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Chiral building blocks have the ability to self-assemble and transfer chirality to larger hierarchical length scales, which can be leveraged for the development of novel nanomaterials. Chiral block copolymers, where one block is made completely chiral, are prime candidates for studying this phenomenon, but fundamental questions regarding the self-assembly are still unanswered. For one, experimental studies using different chemistries have shown unexplained diverging shifts in the order–disorder transition temperature. In this study, particle-based molecular simulations of chiral block copolymers in the disordered melt were performed to uncover the thermodynamic behavior of these systems. A wide range of helical models were selected, and several free energy calculations were performed. Specifically, we aimed to understand (1) the thermodynamic impact of changing the conformation of one block in chemically identical block copolymers and (2) the effect of the conformation on the Flory–Huggins interaction parameter, χ, when chemical disparity was introduced. We found that the effective block repulsion exhibits diverging behavior, depending on the specific conformational details of the helical block. Commonly used conformational metrics for flexible or stiff block copolymers do not capture the effective block repulsion because helical blocks are semiflexible and aspherical. Instead, pitch can quantitatively capture the effective block repulsion. Quite remarkably, the shift in χ for chemically dissimilar block copolymers can switch sign with small changes in the pitch of the helix. 

Abstract. A global in situ data set for validation of ocean colour productsfrom the ESA Ocean Colour Climate Change Initiative (OC-CCI) is presented.This version of the compilation, starting in 1997, now extends to 2021,which is important for the validation of the most recent satellite opticalsensors such as Sentinel 3B OLCI and NOAA-20 VIIRS. The data set comprisesin situ observations of the following variables: spectral remote-sensingreflectance, concentration of chlorophyll-a, spectral inherent opticalproperties, spectral diffuse attenuation coefficient, and total suspendedmatter. Data were obtained from multi-project archives acquired via openinternet services or from individual projects acquired directly from dataproviders. Methodologies were implemented for homogenization, qualitycontrol, and merging of all data. Minimal changes were made on the originaldata, other than conversion to a standard format, elimination of some points,after quality control and averaging of observations that were close in timeand space. The result is a merged table available in text format. Overall,the size of the data set grew with 148 432 rows, with each row representing aunique station in space and time (cf. 136 250 rows in previous version;Valente et al., 2019). Observations of remote-sensing reflectance increasedto 68 641 (cf. 59 781 in previous version; Valente et al., 2019). There wasalso a near tenfold increase in chlorophyll data since 2016. Metadata ofeach in situ measurement (original source, cruise or experiment, principalinvestigator) are included in the final table. By making the metadataavailable, provenance is better documented and it is also possible toanalyse each set of data separately. The compiled data are available athttps://doi.org/10.1594/PANGAEA.941318 (Valente et al., 2022). 

Abstract. A global compilation of in situ data is useful to evaluate thequality of ocean-colour satellite data records. Here we describe the datacompiled for the validation of the ocean-colour products from the ESA OceanColour Climate Change Initiative (OC-CCI). The data were acquired fromseveral sources (including, inter alia, MOBY, BOUSSOLE, AERONET-OC, SeaBASS, NOMAD,MERMAID, AMT, ICES, HOT and GeP&CO) and span the period from 1997 to 2018.Observations of the following variables were compiled: spectralremote-sensing reflectances, concentrations of chlorophyll a, spectralinherent optical properties, spectral diffuse attenuation coefficients andtotal suspended matter. The data were from multi-project archives acquiredvia open internet services or from individual projects, acquired directlyfrom data providers. Methodologies were implemented for homogenization,quality control and merging of all data. No changes were made to theoriginal data, other than averaging of observations that were close in timeand space, elimination of some points after quality control and conversionto a standard format. The final result is a merged table designed forvalidation of satellite-derived ocean-colour products and available in textformat. Metadata of each in situ measurement (original source, cruise orexperiment, principal investigator) was propagated throughout the work andmade available in the final table. By making the metadata available,provenance is better documented, and it is also possible to analyse each setof data separately. This paper also describes the changes that were made tothe compilation in relation to the previous version (Valente et al., 2016).The compiled data are available athttps://doi.org/10.1594/PANGAEA.898188 (Valente et al., 2019).