cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1720662
title: Materials Data on Lu(BRh)4 by Materials Project

description: Lu(RhB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are four shorter (2.94 Å) and eight longer (3.17 Å) Lu–Rh bond lengths. There are eight shorter (3.02 Å) and four longer (3.14 Å) Lu–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Lu and five equivalent B atoms. There are four shorter (2.21 Å) and one longer (2.24 Å) Rh–B bond lengths. B is bonded in a 6-coordinate geometry to three equivalent Lu, five equivalent Rh, and one B atom. The B–B bond length is 1.80 Å.
DOI: 10.14457/cu.the.2016.263
title: EFFECTS OF DNA-MLV PRIME BOOST IMMUNIZATION ON MODULATION OF PRRSV-SPECIFIC IMMUNE RESPONSES IN HP-PRRSV CHALLENGED PIGS

description: Porcine reproductive and respiratory syndrome virus (PRRSV) has been recognized as the important swine pathogen that threaten swine industry globally. The quasispesies character of PRRSV causes genetic variation, leading to the emergence of the new variant type 2 PRRSV, known as highly pathogenic PRRSV (HP-PRRSV). HP-PRRSV first emerged in China in 2006 and then spread to circulate in the Southeast Asia region. Currently, commercially available modified live PRRS vaccines (MLV) are not able to provide complete protection against the HP-PRRSV, and have been reported to induce negative immunomodulatory effects in vaccinated pigs. Interestingly, a novel DNA vaccine was developed and successfully used to improve PRRSV-specific immune responses following MLV vaccination. To investigate the efficacy of a heterologous DNA-MLV prime-boost immunization against the HP-PRRSV infection, an experimental vaccinated-challenged study was conducted. Two-week-old, PRRSV-seronegative, crossbred pigs (5-8 pigs/group) were allocated into 5 groups. At day-14 (D-14), the treatment group (DNA-MLV) was immunized with a DNA vaccine encoding PRRSV-truncated nucleocapsid protein (pORF7t), followed by a commercial modified live, type 2 PRRS vaccine (MLV) at D0. The other groups included the group that received PBS at D-14 followed by MLV at D0 (MLV), pORF7t at D-14 (DNA), PBS at D0 (PBS) and the negative control group. At D42, all groups, except the negative control group, were challenged with HP-PRRSV (strain 10PL1). The results demonstrated that pigs that received MLV, regardless of the DNA priming, exhibited less clinical signs and faster viral clearance. Following HP-PRRSV challenge, the DNA-MLV group exhibited improved PRRSV-specific immunity, as observed by increased neutralizing antibody titers and PRRSV-specific IFN-g production, and reduced IL-10 and PRRSV-specific Treg productions. However, neither the prime-boost immunization nor the MLV was able to induce complete clinical protection against HP-PRRSV infection. In conclusion, improved immunological responses, but not complete clinical protection, were achieved by DNA-MLV prime-boost immunization. This study highlights the potential use of heterologous prime-boost vaccination regimen, where DNA can be incorporated with other vaccine candidates, for improving anti-PRRSV immunity that may eventually lead induction of complete PRRSV protection.
DOI: 10.17188/1720664
title: Materials Data on GaAu(I4N)2 by Materials Project

description: AuI4GaI4N2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four AuI4 clusters, and four GaI4 clusters. In each AuI4 cluster, Au3+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.66 Å) and two longer (2.67 Å) Au–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In each GaI4 cluster, Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.58 Å) and two longer (2.60 Å) Ga–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom.
DOI: 10.14457/cu.the.2016.264
title: Water balance and safe yield in the quaternary aquifer of phrae basin

description: Phrae province has experienced a drought problem, especially in dry season. The aims of this research were to evaluate the spatio-temporal distribution of groundwater recharge into the Quaternary unconsolidated sedimentary aquifers as well as to assess groundwater balance and suitable safe yield of the aquifers. The research was divided into two main parts as follows: in the first part, surface water modeling, namely, SWAT. The results showed that runoff after land use changes from 2003 to 2009 appeared to be significantly increased in all sub-watersheds in a range from 4.94% (station Y.38) to 77.64% (station Y.24). The groundwater recharge of each sub-watershed was in a range from 14.62 mm/yr to 433.86 mm/yr. Interestingly, not only the impact of land use causes the increase of runoff hydrograph, but it also results in gradually decreasing in the percentage of groundwater recharge (as compared to total annual rainfall) of each sub-watershed, ranging from 0.26% (station Y.6) to 5.12% (station Y.36).In the second part, after evaluating the amounts of monthly groundwater recharge from the previous part by SWAT model, the groundwater model, so-called, visual MODFLOW. We found that groundwater balance in the aquifers was approx. +665.69 m3/yr and the suitable safe yield in the aquifers should not increase the pumping rate exceeding over 50%, as compared to the base case. The results of this research will benefit for implementing the sustainable water management plan, in terms of the integration of surface water and groundwater resources and can be further used as a database for government agency in the future.
DOI: 10.17188/1720666
title: Materials Data on K2InSbBr6 by Materials Project

description: (K)2InSbBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one InSbBr6 framework. In the InSbBr6 framework, In1+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent SbBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 3.04 Å. Sb3+ is bonded to six equivalent Br1- atoms to form SbBr6 octahedra that share corners with six equivalent InBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Br bond lengths are 2.82 Å. Br1- is bonded in a linear geometry to one In1+ and one Sb3+ atom.
DOI: 10.14457/cu.the.2016.265
title: Identification of nitrate sources using hydrogeochemical and stable isotope in the aquifer, Amphoe Kaeng Khoi, Changwat Saraburi

description: A long time agricultural activities result in the NO3- contamination in groundwater in Thailand. The objectives of this research were: to investigate hydrogeochemical and hydrogeological characteristics, to assess nitrate concentration in groundwater and finally to further use hydrogeochemical properties and stable isotopes for identifying the sources of nitrate, including their processes affecting nitrate contamination in groundwater.Total 44 groundwater samples were collected from Amphoe Kaeng Khoi, Saraburi in November, 2014 (rainy season) and May, 2015 (summer season) to analyze Fe, Ca2+, Mg2+, Na+, K+, NH4+, Cl-, F-, Br-, NO2-, NO3-, SO42-, PO43-, alkalinity, and 18O and 2H. The mainly groundwater flow direction is from east to west, which conforms to the topography. Average groundwater level in the summer season was lower than that in the rainy season average 0.64m. The recharge area is located in the eastern part of the study area. Groundwater type mainly is Ca-Na-HCO3. NO3- concentration is relatively higher in the summer season due to temperature effect. The highest NO3- concentration was found at station No. 2 in both seasons. The sources of NO3- are from mineral in soils and fertilizer. According to the stable isotope analysis, 11 stations deviate along an evaporation trend (D = 4.248518O – 15.935). Dilution process and denitrification plays an important role in nitrate attenuation. On the other hand, the nitrification process is a key process affecting the increase of NO3- concentration. Thus, the hydrogeochemical and stable isotope analysis are an essential tool for understanding the sources and processes, influencing on nitrate concentration.
DOI: 10.14457/cu.the.2016.266
title: Electrochemical properties of layered perovskite (LnxSr4-x MyFe6yO13+δ; Ln = La, Pr, Sm AND M = Co, Ni) as cathodes forintermediate - temperature solid oxide fuel cells

description: Layered perovskites, Sr4Fe6O13, LaxSr4-xFe6O13, PrxSr4-xFe6O13, SmxSr4-xFe6O13, Sr4CoxFe6-xO13, and Sr4NixFe6-xO13 have been investigated as cathode materials for intermediate – temperature solid oxide fuel cell (IT-SOFC). All layered oxides were prepared through conventional solid – state reaction method with the respective calcination and sintering temperatures of 850oC for 16 hours and 1185oC for 5 hours and they exhibited a gradual phase transformation from the pure layered phase to the perovskite phase with increasing the dopant content. In addition, the incorporation of Pr, Sm, and Co led to the increasing of electrical conductivity in PSFx, SSFx, and SFCox oxides whereas doping of La and Ni resulted in the transition in electrical conduction from semiconducting to metallic – like behaviours for LSFx and SFNix oxides. XPS analyses and thermogravimetric analyses revealed the different charge compensation mechanisms in lanthanide – and transition metal – containing oxides. The reduction in polarisation resistances with the increased dopant concentration was also observed, in general, for all oxides. The increase in the electrical conductivity and the decrease of the polarisation resistance of the synthesised oxides with increasing the dopant concentration have stemmed from the synergistic effect on the presence of both perovskite and layered phases that provided fast oxide ion diffusion channels and acted as a continuous network for electron transport.
DOI: 10.17188/1720668
title: Materials Data on YAg3 by Materials Project

description: YAg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded to twelve Ag atoms to form YAg12 cuboctahedra that share corners with four equivalent YAg12 cuboctahedra, corners with twenty-four AgY4Ag4 cuboctahedra, edges with eight equivalent YAg12 cuboctahedra, edges with eight equivalent AgY4Ag4 cuboctahedra, faces with four equivalent YAg12 cuboctahedra, and faces with six equivalent AgY4Ag8 cuboctahedra. There are eight shorter (3.07 Å) and four longer (3.14 Å) Y–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Y and four equivalent Ag atoms to form distorted AgY4Ag4 cuboctahedra that share corners with eight equivalent YAg12 cuboctahedra, corners with sixteen AgY4Ag4 cuboctahedra, edges with four equivalent YAg12 cuboctahedra, edges with sixteen AgY4Ag4 cuboctahedra, and faces with six equivalent AgY4Ag4 cuboctahedra. All Ag–Ag bond lengths are 3.07 Å. In the second Ag site, Ag is bonded to four equivalent Y and eight equivalent Ag atoms to form distorted AgY4Ag8 cuboctahedra that share corners with eight equivalent YAg12 cuboctahedra, corners with twenty AgY4Ag4 cuboctahedra, edges with sixteen AgY4Ag4 cuboctahedra, faces with four equivalent AgY4Ag8 cuboctahedra, and faces with six equivalent YAg12 cuboctahedra.
DOI: 10.14457/cu.the.2016.267
title: Taxonomy of terrestrial pulmonate snails in Laos

description: Taxonomy of Laos’ s terrestrial pulmonate snails has been carried out from 2013 to 2014 As from the previous records, 76 recognized species have been reported and published. There are 315 localities from 16 provinces dividing from three main geographic areas: the north montane forest, the central limestone karsts and the south deciduous forest. All those three areas have been intensively surveyed in the present study. All specimens were photographed prior to preserve in 70% ethanol. Shell morphology, soft parts anatomy especially the reproductive organs were used for identification. One hundred and twelve species that belong to 50 genera from 17 families were identified and updated. These included with the 76 previous recorded species, three new recorded families with ten genera were classified and incorporated in the total faunal record. Thirty six species were reported in Laos for the first time. Ten newly described species from four families (Camaenidae, Diapheridae, Streptaxidae, and Vertiginidae) were published. There are four snail types as classified from habitat and some distinct behaviour: 1) Ground dwellers 2) Tree dwellers 3) Carnivores and 4) Microsnails. The ground dweller Ariophantidae is quite dominant family which occurs in three regions. Cryptozona siamensis and Hemiplecta distincta are the best representatives. The microsnails family Vertiginidae are unique living on limestone habitats, were found mainly in the north and central of Laos. The fourteen species of tree snails Amphidromus were found also in three regions but slightly different in species composition. The two newly described, Amphidromus (Amphidromus) syndromoideus and A. (syndromus) xiengkhaungensis are from the north and central areas. The unique carnivorous Streptaxidae and Diapheridae perform high endemism. The total 10 species and the four newly described species, Perrottetia unidentata, P. megadentata, Indoartemon diodonta and Sinoennea euryomphala were collected mainly from limestone habitats of the north and the central areas. The total 112 species were very low compared to the large areas and the records from the nearby countries. The more critical surveys especially in rainy season might answer this question.The phylogenetic relationship using cladistics analysis of 29 morphological characters in 8 species of 5 genera of the Ariophantidae performs the great congruence with morphological identification and exhibited monophyletic relationship. The genera Macrochlamys and Sarika showed a very close relationship by 69% bootstrap support. As from the analysis, the genus Sarika seemed to belong to the subfamily Macrochlamydinae.
DOI: 10.17188/1720669
title: Materials Data on CeAl4 by Materials Project

description: CeAl4 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to sixteen Al atoms. There are a spread of Ce–Al bond distances ranging from 3.24–3.66 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to sixteen Al atoms. There are a spread of Ce–Al bond distances ranging from 3.26–3.62 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four equivalent Ce and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.51–2.67 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to four equivalent Ce and five Al atoms. There are two shorter (2.64 Å) and two longer (2.66 Å) Al–Al bond lengths. In the third Al site, Al is bonded to four Ce and eight Al atoms to form a mixture of distorted corner, edge, and face-sharing AlCe4Al8 cuboctahedra. There are two shorter (2.66 Å) and four longer (3.05 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded to four Ce and eight Al atoms to form a mixture of distorted corner, edge, and face-sharing AlCe4Al8 cuboctahedra. There are two shorter (2.67 Å) and four longer (2.98 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded to four Ce and eight Al atoms to form a mixture of distorted corner, edge, and face-sharing AlCe4Al8 cuboctahedra. There are three shorter (2.66 Å) and two longer (3.01 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 9-coordinate geometry to four Ce and five Al atoms. There are one shorter (2.52 Å) and two longer (2.65 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 9-coordinate geometry to four Ce and five Al atoms. The Al–Al bond length is 2.66 Å. In the eighth Al site, Al is bonded to four Ce and eight Al atoms to form a mixture of distorted corner, edge, and face-sharing AlCe4Al8 cuboctahedra.
DOI: 10.14457/cu.the.2016.268
title: Diversity of pteridophytes in Phu Kradueng National Park, Loei province

description: Phu Kradueng National Park, Loei province, is the place that has richness species ofpteridophytes which 24 families, 62 genera and 147 species have been reported inFlora of Thailand since 1989. This study aimed to investigate the diversity ofpteridophytes in Phu Kradueng National Park from December 2014 to February 2016.We collected samples along the nature trails at 260 - 1,316 meters above sea level (mASL).A total of 288 samples were identified into 26 families, 60 genera and 138 species.Among these, 2 families, 4 genera and 16 species were lycophytes and 24 families,56 genera and 122 species were monilophytes. The most common family was Polypodiaceaewith 25 species. Pteridaceae was the second most common family with 18 species.Among these, three species, e.g., Asplenium siamense Tagawa & K. Iwats., Dryopterisrheophila Mitsuta ex Darnaedi, Elaphoglossum dumrongii Tagawa & K. Iwats. and Selligueatrisecta (Baker) Fraser-Jenk. were endemic to Thailand. Moreover, Selaginella sp.,Asplenium sp. and Oleandra sp. were founded as new records to Thailand and may benew species to science.
DOI: 10.17188/1720670
title: Materials Data on Na3FeO3 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: 10.17188/1720671
title: Materials Data on CeRe2SiC by Materials Project

description: CeRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.07 Å) and two longer (3.14 Å) Ce–Si bond lengths. All Ce–C bond lengths are 2.75 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.50 Å) and two longer (2.52 Å) Re–Si bond lengths. The Re–C bond length is 1.96 Å. Si is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Re atoms. C is bonded to four equivalent Ce and two equivalent Re atoms to form a mixture of edge and corner-sharing CCe4Re2 octahedra. The corner-sharing octahedral tilt angles are 21°.
DOI: 10.14457/cu.the.2016.269
title: Novel fluorescent sensors based on 8-aminoquinoline receptor

description: Two series of amidoquinoline-based fluorescent sensors are designed and synthesized for the selective detection of glucosamine and zinc ion in aqueous media. For the glucosamine sensors, three amidoquinoline-naphthalimide dyads are designed and synthesized in 67–73% overall yields in 3 steps from commercially available starting materials. Compounds with unsubstituted and nitro-naphthalimide show excellent selective ﬂuorescent responses towards glucosamine with the enhancement of ﬂuorescence quantum yields by 14 folds. The determination of HOMO-LUMO levels by linear sweep voltammetry suggests that the sensing mechanism likely involves the inhibition of photo-induced electron transfer (PET) between the aminoquinoline and naphthalimide moieties by glucosamine. The association constants of 1.55x104 and 1.45x104 M-1, along with the glucosamine detection limits of 1.06 and 0.29 µM are determined for unsubstituted and nitro-naphthalimide, respectively. The application of the nitro-naphthalimide derivative as a ﬂuorescent probe for real-time detection of cellular glucosamine at micromolar level in living Caco-2 cells is also demonstrated.For the zinc ion sensors, four derivatives of 8-amidoquinolines have been successfully synthesized by extension of the p-conjugated system on the quinoline ring and incorporation of either the salicylaldimine or its reduced amino form. All four compounds show selective fluorescence enhancement by zinc (II) ion, attributing to chelation-enhanced fluorescence (CHEF) effects, in which the deprotonation of the amido –NH and phenolic -OH causes the internal charge transfer (ICT) process and results in the bathochromic shift of the emission spectra. The fluorescent signals of the four compound are observed at different wavelengths in the range of 320 to 390 nm depending on the p-conjugated systems. The sensing mechanism is verified by 1H-NMR titration, Mass Spectrometry, and the X-ray crystal structure of the sensor with salicylaldimine and unsubstituted aminoquinoline, which suggests a 1:1 binding stoichiometry between this fluorophore and zinc ion. The detection limits of 0.024 to 0.431 µM and the association constants ranging from 7.0x 103 to 1.2x 104 M-1 are estimated for the four sensors.
DOI: 10.17188/1720672
title: Materials Data on Ti2CoOs by Materials Project

description: Ti2OsCo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ti2OsCo ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to one Os and one Co atom. The Ti–Os bond length is 2.22 Å. The Ti–Co bond length is 2.19 Å. Os is bonded in a linear geometry to two equivalent Ti atoms. Co is bonded in a linear geometry to two equivalent Ti atoms.
DOI: 10.17188/1720674
title: Materials Data on GdGa3Ru by Materials Project

description: GdRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Gd–Ru bond lengths are 3.23 Å. There are eight shorter (2.98 Å) and two longer (3.23 Å) Gd–Ga bond lengths. Ru is bonded to four equivalent Gd and eight equivalent Ga atoms to form distorted RuGd4Ga8 cuboctahedra that share corners with four equivalent RuGd4Ga8 cuboctahedra, edges with four equivalent GaGd6 octahedra, and faces with eight equivalent RuGd4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.69 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Gd atoms to form GaGd6 octahedra that share corners with six equivalent GaGd6 octahedra and edges with twelve equivalent RuGd4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Gd, three equivalent Ru, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.73 Å.
DOI: 10.17188/1720676
title: Materials Data on ScIn2 by Materials Project

description: ScIn2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to ten In atoms. There are a spread of Sc–In bond distances ranging from 3.09–3.22 Å. There are three inequivalent In sites. In the first In site, In is bonded to six equivalent Sc and six In atoms to form a mixture of distorted edge, face, and corner-sharing InSc6In6 cuboctahedra. There are a spread of In–In bond distances ranging from 3.04–3.30 Å. In the second In site, In is bonded to four equivalent Sc and four equivalent In atoms to form a mixture of distorted edge and corner-sharing InSc4In4 cuboctahedra. In the third In site, In is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent In atoms.