cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1732133
title: Materials Data on KB5(H2O5)2 by Materials Project

description: KB5O6(OH)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one KB5O6(OH)4 sheet oriented in the (1, 0, 0) direction. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.28 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 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 one shorter (1.36 Å) and two longer (1.39 Å) B–O bond length. In the third B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.39 Å) B–O bond length. In the fifth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.40 Å) B–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.57 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+, one B3+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two B3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to one B3+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and three H1+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent K1+ and two B3+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent K1+ and two B3+ atoms.
DOI: 10.14457/cu.the.2016.461
title: AN ADOPTION OF MARPOL 73/78 FOR MANAGING SHIP-GENERATED GARBAGE IN LAEM CHABANG PORT : A CASE OF SHIPPING COLLABORATIONS

description: Ship-generated garbage is harmful to aquatic creatures and ecosystems. To prevent the marine environment from this pollutant, the adequate provision of garbage reception facility (GRF) in seaports is critical. This study contributes the practitioner and the literature by developing collaboration concepts for managing it through four objectives: 1) to survey the levels of existing performances in providing GRF of LCP; 2) to analyze the impact of factors on the motivations of shipping companies in delivering their ship-generated garbage at the GRF of LCP; 3) to analyze the relationship of collaborations between LCP and the shipping companies and suggest how to boost up the collaborations; and 4) to analyze the benefits expected to gain from the collaborations between LCP and the shipping companies. To analyze the data, the multivariate analysis of variance was used in objective 1, 2 and 4 while the ordinal regression model was adopted in objective 3. The data was gathered through the adoption of the questionnaires which were sent to 148 shipping firms. The complete questionnaires were returned from 127 shipping firms with the response rate of 85.81%. The analysis indicates that 1) the frequency of ship berthing at LCP per year, 2) the nationality of the shipping firms and 3) the types of ships operated by the shipping firms, influence on the differences of attitude of ship operators as follow: 1) the performances in providing GRF of LCP and 2) the motivations in delivering their ship-generated garbage at the GRF of LCP. The findings enable us to identify 1) the failure of LCP in maintaining performances required by MARPOL 73/78 and 2) the deficiency in enforcing the national laws of Marine Department of Thailand. Finally, three collaboration models verified by ship operators are developed to alleviate the existing challenges and enhance the marine pollution prevention from ship-generated garbage at LCP.
DOI: 10.17188/1732135
title: Materials Data on Sm3Ga2 by Materials Project

description: Sm3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Sm–Ga bond distances ranging from 2.99–3.77 Å. In the second Sm site, Sm is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.08–3.62 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.05–3.39 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Sm atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Sm atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Sm and one Ga atom. The Ga–Ga bond length is 2.83 Å.
DOI: 10.14457/cu.the.2016.462
title: In vitro study of efficacy of pramlintide in osteosarcoma

description: Osteosarcoma (OS) is the most common primary bone cancer in young adults and children. After the development of chemotherapy in 1970, the survival rate improved from 50 to 70%; however, it has reached its plateau at 70% for almost 30 years. Using comprehensive analysis of proteomic studies, our in-house proteomic database, and underlying pathogenic genetic studies of OS, cardiac glycosides and pramlintide were identified as potential targeted therapeutic agents in OS. Cytotoxic assay and flow cytometry were performed to test in vitro efficacy against OS cells. OS cell lines including Saos-2 responded to digoxin at the concentrations of less than 1 µM. MNNG-HOS and MG-63 responded to digoxin at the concentrations of less than 0.1 µM. 52% of primary OS (11/21) responded at the concentrations of less than 1 µM. 25% (5/21) responded at the concentrations of less than 0.1 µM. For the pramlintide, mRNA expression levels of the CALCR and RAMP3, which are pramlintide receptors, were measured by real-time PCR (qRT-PCR) in four known p53 status cancer cell lines including NCI-H1299, U-2 OS, Saos-2, and MMNG/HOS and 27 primary osteosarcoma lines. They were co-cultured with pramlintide acetate at various concentrations ranging from 0.001-100 µg/ml for 24, 48, and 72 hours. qRT-PCR showed that NCI-H1299, U-2 OS, and a primary osteosarcoma cell line expressed CALCR and RAMP3 while Saos-2, MNNG/HOS, and other 26 primary osteosarcoma cell cultures did not express or expressed at very low levels. Whole exome sequencing (WES) revealed a p53 somatic missense mutation in one primary osteosarcoma cell culture expressing CALCR and RAMP3. At the concentration of 0.001-10 µg/ml, pramlintide acetate could not induce cancer cell apoptosis or cell death including osteosarcoma cells regardless of p53 status or CALCR and RAMP3 expressions. At the concentration of 100 µg/ml, more cells were found to die in the pramlintide acetate treatment group compared to the non-treatment group. However, this was resulted from acidity of the acetate group, not pramlintide per se. In conclusion, this is the first study that demonstrates an in vitro antiosteosarcoma effect of digoxin. These findings should prompt further in vivo and clinical studies to verify its effectiveness.
DOI: 10.17188/1732136
title: Materials Data on K2LiTlBr6 by Materials Project

description: K2LiTlBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent LiBr6 octahedra, and faces with four equivalent TlBr6 octahedra. All K–Br bond lengths are 3.89 Å. Li1+ is bonded to six equivalent Br1- atoms to form LiBr6 octahedra that share corners with six equivalent TlBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Br bond lengths are 2.73 Å. Tl3+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent LiBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 2.78 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one Tl3+ atom.
DOI: 10.14457/cu.the.2016.463
title: Genetic variation of glycoprotein d within herpes simplex virus isolated from clinical specimens

description: Herpes simplex virus (HSV) distributing worldwide, belongs to family Herpesviridae, subfamily alphaherpesvirinae. There are 2 serotypes, i.e., HSV-1 and HSV-2. The initial infection starts by using glycoprotein D (gD) contact to host cell surface receptors resulting to viral entry by membrane fusion. Moreover, gD can induce the production of neutralizing antibody. Therefore, mutations of HSV gD are critical for viral growth in cells which might affect cell pathology and pathogenesis of diseases. The objective of this study is to investigate the variations of HSV gD. One hundred samples were selected by using systemic sampling from 256 clinical specimens during the year of 1999 – 2010. Only 70 samples were successfully isolated. They were typed by Real time PCR revealing 37 were HSV-1 and 33 were HSV-2. After that, gD gene was amplified and DNA sequencing. The results were compared to the sequences previously reported in GenBank. From nucleotide sequencing data, HSV-1 gD of 13 patterns were different from HSV-1(KOS) reference strain. While HSV-2 gD showed 9 patterns differed from HSV-2 (HG52) reference strain. Mutation was the major mechanism of variation. Only 6 positions had non-synonymous amino acid changes. After phylogenetic tree was constructed, the variations of HSV-1 gD and HSV-2 gD were distinctively separated. However, intratypic variation was very low. In conclusion, HSV gD from clinical specimens had low variations. HSV-1 gD had more divergent than HSV-2. The major cause of variation was synonymous point mutation. Therefore, HSV gD is a good candidate for vaccine development.
DOI: 10.17188/1732137
title: Materials Data on NdNiO3 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: 10.14457/cu.the.2016.464
title: AN INVESTIGATION OF THE MEDIATORS BETWEEN VOCABULARY SIZE AND READING COMPREHENSION OF FIRST-YEAR UNDERGRADUATE STUDENTS

description: Vocabulary size and reading comprehension are proved to be related. The relationship may get stronger if reading comprehension is mediated by related variables. This study, therefore, aimed to generate three objectives including: 1) to identify the vocabulary size of first-year undergraduate students, 2) to investigate the relationship between vocabulary size and reading comprehension, and 3) to examine the mediators of vocabulary size and reading comprehension. The mediators in this study included vocabulary depth, reading strategies, and vocabulary learning strategies. The participants were 484 first-year undergraduate students from public and private universities. The research instruments were Vocabulary Size Test, Depth of Vocabulary Knowledge Test, Reading Comprehension Test, Reading Strategies Questionnaire, Vocabulary Learning Strategies Questionnaire, and semi-structured interview. The SEM analysis estimated the data by using CFA technique. The result revealed that first-year undergraduate students had around 4,200 word families. It was also found that the correlation coefficient between vocabulary size and reading comprehension was weak, but significant. Moreover, vocabulary depth, reading strategies, and vocabulary learning strategies were proved to be mediators of vocabulary size and reading comprehension. Implications of vocabulary pedagogy and future research are also discussed.
DOI: 10.17188/1732139
title: Materials Data on Am2SO2 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: 10.14457/cu.the.2016.465
title: LOCALIZATION OF CORPORATE SOCIAL RESPONSIBILITY STRATEGY OF KOREAN MULTINATIONAL CORPORATIONS IN SOUTHEAST ASIA: A COMPARATIVE STUDY OF THAILAND AND VIETNAM

description: This study aims to explore how the local environment influences Corporate Social Responsibility (CSR) of Korean Multinational Corporations (Korean MNCs) operating in Southeast Asia. In-depth interviews were conducted with executives of five Korean MNCs operating in Thailand and Vietnam. All interviewed companies had the character of weak CSR structure and unsystematic CSR approach in common. Within these organizational limitations, different domestic environment between the two countries affected their CSR development. The interviewed companies in Vietnam performed strategic CSR, which responded to the social issues and the requirement of host country, under the greater pressure on CSR from the Vietnamese society. There were various external forces in CSR decision-making channel, and they recognized the local government as the object of solidarity and cooperation in CSR. In Thailand, the interviewed companies accepted CSR as a part of the culture, which is on voluntary basis and donation-centered, or did not receive any influence from the domestic environment. As a result, their CSR performance have been mostly ‘responsive CSR’, which means one-off event or short-term philanthropy. Consequently, the result revealed that the different domestic factors, such as the government’s policy, social pressure and culture regarding CSR, largely affect CSR strategy and activities of Korean MNCs in Thailand and Vietnam.
DOI: 10.17188/1732140
title: Materials Data on YO2F by Materials Project

description: YO2F crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to seven O and two F atoms. There are a spread of Y–O bond distances ranging from 2.30–2.46 Å. There are one shorter (2.30 Å) and one longer (2.37 Å) Y–F bond lengths. In the second Y site, Y is bonded in a 9-coordinate geometry to five O and four F atoms. There are a spread of Y–O bond distances ranging from 2.25–2.56 Å. All Y–F bond lengths are 2.37 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Y atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Y atoms. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Y atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to three Y atoms. There are two inequivalent F sites. In the first F site, F is bonded in a trigonal non-coplanar geometry to three Y atoms. In the second F site, F is bonded in a trigonal non-coplanar geometry to three Y atoms.
DOI: 10.17188/1732141
title: Materials Data on B5Te2H15(WC5)2 by Materials Project

description: B3H13Te2(WC5)2(BH)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight boranediylradical molecules and four B3H13Te2(WC5)2 clusters. In each B3H13Te2(WC5)2 cluster, W6+ is bonded in a 7-coordinate geometry to five C+3.80- and two Te2- atoms. There are a spread of W–C bond distances ranging from 2.31–2.38 Å. There are one shorter (2.81 Å) and one longer (2.82 Å) W–Te bond lengths. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a distorted single-bond geometry to one H1+ and one Te2- atom. The B–H bond length is 1.20 Å. The B–Te bond length is 2.17 Å. In the second B3+ site, B3+ is bonded in a single-bond geometry to one H1+ and one Te2- atom. The B–H bond length is 1.20 Å. The B–Te bond length is 2.29 Å. There are five inequivalent C+3.80- sites. In the first C+3.80- site, C+3.80- is bonded in a distorted single-bond geometry to one W6+ and one H1+ atom. The C–H bond length is 1.08 Å. In the second C+3.80- site, C+3.80- is bonded in a distorted single-bond geometry to one W6+ and one H1+ atom. The C–H bond length is 1.08 Å. In the third C+3.80- site, C+3.80- is bonded in a distorted single-bond geometry to one W6+ and one H1+ atom. The C–H bond length is 1.08 Å. In the fourth C+3.80- site, C+3.80- is bonded in a distorted single-bond geometry to one W6+ and one H1+ atom. The C–H bond length is 1.08 Å. In the fifth C+3.80- site, C+3.80- is bonded in a distorted single-bond geometry to one W6+ and one H1+ atom. The C–H bond length is 1.08 Å. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.80- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.80- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.80- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.80- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.80- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent W6+ and two equivalent B3+ atoms. In the second Te2- site, Te2- is bonded in a 1-coordinate geometry to two equivalent W6+ and one B3+ atom.
DOI: 10.14457/cu.the.2016.466
title: Contribution of ammonia oxidizing microorganisms and effect of paranitrophenol onammonia oxidation of nitrifying sludge

description: The oxidation of ammonia to nitrite is the initial and rate-limiting step for most biological nitrogen removal approaches in wastewater treatment. However, the contribution of ammonia-oxidizing archaea (AOA) and ammonia-oxidizing bacteria (AOB) to ammonia oxidation in wastewater treatment plants (WWTPs) has yet been clearly clarified. In this study, two laboratory nitrifying reactors (NRI and NRII) were seeded and operated under different conditions; therefore, different proportions of AOA and AOB arose in both reactors. AOA amoA genes outnumbered AOB amoA genes in reactor NRI, while only AOB amoA genes were the only detectable ammonia oxidizer in reactor NRII. The AOA amoA gene sequences from reactor NRI belonged to the Nitrososhaera sister cluster within the Group 1.1b Thaumacheota. Allythiourea (ATU) and 2-Phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl 3-oxide (PTIO), which were shown in previous studies to specifically inhibit AOB and AOA, respectively, were applied individually and as a mixture to observe the ammonia-oxidizing activity of AOA and AOB in NRI and NRII sludge. The results demonstrated that AOA and AOB jointly oxidized ammonia in NRI sludge, while AOB played the main role in ammonia oxidation in NRII sludge. DNA stable isotope probing (DNA-SIP) with 13C-HCO3- was performed on NRI sludge. The 13C was incorporated into AOA and AOB amoA genes implying that both microorganisms may perform autotrophy during ammonia oxidation. DNA-SIP also showed that AOA can incorporate the 13C into the amoA genes while AOB cannot grow when 80 µM ATU was added. The results confirmed that ATU of 80 µM can be applied to clarify the ammonia-oxidizing activity of AOA in NRI sludge. ATU was applied to sludge from 5 full-scale WWTPs where the numbers of AOA and AOB amoA genes in the sludge varied. The results demonstrated that AOB played the main role in ammonia oxidation in all sludge. In the sludge that AOA outnumbered AOB, AOA involved around 20% of ammonia oxidation under presence of ATU at 80 µM. Inhibitory effect of paranitrophenol (PNP) was studied with sludge from reactor NRII. PNP at concentrations of ≥ 50 mgL-1 showed complete inhibition of ammonia oxidation. Analyses of bacterial cell viability and active nitrifying microorganisms using fluorescence in situ hybridization (FISH) technique indicated that PNP at concentrations of 10 and 200 mgL-1 tended to reduce bacterial cells and active AOB. The findings of this study can further lead to an improvement of wastewater treatment design and operation.
DOI: 10.17188/1732247
title: Materials Data on Nb2SiAs2 by Materials Project

description: Nb2SiAs2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nb5+ is bonded in a linear geometry to one Si4- and one As3- atom. The Nb–Si bond length is 2.57 Å. The Nb–As bond length is 2.77 Å. Si4- is bonded to two equivalent Nb5+ and four equivalent Si4- atoms to form distorted SiNb2Si4 octahedra that share corners with two equivalent AsNbAs5 octahedra, corners with four equivalent SiNb2Si4 octahedra, and edges with four equivalent SiNb2Si4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Si–Si bond lengths are 2.70 Å. As3- is bonded to one Nb5+ and five equivalent As3- atoms to form distorted AsNbAs5 octahedra that share a cornercorner with one SiNb2Si4 octahedra, corners with four equivalent AsNbAs5 octahedra, and edges with eight equivalent AsNbAs5 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.70 Å) and one longer (2.82 Å) As–As bond lengths.