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At least 19 records

Materials Data on AlBi by Materials Project

AlBi is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Al is bonded to four equivalent Bi atoms to form corner-sharing AlBi4 tetrahedra. All Al–Bi bond lengths are 2.79 Å. Bi is bonded to four equivalent Al atoms to form corner-sharing BiAl4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on AlBiS by Materials Project

AlBiS crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Al is bonded in a distorted square co-planar geometry to two equivalent Bi and two equivalent S atoms. Both Al–Bi bond lengths are 2.90 Å. Both Al–S bond lengths are 2.30 Å. Bi is bonded to two equivalent Al and two equivalent S atoms to form a mixture of distorted edge and corner-sharing BiAl2S2 tetrahedra. Both Bi–S bond lengths are 3.09 Å. S is bonded in a 4-coordinate geometry to two equivalent Al and two equivalent Bi atoms.

36 MATERIALS SCIENCE↗

The Potential for Midtreatment Albumin-Bilirubin (ALBI) Score to Individualize Liver Stereotactic Body Radiation Therapy

Our individualized functional response adaptive approach to liver stereotactic body radiation therapy (SBRT) with assessment of indocyanine green (ICG) retention at baseline and midtreatment to detect subclinical changes in liver function, permitting dose adjustment, has decreased toxicity while preserving efficacy. We hypothesized that assessment of the albumin-bilirubin (ALBI) score at baseline and midtreatment would allow for more practical identification of patients at risk for treatment-related toxicity (TRT).

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Materials Data on AlBi(WO4)2 by Materials Project

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

36 MATERIALS SCIENCE↗

Materials Data on AlBi(WO4)2 (SG:13) by Materials Project

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

36 MATERIALS SCIENCE↗

Prognosticating Survival in Hepatocellular Carcinoma with Elevated Baseline Alpha-fetoprotein Treated with Radioembolization Using a Novel Laboratory Scoring System: Initial Development and Validation

Aims: To investigate laboratory parameters as predictors of overall survival (OS) for hepatocellular carcinoma (HCC) treated with radioembolization and develop/validate a scoring system. Methods: With IRB approval, we included all patients with baseline alpha-fetoprotein (AFP) > 100 ng/dL from our prospectively acquired HCC radioembolization database. Neutrophil–lymphocyte ratio, albumin–bilirubin (ALBI), and AFP were measured at baseline and at 1-, 3-, and 6-month post-radioembolization Landmarks. OS was assessed from these Landmarks. Univariate/multivariate analyses were performed to evaluate OS predictability of these parameters. Baseline Imaging, Laboratory, and Combination scoring systems were developed. Developing/validating groups were created to investigate/validate the score’s OS predictability. Time-dependent receiver operating characteristics (ROC) were evaluated. Patients were stratified into groups I, II, and III by using 25th and 75th percentile cutoffs according to change in Laboratory Score from baseline. Results: 345/401 (86%), 238/401 (59%), and 167/401 (42%) patients had laboratory parameters available at the 1-, 3-, and 6-month Landmarks, respectively. ALBI and AFP were significant OS prognosticators at all Landmarks. The Laboratory Score [ALBI + (0.3 × LnAFP)] was developed/internally validated to predict OS from these Landmarks. Areas under the curve of time-dependent ROCs of the Baseline Imaging vs. Laboratory scores in predicting patient OS post 3 and 6 months Landmarks were 0.56 versus 0.82 and 0.57 versus 0.77, respectively. OS differences in groups I, II, and III according to change in Laboratory Score from baseline were significant (p < 0.001). Conclusions: Post-radioembolization AFP and ALBI scores were significant OS prognosticators. A decrease in post-therapeutic Laboratory Score, which combines AFP and ALBI, correlates with an improved OS.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Chemically induced large-gap quantum anomalous Hall insulator states in III-Bi honeycombs

The search for novel materials with new functionalities and applications potential is continuing to intensify. Quantum anomalous Hall (QAH) effect was recently realized in magnetic topological insulators (TIs) but only at extremely low temperatures. Here, based on our first-principles electronic structure calculations, we predict that chemically functionalized III-Bi honeycombs can support large-gap QAH insulating phases. Specifically, we show that functionalized AlBi and TlBi films harbor QAH insulator phases. GaBi and InBi are identified as semimetals with non-zero Chern number. Remarkably, TlBi exhibits a robust QAH phase with a band gap as large as 466 meV in a buckled honeycomb structure functionalized on one side. Furthermore, the electronic spectrum of a functionalized TlBi nanoribbon with zigzag edge is shown to possess only one chiral edge band crossing the Fermi level within the band gap. Finally, our results suggest that III-Bi honeycombs would provide a new platform for developing potential spintronics applications based on the QAH effect.

36 MATERIALS SCIENCE↗

Predicted Growth of Two-Dimensional Topological Insulator Thin Films of III-V Compounds on Si(111) Substrate

We have carried out systematic first-principles electronic structure computations of growth of ultrathin films of compounds of group III (B, Al, In, Ga, and Tl) with group V (N, P, As, Sb, and Bi) elements on Si(111) substrate, including effects of hydrogenation. Two bilayers (BLs) of AlBi, InBi, GaBi, TlAs, and TlSb are found to support a topological phase over a wide range of strains, in addition to BBi, TlN, and TlBi which can be driven into the nontrivial phase via strain. A large band gap of 134 meV is identified in hydrogenated 2 BL film of InBi. One and two BL films of GaBi and 2 BL films of InBi and TlAs on Si(111) surface possess nontrivial phases with a band gap as large as 121 meV in the case of 2 BL film of GaBi. Persistence of the nontrivial phase upon hydrogenations in the III-V thin films suggests that these films are suitable for growing on various substrates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

CO2 response (ACi) gas exchange, calculated Vcmax & Jmax parameters, Feb2016-May2016, PA-SLZ, PA-PNM: Panama

This data package contains CO2 response (ACi) gas exchange and fitted Vcmax and Jmax parameters measured on sunlit canopy trees within the NGEE Tropics sites Parque Natural Metropolitano (PA-PNM) and Bosque Protector San Lorenzo (PA-SLZ) in Panama. Measurements were taken on a monthly basis from February to May of 2016. This data was collected as part of the 2016 El Niño-Southern Oscillation (ENSO) campaign. Included in this data package are two Excel files with data (2016ENSO_Panama_ACi, 2016ENSO_Panama_Fitted_Vcmax_Jmax) and three Excel files with associated metadata. Also included is a Word document (Metadata_description_2016_ENSO_Panama) with details such as data collection methods, equipment used, and site information and a pdf (NGEE_Tropics_ENSO_Aci_Protocol_V2). See related datasets for further sample details, leaf water potential, LMA, leaf spectra, diurnal gas exchange and leaf chemistry. VERSION 2 update. The identification of a species from the PNM site has been corrected as follows: the identification of the tree initially identified as Pseudosamanea guachapele (ALBIED) has been revised to Albizia adinocephala (ALBIAD). The updated data package includes revised data, metadata and protocol documents updated to reflect this change.

54 ENVIRONMENTAL SCIENCES↗

Leaf sample detail, Feb2016-May2016, PA-SLZ, PA-PNM, PA-BCI: Panama

This data package contains details of the date, location, species and photographs of leaf samples collected on a monthly basis from Feb to May 2016 from Parque Natural Metropolitano (PA-PNM), Barro Colorado Island (PA-BCI) and Bosque Protector San Lorenzo (PA-SLZ) in Panama. Data from BCI only available for March. This data was collected as part of the 2016 El Niño-Southern Oscillation (ENSO) campaign. Included in this data package are an Excel file with data (2016ENSO_Panama_LeafSamples) and two Excel files with associated metadata. Sample photos are included in five zip files, organized by month and site. Also included is a Word document (Metadata_description_2016_ENSO_Panama) with details such as data collection methods, equipment used, and site information. Data to be used as a reference to linking related datasets including leaf water potential, leaf spectra, LMA, gas exchange and leaf chemistry (CHN, NSC). Most leaves were sampled from sunlit canopy trees. VERSION 2 update. The identification of a species from the PNM site has been corrected as follows: the identification of the tree initially identified as Pseudosamanea guachapele (ALBIED) has been revised to Albizia adinocephala (ALBIAD). The updated data package includes revised data, metadata and protocol documents updated to reflect this change.

54 ENVIRONMENTAL SCIENCES↗

Diurnal leaf gas exchange survey, Feb2016-May2016, PA-SLZ, PA-PNM: Panama

This data package contains the results of a diurnal leaf gas exchange survey measured on sunlit canopy trees within the NGEE Tropics sites Parque Natural Metropolitano (PA-PNM) and Bosque Protector San Lorenzo (PA-SLZ) in Panama. Measurements were taken on a monthly basis from February to May of 2016. This data was collected as part of the 2016 El Niño-Southern Oscillation (ENSO) campaign. Included in this data package are two Excel files with data (2016ENSO_Panama_DiurnalGasEx, 2016ENSO_Panama_AreaCorrections) and additional Excel files with associated metadata. Also included is a Word document (Metadata_description_2016_ENSO_Panama) with details such as data collection methods, equipment used, and site information. See related datasets for further sample details, leaf water potential, LMA, leaf spectra, other gas exchange and leaf chemistry. VERSION 2 update. The identification of a species from the PNM site has been corrected as follows: the identification of the tree initially identified as Pseudosamanea guachapele (ALBIED) has been revised to Albizia adinocephala (ALBIAD). The updated data package includes revised data, metadata and protocol documents updated to reflect this change.

54 ENVIRONMENTAL SCIENCES↗

Leaf mass area, Feb2016-May2016, PA-SLZ, PA-PNM, PA-BCI: Panama

This data package contains leaf mass data per unit area measured on a monthly basis from February to April, 2016, at the Bosque Protector San Lorenzo (PA-SLZ) and Parque Natural Metropolitano (PA-PNM) sites in Panama. Data from the Barro Colorado Island (PA-BCI) site are only available for March. This data was collected as part of the 2016 El Niño-Southern Oscillation (ENSO) campaign. Included in this data package are an Excel file with data (2016ENSO_Panama_LMA1) and two Excel files with associated metadata. Also included is a Word document (Metadata_description_2016_ENSO_Panama) with details such as data collection methods, equipment used, and site information. See related datasets for further sample details, leaf water potential, leaf spectra, gas exchange and leaf chemistry. VERSION 2 update. The identification of a species from the PNM site has been corrected as follows: the identification of the tree initially identified as Pseudosamanea guachapele (ALBIED) has been revised to Albizia adinocephala (ALBIAD). The updated data package includes revised data, metadata and protocol documents updated to reflect this change.

54 ENVIRONMENTAL SCIENCES↗

Leaf spectra, Feb2016-April2016, PA-SLZ, PA-PNM, PA-BCI: Panama

This data package contains leaf spectra data measured on a monthly basis from February to April, 2016. Measurements were taken at the Bosque Protector San Lorenzo (SLZ), Barro Colorado Island (BCI) and Parque Natural Metropolitano (PNM) NGEE Tropics sites in Panama. Data from the BCI site are only available for March, 2016. Within the attached zip file are PDF manuals for instruments used, a guide to data collection protocol, and metadata files, including a PDF containing metadata for the 2016 ENSO gas exchange campaign. Also included is an additional zip file "2016_ENSO_BNL_Leaf_Spectra_Archive.zip" with data in .csv format organized by site. This data was collected as part of the 2016 ENSO campaign. See related datasets (existing and future) for further sample details, leaf water potential data, LMA, and gas exchange and leaf chemistry data. VERSION 2 update. The identification of a species from the PNM site has been corrected as follows: the identification of the tree initially identified as Pseudosamanea guachapele (ALBIED) has been revised to Albizia adinocephala (ALBIAD). The updated data package includes revised data, metadata and protocol documents updated to reflect this change.

54 ENVIRONMENTAL SCIENCES↗

2016 Panama ENSO Non-Structural Carbohydrates (NSC), Feb2016-May2016, PA-SLZ, PA-PNM, PA-BCI

Results from Non-Structural Carbohydrate analysis of leaf and branch samples are provided in 2016ENSO_Panama_NSC.xlsx. The metadata files (Metadata_description_2016_ENSO_Panama.docx, File_Submission_Metadata_v1_2016ENSO_Panama_NSC.xlsx), field log (E-Field_Log_2016ENSO_Panama.xlsx), and protocols (ENSO NSC field protocol.pdf, Tropics NSC Assay protocol.pdf) contain additional information. Contact lee@lanl.gov for additional information. VERSION 2 update. The identification of a species from the PNM site has been corrected as follows: the identification of the tree initially identified as Pseudosamanea guachapele (ALBIED) has been revised to Albizia adinocephala (ALBIAD). The updated data package includes revised data, metadata and protocol documents updated to reflect this change.

54 ENVIRONMENTAL SCIENCES↗

Leaf water potential, Feb2016-May2016, PA-SLZ, PA-PNM, PA-BCI: Panama

This data package contains leaf water potential data from the Barro Colorado Island (BCI), Parque Natural Metropolitano (PNM), and Bosque Protector San Lorenzo (SLZ) NGEE Tropics field sites in Panama. Pre-dawn and diurnal leaf water potential were measured on a monthly basis from February to May 2016 at SLZ and PNM. Data from BCI are only available for the month of March. This data was collected as part of the 2016 El Niño-Southern Oscillation (ENSO) campaign. Included in the attached zip file are data and metadata folders. The single data file "2016ENSO_Panama_LWP" has been provided in both Excel and CSV formats for usability purposes. The metadata file "Metadata_description_2016_ENSO_Panama" provides protocols, site descriptions, equipment information, and more, and has been provided in .docx and PDF file formats. See related datasets (existing and future) for further sample details, leaf spectra, leaf mass area (LMA), gas exchange and leaf chemistry data. VERSION 2 update. The identification of a species from the PNM site has been corrected as follows: the identification of the tree initially identified as Pseudosamanea guachapele (ALBIED) has been revised to Albizia adinocephala (ALBIAD). The updated data package includes revised data, metadata and protocol documents updated to reflect this change.

54 ENVIRONMENTAL SCIENCES↗