are a spread of C–O bond distances ranging from 1.37–1.94 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one La and one O atom. The O–O bond length is 1.01 Å. In the second O site, O is bonded in a 2-coordinate geometry to one K, one La, and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to one La and one C atom. In the fourth O site, O is bonded in a single-bond geometry to one La, one C, and one O atom. The O–O bond length is 1.92 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to one La and one C atom. In the sixth O site, O is bonded in a single-bond geometry to one C atom. In the seventh O site, O is bonded in a 2-coordinate geometry to one K and one C atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one C atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one K and two equivalent C atoms. In the tenth O site, O is bonded in a 1-coordinate geometry to two equivalent K and one O atom. In the eleventh O site, O is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1727050
title: Materials Data on BaFeBP2O9 by Materials Project

description: BaFeBP2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.82–3.01 Å. Fe3+ is bonded to six O2- atoms to form distorted FeO6 octahedra that share a cornercorner with one BO4 tetrahedra and corners with five PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.83–2.27 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one FeO6 octahedra and corners with three PO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of B–O bond distances ranging from 1.38–1.56 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent FeO6 octahedra and corners with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–60°. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent FeO6 octahedra and a cornercorner with one BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–48°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Fe3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Fe3+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one B3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Fe3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Fe3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Fe3+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ba2+, one B3+, and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one B3+ atom.
DOI: 10.17188/1727051
title: Materials Data on Li2CoP2O7 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1727052
title: Materials Data on Sc3(FeSi3)2 by Materials Project

description: Sc3(FeSi3)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to eight Si atoms. There are a spread of Sc–Si bond distances ranging from 2.71–2.92 Å. In the second Sc site, Sc is bonded in a 7-coordinate geometry to two equivalent Fe and seven Si atoms. Both Sc–Fe bond lengths are 2.99 Å. There are a spread of Sc–Si bond distances ranging from 2.69–2.89 Å. In the third Sc site, Sc is bonded in a 12-coordinate geometry to four Fe and eight Si atoms. There are two shorter (2.94 Å) and two longer (2.97 Å) Sc–Fe bond lengths. There are a spread of Sc–Si bond distances ranging from 2.65–2.93 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sc and six Si atoms. There are a spread of Fe–Si bond distances ranging from 2.32–2.45 Å. In the second Fe site, Fe is bonded to four Sc, two equivalent Fe, and six Si atoms to form a mixture of distorted corner and face-sharing FeSc4Fe2Si6 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å. There are four shorter (2.37 Å) and two longer (2.39 Å) Fe–Si bond lengths. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to three Sc, three Fe, and one Si atom. The Si–Si bond length is 2.43 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to six Sc, two equivalent Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.54 Å. In the third Si site, Si is bonded in a 5-coordinate geometry to three Sc and two equivalent Fe atoms. In the fourth Si site, Si is bonded in a 12-coordinate geometry to four Sc, two equivalent Fe, and two equivalent Si atoms. There are one shorter (2.52 Å) and one longer (2.55 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 10-coordinate geometry to four Sc, two equivalent Fe, and one Si atom. The Si–Si bond length is 2.58 Å. In the sixth Si site, Si is bonded in a 6-coordinate geometry to three equivalent Sc, one Fe, and two Si atoms.