Near-infrared C-term MCD spectroscopy of octahedral uranium(v) complexes

2021 ◽  
Author(s):  
Daniel J. Curran ◽  
Gaurab Ganguly ◽  
Yonaton N. Heit ◽  
Nikki J. Wolford ◽  
Stefan G. Minasian ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Near Infrared ◽  
Insight Into

Experimental and theoretical near-infrared C-term MCD spectroscopy as a tool to enable broader insight into electronic structure in U(v) Oh complexes.

scholarly journals Spectroscopy and Photochemistry of Copper Nitrate Clusters

2021 ◽  
Author(s):  
Tobias F. Pascher ◽  
Milan Ončák ◽  
Christian van der Linde ◽  
Martin K. Beyer
Keyword(s):  
Electronic Structure ◽  
Gas Phase ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Copper Nitrate ◽  
Copper Salt ◽  
Cluster Anions ◽  
Insight Into

The investigation of copper nitrate cluster anions Cu(II)n(NO3)2n+1–, n ≤ 4, in the gas phase using ultraviolet/visible/near-infrared (UV/Vis/NIR) spectroscopy provides detailed insight into the electronic structure of the copper salt...

scholarly journals Assessment of chicken breast shelf life based on bench-top and portable NIR spectroscopy tools coupled with chemometrics

2020 ◽  
Author(s):  
Ilaria Lanza ◽  
Daniele Conficoni ◽  
Stefania Balzan ◽  
Marco Cullere ◽  
Luca Fasolato ◽  
...  
Keyword(s):  
Discriminant Analysis ◽  
Shelf Life ◽  
Meat Quality ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Life Assessment ◽  
Chicken Breast ◽  
Portable Devices ◽  
Physicochemical Processes ◽  
Insight Into

Abstract Near-infrared (NIR) spectroscopy is a rapid technique able to assess meat quality even if its capability to determine the shelf life of chicken fresh cuts is still debated, especially for portable devices. The aim of the study was to compare bench-top and portable NIR instruments in discriminating between four chicken breast refrigeration times (RT), coupled with multivariate classifier models. Ninety-six samples were analysed by both NIR tools at 2, 6, 10 and 14 days post-mortem. NIR data were subsequently submitted to partial least squares discriminant analysis (PLS-DA) and canonical discriminant analysis (CDA). The latter was preceded by double feature selection based on Boruta and Stepwise procedures. PLS-DA sorted moderate separation of RT theses, while shelf life assessment was more accurate on application of Stepwise-CDA. Bench-top tool had better performance than portable one, probably because it captured more informative spectral data as shown by the variable importance in projection (VIP) and restricted pool of Stepwise-CDA predictive scores (SPS). NIR tools coupled with a multivariate model provide deep insight into the physicochemical processes occurring during storage. Spectroscopy showed reliable effectiveness to recognise a 7-day shelf life threshold of breasts, suitable for routine at-line application for screening of meat quality.

scholarly journals Indirect bandgap, optoelectronic properties, and photoelectrochemical characteristics of high-purity Ta3N5 photoelectrodes

2021 ◽  
Vol 9 (36) ◽  
pp. 20653-20663
Author(s):  
Johanna Eichhorn ◽  
Simon P. Lechner ◽  
Chang-Ming Jiang ◽  
Giulia Folchi Heunecke ◽  
Frans Munnik ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
High Purity ◽  
Optoelectronic Properties ◽  
Precise Control ◽  
Insight Into

The (opto)electronic properties of Ta3N5 photoelectrodes are often dominated by defects, but precise control of these defects provides new insight into the electronic structure, photocarrier transport, and photoelectrochemical function.

Crystal and electronic structure of the new ternary phosphide Ho5Pd19P12

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Olha Zhak ◽  
Oksana Karychort ◽  
Volodymyr Babizhetskyy ◽  
Chong Zheng
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Structure Property Relationships ◽  
Metallic Bonding ◽  
Crystal And Electronic Structure ◽  
Insight Into

Abstract The title compound was prepared from the pure elements by sintering. The crystal structure was investigated by means of powder X-ray diffraction data. Ho5Pd19P12 exhibits the hexagonal Ho5Ni19P12-type structure with space group P 6 ‾ 2 m $P‾{6}2m$ , a = 13.1342(2), c = 3.9839(1) Å, R I = 0.060, R p = 0.080. The crystal structure can be described as a combination of two types of the structural units, [HoPd6P3] and [Ho3Pd10P6], respectively, mutually displaced by 1/2 along the crystallographic c axis. Quantum chemical calculations have been performed to analyze the electronic structure and provide deeper insight into the structure-property relationships. The results of the quantum chemical calculations indicate that the material features metallic bonding between Ho and Pd and covalent bonding between Pd and P.

scholarly journals The impact of improved satellite retrievals on estimates of biospheric carbon balance

2020 ◽  
Vol 20 (1) ◽  
pp. 323-331 ◽  
Author(s):  
Scot M. Miller ◽  
Anna M. Michalak
Keyword(s):  
Carbon Balance ◽  
Near Infrared ◽  
Co2 Flux ◽  
Retrieval Algorithm ◽  
Co2 Uptake ◽  
Near Infrared Radiation ◽  
Sources And Sinks ◽  
Satellite Retrievals ◽  
The Impact ◽  
Insight Into

Abstract. The Orbiting Carbon Observatory 2 (OCO-2) is NASA's first satellite dedicated to monitoring CO2 from space and could provide novel insight into CO2 fluxes across the globe. However, one continuing challenge is the development of a robust retrieval algorithm: an estimate of atmospheric CO2 from satellite observations of near-infrared radiation. The OCO-2 retrievals have undergone multiple updates since the satellite's launch, and the retrieval algorithm is now on its ninth version. Some of these retrieval updates, particularly version 8, led to marked changes in the CO2 observations, changes of 0.5 ppm or more. In this study, we evaluate the extent to which current OCO-2 observations can constrain monthly CO2 sources and sinks from the biosphere, and we particularly focus on how this constraint has evolved with improvements to the OCO-2 retrieval algorithm. We find that improvements in the CO2 retrieval are having a potentially transformative effect on satellite-based estimates of the global biospheric carbon balance. The version 7 OCO-2 retrievals formed the basis of early inverse modeling studies using OCO-2 data; these observations are best equipped to constrain the biospheric carbon balance across only continental or hemispheric regions. By contrast, newer versions of the retrieval algorithm yield a far more detailed constraint, and we are able to constrain CO2 budgets for seven global biome-based regions, particularly during the Northern Hemisphere summer when biospheric CO2 uptake is greatest. Improvements to the OCO-2 observations have had the largest impact on glint-mode observations, and we also find the largest improvements in the terrestrial CO2 flux constraint when we include both nadir and glint data.

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