Quantum Mechanical–NMR-Aided Configuration and Conformation of Two Unreported Macrocycles Isolated from the Soft Coral Lobophytum sp.: Energy Calculations versus Coupling Constants

Two new macrocyclic cembranoids were isolated from the South China Sea soft coral Lobophytum sp. Quantum mechanical–nuclear magnetic resonance (QM–NMR) methods were decisive in their structural elucidation. Better performance in arriving at definitive structures was obtained by QM–NMR methods upon incorporation of 3JHH values. The validity of this approach also supported an alternative conformational proposal versus that obtained by X-ray crystallography.

Li, Song-Wei; Cuadrado, Cristina; Yao, Li-Gong; Hernández Daranas, Antonio; Guo, Yue-Wei

Organic Letters (2020)
DOIDigital.CSIC

Bayesian Inversion of Wrapped Satellite Interferometric Phase to Estimate Fault and Volcano Surface Ground Deformation Models

Bayesian inference and an improved downsampling method is used to determine earthquake and volcano source parameters using a popular geodetic observation method, satellite radar interferometry. The main novelty of the proposed approach is that the interferometric wrapped phase can be directly inverted, circumventing the ill‐posed phase unwrapping processing step. Phase unwrapping errors severely affect the estimation of earthquake and volcano source parameters using interferometric observations. Therefore, it is desirable to avoid phase unwrapping completely. To overcome the need for phase unwrapping, we propose a downsampling algorithm and a method to estimate the covariance function of the wrapped phase and establish an appropriate misfit function between the observed and simulated wrapped phase. Uncertainties in source parameters are assessed with a Bayesian approach, and finally, the robustness of the inversion methodology is tested in multiple simulations including variable decorrelation and atmospheric noise simulations. The method is shown to be robust in challenging noise scenarios. It features an improvement in performance with the Bayesian approach, compared to similar previous methods, avoiding any influence of seed starting models and escaping local minima. The impact of a small percentage of incorrectly unwrapped phase observations in current state‐of‐the‐art methods is shown to strongly affect the estimation process. We conclude that in the cases where phase unwrapping is difficult or even impossible, the proposed inversion methodology with wrapped phase will provide an alternative approach to assess earthquake and volcano source model parameters.

Jiang, Yu; González, Pablo J.

JGR-Solid Earth 125 (5): e2019JB018313 (2020)
DOIDigital.CSIC

A database of functional traits for spiders from native forests of the Iberian Peninsula and Macaronesia

Background
There is an increasing demand for databases including species trait information for
biodiversity and community ecology studies. The existence of trait databases is useful for
comparative studies within taxa or geographical regions, but there is low availability of
databases for certain organisms. Here we present an open access functional trait database
for spiders from Macaronesia and the Iberian Peninsula, recording several morphological
and ecological traits related to the species life histories, microhabitat and trophic
preferences.

New information
We present a database that includes 12 biological traits for 506 spider species present in
natural forests of the Iberian Peninsula (Spain) and three Macaronesian archipelagoes
(Azores, Madeira and Canary Islands). The functional trait database consists of two
sections:
1. individual-level data for six morphological traits (total body size, prosoma length,
prosoma width, prosoma height, tibia I length and fang length), based on direct
measurements of 2844 specimens of all spider species; and
2. species-level aggregate data for 12 traits (same 6 morphological traits as in the
previous section plus dispersal ability, vertical stratification, circadian activity,
foraging strategy, trophic specialization and colonization status), based on either
the average of the direct measurements or bibliographic searches.
This functional trait database will serve as a data

Macías-Hernández, Nuria; Ramos, Cândida; Domènech, Marc; Febles, Sara; Santos, Irene; Arnedo, Miquel A,; Borges, Paulo A. V.; Emerson, Brent C.; Cardoso, Pedro

Biodiversity Data Journal 8: e49159 (2020)
DOIDigital.CSIC

Iconic, threatened, but largely unknown: Biogeography of the Macaronesian dragon trees (Dracaena spp.) as inferred from plastid DNA markers

The genus Dracaena in Macaronesia comprises two threatened species of arborescent monocots that are often associated with one of the most intriguing biogeographic disjunctions: the Rand Flora pattern. Molecular information is, however, largely missing for the Macaronesian Dracaena taxa (“MDT”, hereafter), and the biogeographic or population genetic patterns of this lineage have not yet been thoroughly assessed. To fill this gap, we generated plastid DNA sequence data of 14 Dracaena populations representing the entire natural distribution of MDT (including mainland Morocco and all recognized subspecies), 9 additional populations of subspontaneous origin, and a set of related species of the genus. We performed phylogenetic, biogeographic, and population genetic analyses at different spatial scales and conducted a comparative review on plant haplotype diversity in Macaronesian plants. The results of our phylogenetic analyses indicated the monophyly of the MDT and an origin separate from a clade of geographically distant species that so far were postulated as their closest living relatives (D. cinnabari, D. ombet, D. schizantha, D. serrulata). The results of our phylogeographic analyses indicated that diversification within D. draco occurred throughout the Pleistocene and that wild peripheral populations (Madeira, mainland Morocco) may have a recent origin from Canarian source populations. Recent dispersals, coupled with remarkably low levels of haplotype diversity, probably account for the weak phylogeographic signal observed across wild populations. However, our results suggested that human‐assisted expansion of Dracaena inflates the extant phylogeographic signal by non‐random translocation of a specific subset of haplotypes. Our study demonstrates that many of the previous biogeographic scenarios on MDT are not supported by molecular data. Instead, our results highlight (i) the impact that human activity may have on the phylogeographic pattern of island plants, and (ii) the need of a deeper taxonomic sampling in future investigations on MDT and close relatives.

Durán, Iván; Marrero, Águedo; Msanda, Fouad; Harrouni, Cherif; Gruenstaeudl, Michael; Patiño, Jairo; Caujapé-Castells, Juli; García-Verdugo, Carlos

Taxon 69(2): 217-233 (2020)
DOIDigital.CSIC

Integrated constraints on explosive eruption intensification at Santiaguito dome complex, Guatemala

Protracted volcanic eruptions may exhibit unanticipated intensifications in explosive behaviour and attendant hazards. Santiaguito dome complex, Guatemala, has been characterised by century-long effusion interspersed with frequent, small-to-moderate (<2 km high plumes) gas-and-ash explosions. During 2015–2016, explosions intensified generating hazardous ash-rich plumes (up to 7 km high) and pyroclastic flows. Here, we integrate petrological, geochemical and geophysical evidence to evaluate the causes of explosion intensification. Seismic and infrasound signals reveal progressively longer repose intervals between explosions and deeper fragmentation levels as the seismic energy of these events increased by up to four orders of magnitude. Evidence from geothermobarometry, bulk geochemistry and groundmass microlite textures reveal that the onset of large explosions was concordant with a relatively fast ascent of a deeper-sourced (∼17–24 km), higher temperature (∼960–1020 °C) and relatively volatile-rich magma compared to the previous erupted lavas, which stalled at ∼2 km depth and mingled with the left-over mush that resided beneath the pre-2015 lava dome. We interpret that purging driven by the injection of this deep-sourced magma disrupted the long-term activity, driving a transition from low energy shallow shear-driven fragmentation, to high energy deeper overpressure-driven fragmentation that excavated significant portions of the conduit and intensified local volcanic hazards. Our findings demonstrate the value of multi-parametric approaches for understanding volcanic processes and the triggers for enigmatic shifts in eruption style, with the detection of vicissitudes in both monitoring signals and petrological signatures of the eruptive products proving paramount.

Wallace, Paul A.; Lamb, Oliver D.; De Angelis, Silvio; Kendrick, Jackie E.; Hornby, Adrian J.; Díaz-Moreno, Alejandro; González, Pablo J.; von Aulock, Felix W.; Lamur, Anthony; Utley, James E.P.; Rietbrock, Andreas; Chigna, Gustavo; Lavallée, Yan

Earth and Planetary Science Letters 536: 116139 (2020)
DOIDigital.CSIC

800 ka of Palaeoenvironmental changes in the Southwestern Mediterranean realm

We provided valuable information about the palaeoenvironmental evolution of Southwestern Europe during the last 800 ka through the palynological study of the longest continuous continental Quaternary record in the Iberian Peninsula and in the Southwestern Mediterranean region. The SPD core studied here constituted the longest sequence recovered at the Padul Basin and we improved the chronological precision with respect to previous research. Furthermore, the high sampling resolution provided interesting insights into the main vegetation changes occurred at long-term timescales in the region and allowed correlating these variations with other long continental records of Europe. Dating using palaeomagnetism, amino acid racemisation, U/Th and C-14 allowed us to construct a robust Bayesian age-depth function, thereby making it possible to determine the chronological framework for the Padul record. From the palynological content of the samples, which were grouped in 11 clusters, we obtained a large variable number of minor pollen variations totalling 21 palynozones identified along the record. From the statistical analysis of the pollen data, some pollen environmental indexes were defined, allowing the reconstruction of palaeotemperature and palaeohumidity conditions. Five climatic scenarios were established: cold/arid, cold/semi-arid, cold/wet, temperate/wet (Mediterranean-climate), and warm/wet (Mediterranean-climate with higher moisture). Of note, the vegetation in the Padul Basin differed from that of other European basins with long pollen records due to regional characteristics, but main palaeoenvironmental trends were in agreement. Pinus, Steppic, Xerophilous, and Mediterranean taxa in the Padul Basin showed a continuous and dominant presence along the whole record, while only in certain periods did humidity increase, reflected by the expansion of Spores, Deciduous and Mediterranean taxa (especially in Pz 2, 7 and 13), but without any large expansion of deciduous forest. Comparison with other European records revealed the singular bioclimatic position of the Padul Basin in the Southwestern Mediterranean realm, and this part of Iberia can be considered a Quaternary vegetation refuge, mainly for mesophillous taxa and sclerophyllous oak. Although the biomes of the Padul basin and other European basins could not be compared directly, the main palaeoenvironmental trends were coincident (interstadials were marked by warmer periods and greater humidity, whereas stadials were cooler and more arid). These observations suggest that environmental changes in the Padul Basin were in tune with variations in global palaeoclimatic conditions.

Torres, Trinidad; Valle, Maruja; Ortiz, José E.; Soler, Vicente; Araujo, Rafael; Rivas, María R.; Delgado, Antonio; Julià, Ramón; Sánchez-Palencia, Yolanda

Journal of Iberian Geology 46: 117–144 (2020)
DOIDigital.CSIC

Natural wine: do consumers know what it is, and how natural it really is?

Natural wine is a small but rapidly growing sector within the wine industry. Expertise in the field has been advanced by wine experts and professionals, while publications to aid in further understanding the topic lag behind. This manuscript highlights the need to develop more rigorous methodologies to better understand the market segment of natural wine, its consumers, and their composition and behaviour. Moreover, it calls for a deeper theoretical engagement with the notion of natural wine, which positions it among other sustainable and ecological certifications, including organic, biodynamic or sulphite-free. This would allow researchers to advance from the current state of knowledge, which continues to limit our ‘practical’ capacity for advice to policy makers but not to winemakers and marketers. These theoretical and methodological developments would allow scholars to catch up with debates being held by different social actors in the natural wine scene, including winemakers’ and consumer associations, bloggers, writers and professional marketers.

Alonso González, Pablo; Parga-Dans, Eva

Journal of Cleaner Production 251, 119635: 1-13 (2020)
DOIDigital.CSIC

Organic labeling controversies: a means to an end within global value chains

This commentary argues for strengthening the dialogue between the social and natural sciences as part of a more comprehensive sustainable approach to ecological farming practices that go beyond a focus on specific labels and certifications. It nuances the approach provided by Home et al. in their study of Swiss farms converting to organic agriculture, in emphasizing the need to deepen the study of such farming practices by including a broad vision of global value chains and a pragmatic approach to innovation and the different stakeholders involved. Ultimately, it calls for a more complex approach to eco-agriculture in its widest sense, that goes beyond dichotomies about conversion, certification and labeling. This would provide alternatives for researchers and other actors to move forward in theory and practice.

Alonso-González, Pablo; Parga-Dans, Eva

Renewable Agriculture and Food Systems 35(2): 109 - 114 (2020)
DOIDigital.CSIC

Phylogeographic and phenotypic outcomes of brown anole colonization across the Caribbean provide insight into the beginning stages of an adaptive radiation

Some of the most important insights into the ecological and evolutionary processes of diversification and speciation have come from studies of island adaptive radiations, yet relatively little research has examined how these radiations initiate. We suggest that Anolis sagrei is a candidate for understanding the origins of the Caribbean Anolis adaptive radiation and how a colonizing anole species begins to undergo allopatric diversification, phenotypic divergence and, potentially, speciation. We undertook a genomic and morphological analysis of representative populations across the entire native range of A. sagrei, finding that the species originated in the early Pliocene, with the deepest divergence occurring between western and eastern Cuba. Lineages from these two regions subsequently colonized the northern Caribbean. We find that at the broadest scale, populations colonizing areas with fewer closely related competitors tend to evolve larger body size and more lamellae on their toepads. This trend follows expectations for post‐colonization divergence from progenitors and convergence in allopatry, whereby populations freed from competition with close relatives evolve towards common morphological and ecological optima. Taken together, our results show a complex history of ancient and recent Cuban diaspora with populations on competitor‐poor islands evolving away from their ancestral Cuban populations regardless of their phylogenetic relationships, thus providing insight into the original diversification of colonist anoles at the beginning of the radiation. Our research also supplies an evolutionary framework for the many studies of this increasingly important species in ecological and evolutionary research.

Graham Reynolds, Robert; Kolbe, Jason J.; Glor, Richard E.; López-Darias, Marta; Gómez Pourroy, Verónica C.; Harrison, Alexis S.; de Queiroz, Kevin; J. Revell, Liam; B. Losos, Jonathan

Journal of Evolutionary Biology 33(4): 468-494 (2020)
DOIDigital.CSIC

Factors Affecting the Metabolite Productions in Endophytes: Biotechnological Approaches for Production of Metabolites

Since 1980, many species and different strains from endophytic genera of Phomopsis, Fusarium, Pestaliopsis and Aspergillus have been studied because of their ability to produce medicinal compounds found in their host plants. Some of these medicinal agents such as Taxol, Brefeldine A, Camptothecin and Podophyllotoxin are being produced in large-scale after an optimization process. However, the potential of fungal endophytes to produce host-like medicinal compounds remains largely unexplored.

Morales-Sánchez, Viridiana; Ándres, María Fe; Díaz, Carmen E.; González-Coloma, Azucena

Current Medicinal Chemistry 27(11): 1855-1873 (2020)
DOIDigital.CSIC