Big data tools

Year Information
2021 Kartashov, Oleg O.; Chernov, Andrey V.; Polyanichenko, Dmitry S.; Butakova, Maria A.
XAS Data Preprocessing of Nanocatalysts for Machine Learning Applications
MATERIALS 10.3390/ma14247884 
2021 Brennhagen, Anders; Cavallo, Carmen; Wragg, David S.; Sottmann, Jonas; Koposov, Alexey Y.; Fjellvag, Helmer
Understanding the (De)Sodiation Mechanisms in Na-Based Batteries through Operando X-Ray Methods
BATTERIES & SUPERCAPS 10.1002/batt.202000294 
2020 Chernyshov, Dmitry; Dovgaliuk, Iurii; Dyadkin, Vadim; van Beek, Wouter
Principal Component Analysis (PCA) for Powder Diffraction Data: Towards Unblinded Applications
CRYSTALS 10.3390/cryst10070581 
2020 Conterosito, Eleonora; Lopresti, Mattia; Palin, Luca
In Situ X-ray Diffraction Study of Xe and CO(2)Adsorption in Y Zeolite: Comparison between Rietveld and PCA-Based Analysis
CRYSTALS 10.3390/cryst10060483 
2019 Conterosito, Eleonora; Palin, Luca; Caliandro, Rocco; van Beek, Wouter; Chernyshov, Dmitry; Milanesio, Marco
CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 10.1107/S2053273318017618 
2019 Palin, Luca; Milanesio, Marco; van Beek, Wouter; Conterosito, Eleonora
Understanding the Ion Exchange Process in LDH Nanomaterials by Fast In Situ XRPD and PCA-Assisted Kinetic Analysis
JOURNAL OF NANOMATERIALS 10.1155/2019/4612493 
2018 Guccione, Pietro; Palin, Luca; Milanesio, Marco; Belviso, Benny Danilo; Caliandro, Rocco
Improved multivariate analysis for fast and selective monitoring of structural dynamics by in situ X-ray powder diffraction
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10.1039/c7cp06326a 
2017 Xu, Hongliang
Constraint-induced direct phasing method
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 10.1107/S2053273316013875 
2016 Palin, L.; Conterosito, E.; Caliandro, R.; Boccaleri, E.; Croce, G.; Kumar, S.; van Beek, W.; Milanesio, M.
Rational design of the solid-state synthesis of materials based on poly-aromatic molecular complexes
CRYSTENGCOMM 10.1039/c6ce00936k 
2015 Palin, Luca; Caliandro, Rocco; Viterbo, Davide; Milanesio, Marco
Chemical selectivity in structure determination by the time dependent analysis of in situ XRPD data: a clear view of Xe thermal behavior inside a MFI zeolite
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10.1039/c5cp02522b 
2014 Zhou, Fujun; Walker, Sarah E.; Mitchell, Sarah F.; Lorsch, Jon R.; Hinnebusch, Alan G.
Identification and Characterization of Functionally Critical, Conserved Motifs in the Internal Repeats and N-terminal Domain of Yeast Translation Initiation Factor 4B (yeIF4B)
JOURNAL OF BIOLOGICAL CHEMISTRY 10.1074/jbc.M113.529370 
2013 Can, Mehmet; Krucinska, Jolanta; Zoppellaro, Giorgio; Andersen, Niels H.; Wedekind, Joseph E.; Hersleth, Hans-Petter; Andersson, K. Kristoffer; Bren, Kara L.
Structural Characterization of Nitrosomonas europaea Cytochrome c-552 Variants with Marked Differences in Electronic Structure
CHEMBIOCHEM 10.1002/cbic.201300118 
2012 van Beek, Wouter; Emerich, Hermann; Urakawa, Atsushi; Palin, Luca; Milanesio, Marco; Caliandro, Rocco; Viterbo, Davide; Chernyshov, Dmitry
Untangling diffraction intensity: modulation enhanced diffraction on ZrO2 powder
JOURNAL OF APPLIED CRYSTALLOGRAPHY 10.1107/S0021889812018109 
2009 Xu, H.; Weeks, Ch. M.; Blessing, R. H.
Powder Shake-and-Bake Method
ZEITSCHRIFT FUR KRISTALLOGRAPHIE 10.1524/zksu.2009.0032