Water at the nanoscale: From filling or dewetting hydrophobic pores and carbon nanotubes to "sliding" on graphene.

In this work, we study the effect of nanoconfinement on the hydration properties of model hydrophobic pores and carbon nanotubes, determining their wetting propensity and the conditions for geometrically induced dehydration. By employing a recently introduced water structural index, we aim at two main goals: (1) to accurately quantify the local hydrophobicity and predict the drying transitions in such systems, and (2) to provide a molecular rationalization of the wetting process. In this sense, we will further discuss the number and strength of the interactions required by the water molecules to promote wetting. In the case of graphene-like surfaces, an explanation for their unexpectedly significant hydrophilicity will also be provided. On the one hand, the structural index will show that the net attraction to the dense carbon network that a water molecule experiences through several simultaneous weak interactions is sufficient to give rise to hydrophilic behavior. On the other hand, we will show that an additional effect is also at play: the hydrating water molecule is retained on the surface by a smooth exchange of such simultaneous weak interactions, as if "sliding" on graphene.

Epidemiological and clinical description of patients with oropharyngeal cancer treated in a public oncology referral hospital in Chile.

Introduction: The incidence of squamous carcinoma of the oropharynx (OPSCC) has presented an increase worldwide, a fact that occurs along with a phenomenon of epidemiological transition, whose pathogenesis is linked to human papilloma virus (HPV) in a significant part of the cases. Published evidence at the Latin American level is scarce. The present study aims to evaluate the epidemiological and clinical characteristics of patients with oropharyngeal cancer treated in a public oncology reference centre in Chile. Methodology: A cross-sectional study was carried out. Patients with histological confirmation of OPSCC aged 18 years or older, referred to the National Cancer Institute of Chile between 2012 and 2023 were included. The association with HPV was determined by immunohistochemistry for p16. Results: 178 patients were analysed, most of them in locoregionally advanced stages involving the palatine tonsil. Seventy-seven percent were male, with a median age of 60 years. Sixty-seven percent of patients were positive for p16, with a progressive increase to 85% in the last 2 years of the study. The p16(+) patients were younger and had fewer classical risk factors. Primary treatment was radiotherapy in 94% of patients. Conclusion: The epidemiological profile of patients with OPSCC treated in a Chilean public oncology referral centre reflects the epidemiological transition observed in developed countries. This change justifies the need to adapt health policies and conduct research that considers the characteristics of this new epidemiological profile.

Persistent Local Structural Defectiveness as an Early Time Predictor of Intermittent Glassy Relaxation Events in Supercooled Water.

To become a glass from the metastable supercooled state, a liquid experiences a dramatic dynamical slowing down within a narrow temperature window. However, the attainment of solid rigidity is not the result of breaking translational symmetry as in a crystal: the structure of the resulting amorphous solid strikingly resembles that of the liquid state. Moreover, the supercooled liquid is dynamically heterogeneous; that is, the dynamics varies by orders of magnitude from one region of the sample to another, but the establishment of the existence of strong structural differences between such regions has demanded hard efforts along the years. In this work, we focus precisely on such a structure-dynamics link for supercooled water showing that local regions with structural defectiveness are persistent during the structural relaxation of the system, hence acting as early time predictors of later intermittent glassy relaxation events.

Effect of Polymorphisms in the FCN1, FCN2, and FCN3 Genes on the Susceptibility to Develop Rheumatoid Arthritis: A Systematic Review.

Genetic association studies in rheumatoid arthritis conducted in various populations have yielded heterogeneous results. The present systematic review was conducted to synthesize the results of the studies in order to establish the impact of polymorphisms in the ficolin-coding genes FCN1, FCN2, and FCN3 on the susceptibility to develop rheumatoid arthritis. A systematic literature review was performed using the following keywords "gene (FCN1/FCN2/FCN3)", "Polymorphism/Genetic Variant", and "rheumatoid arthritis" in different databases until January 2022. Authors assessed articles by title/abstract and then assessed by full text for data extraction. The risk of bias was assessed using the Newcastle-Ottawa scale. Data synthesis was performed qualitatively and quantitatively. A total of 1519 articles were eligible for inclusion in this review, 3 were identified as relevant for the quantitative synthesis with 670 patients and 1019 controls. For the FCN1 gene, an association was found in the dominant and recessive genetic models of the variants rs2989727 (genotype TT = OR: 0.577, 95% CI: 0.430-0.769) and rs1071583 (genotype GG = OR: 1.537, 95% CI: 1.153-2.049, p = 0.0032) with the development of rheumatoid arthritis as a protective or susceptibility factor. FCN2 and FCN3 genes did not show association with disease development. The FCN1 gene variants rs2989727 and rs1071583 are associated with the risk of developing rheumatoid arthritis in populations from Brazil and Belgium, but not in FCN2 and FCN3 gene variants.

Fibrilación auricular en el atleta: ¿Adaptabilidad es sinónimo de riesgo? / Atrial Fibrillation in Athletes: Is Adaptability a Synonym of Risk?

RESUMEN La fibrilación auricular es la arritmia cardíaca más frecuente y de mayor interés debido a su alta morbimortalidad. Se encuentra asociada a los factores de riesgo cardiovascular, a la enfermedad cardíaca estructural y su prevalencia aumenta conforme a la edad. Su incidencia es mayor en deportistas de alta intensidad, en los que se plantea una fisiopatología diferente a la convencional, desde la base de una respuesta adaptativa hasta un exceso de ejercicio sostenido en el tiempo. Se evidencia además una clara diferencia entre sexos. Nuevas formas de diagnóstico se avizoran en el horizonte como el monitoreo con relojes inteligentes y la cuantificación de la fibrosis cardíaca con la resonancia magnética nuclear, que serán de gran utilidad. Su tratamiento es un gran desafío debido a la escasa evidencia y al impacto psicosocial que produce el cese del entrenamiento. El tratamiento definitivo y de elección hoy en día es la ablación de las venas pulmonares. Los bloqueantes cálcicos parecieran ser la mejor opción para el control de la frecuencia cardíaca, aunque aún son necesarios más estudios. Permanece además como interrogante el inicio o no de la anticoagulación.

ABSTRACT Atrial fibrillation (AF) is the most common cardiac arrhythmia and the most interesting due to its high morbidity and mortality. It is associated with cardiovascular risk factors and structural heart disease, and its prevalence increases with age. The incidence is higher in high-intensity athletes, with a pathophysiology different from conventional AF, from the basis of an adaptive response to an excess of sustained exercise over time. There is a clear difference between sexes. New diagnostic tools are on the horizon, such as smart watch monitors and quantification of cardiac fibrosis with nuclear magnetic resonance imaging, which will be very useful. Treatment of AF is a great challenge due to the scarce evidence and the psychosocial impact caused by stopping training. Pulmonary vein ablation is currently the definitive treatment of choice. Calcium channel blockers seem to be the best option for HR control; nevertheless, more studies. The initiation or not of anticoagulation also remains a question mark.

Características del melanoma cutáneo en dos instituciones de Bogotá, Colombia: Análisis 2012-2016 / Characteristic features of cutaneousmelanoma in two institutions of Bogotá, Colombia: Analysis, 2012-2016

Resumen Introducción: El Melanoma es una neoplasia que se origina de los melanocitos. Este tumor, a pesar de representar solo el 5% de las neoplasias cutáneas, es el responsable del 70% de las muertes producidas por cáncer de piel. En Colombia se ha registrado una supervivencia del 79% a 5 años y en el caso particular del melanoma lentiginoso acral, de tan solo 54%. No obstante, los datos nacionales no son claros, por lo cual es necesario caracterizar a los pacientes con dicho diagnóstico para contribuir con futuros estudios. Metodología: Estudio de corte transversal en el cual se incluyeron y analizaron registros clínicos, demográficos e histopatológicos de pacientes con diagnóstico de melanoma cutáneo atendidos en dos instituciones dermatológicas de Bogotá, Colombia, durante los años 2012-2016. Resultados: Se incluyeron un total de 255 pacientes, la mayoría mujeres (61.0%). Se observó un aumento de 22 a 64 casos diagnosticados en los años 2012 y 2016 respectivamente. El subtipo histológico más frecuente fue el lentigo maligno (33.7%) seguido del melanoma lentiginoso acral (16.1%). La principal localización fue la cara (43.1%). El tiempo entre la detección y la confirmación del diagnóstico por biopsia fue de 17 meses. El 20% de los casos correspondió con un índice de Breslow <1 y el 42.4% de los casos un Clark de I. Conclusiones: Se observó un aumento en el número de casos nuevos de melanoma cutáneo entre los años 2012 y 2016, siendo los subtipos más frecuentemente diagnosticados el lentigo maligno y el melanoma lentiginoso acral. Los tiempos promedio de diagnóstico fueron prolongados.

Abstract Introduction: Melanoma is a cutaneous neoplasm originating from melanocytes. This tumor, despite representing only 5% of skin neoplasms, is responsible for 70% of deaths caused by skin cancer. In Colombia, a mortality of 0.5/100,000 inhabitants has been reported with a survival rate of 79% at 5 years, but in the case of acral lentiginous melanoma, survival is only 54%. However, national data are not clear, which highlights the need to characterize patients with this diagnosis to contribute to further epidemiological studies. Methodology: Cross-sectional study of the clinical, demographic, and histopathological records of patients with diagnosis of cutaneous melanoma, who were attended in two dermatological centers of Bogotá, Colombia, during 2012-2016. Results: A total of 255 patients were included, most of them women (61.0%). An increase from 22 to 64 diagnosed cases was observed from 2012 to 2016, respectively. The most frequent histological subtype was lentigo maligna (33.7%), followed by lentiginous acral melanoma (16.1%). The main location was face (43.1%). The time between detection and confirmation of diagnosis by biopsy was 17 months. 20% of the cases had a Breslow index <1 and 42.4% of the cases were Clark's level I. Conclusions: There was an increase in the number of new cases of cutaneous melanoma between 2012 and 2016, the most frequently diagnosed subtypes being lentigo maligna and acral lentiginous melanoma. The average time of diagnosis was prolonged.

Structural aspects of an energy-based water classification index and the structure-dynamics link in glassy relaxation.

An energy-based structural indicator for water, [Formula: see text], has been recently introduced by our group. In turn, in this work we aim at: (1) demonstrating that [Formula: see text] is indeed able to correctly classify water molecules between locally structured tetrahedral (T) and locally distorted (D) ones, circumventing the usual problem of certain previous indicators of overestimating the distorted state; (2) correlating [Formula: see text] with dynamic propensity, a measure of the molecular mobility tendency, in order to seek for the existence of a connection between structure and dynamics within the supercooled regime. More specifically, in the first part of this work we will show that [Formula: see text] accurately discriminates between merely thermally deformed local molecular arrangements and truly distorted molecules (defects). This fact will be made evident not only from radial distribution function results but also from the dynamic propensity distributions of the different kinds of molecules. In turn, we shall devote the second part of this work to finding correlations between T and D molecules with low- and high-dynamic-propensity molecules, respectively, thus revealing the existence of a link between local structure and dynamics, while also making evident the dominant role of the D molecules (defects) in the structural relaxation. Moreover, the availability of a proper molecular classification technique will enable us to study the timescale of such influence of structure on dynamics by defining a modified dynamic propensity measure and by applying it to the structured and unstructured water molecular states.

CDKN2A Polymorphism in Melanoma Patients in Colombian Population: A Case-Control Study.

INTRODUCTION: Melanoma is the most aggressive type of skin cancer, with poor prognosis in advanced stages. The incidence and mortality rates have increased in recent years. Single nucleotide polymorphisms p.R24P, p.M53I, p.G101W, p.V126D, and p.A148T in the CDKN2A (HGNC ID: 1787) gene have been associated with the development of melanoma in different populations; however, this association has not been studied in Colombia. METHODS: Cutaneous melanoma patients and healthy controls (85 cases and 166 controls) were included in this study. These subjects were screened through HRM-qPCR assay and detected variants in exon 1 and 2 of CDKN2A gene and confirmed with Sanger sequencing. Chi-square test was used to compare allele and genotype distributions between cases and controls. Odds ratio (OR) with 95% confidence interval (CI) was calculated to determine the association between polymorphisms and haplotypes with melanoma susceptibility. Statistical and haplotype analyses were performed using Stata® and R-Studio®. RESULTS: Fifty-four percent of women were identified both in cases and controls. The frequencies of melanoma subtypes were 36,47% lentigo maligna, 24,71% acral lentiginous, 23,53% superficial extension, and 15,29% nodular. Variants in the CDKN2A gene were 11.76% in cases and 8.43% in controls. The most frequent was p.A148T in 5.88% of cases and in 4.82% of controls. GGTTG haplotype showed statistically significant differences between cases and controls (p value = 0.04). CONCLUSION: CDKN2A polymorphisms p.G101W, p.R24P, p.M53I, and A148T are not associated with melanoma susceptibility in the Colombian population; further studies regarding genetic interaction and additive effects between more variants are required.

Audio recordings dataset of grazing jaw movements in dairy cattle.

This dataset is composed of correlated audio recordings and labels of ingestive jaw movements performed during grazing by dairy cattle. Using a wireless microphone, we recorded sounds of three Holstein dairy cows grazing short and tall alfalfa and short and tall fescue. Two experts in grazing behavior identified and labeled the start, end, and type of each jaw movement: bite, chew, and chew-bite (compound movement). For each segment of raw audio corresponding to a jaw movement we computed four well-known features: amplitude, duration, zero crossings, and envelope symmetry. These features are in the dataset and can be used as inputs to build automated methods for classification of ingestive jaw movements. Cow's grazing behavior can be monitored and characterized by identifying and analyzing these masticatory events.

Genome-wide Transcriptional Analysis of Tetrahymena thermophila Response to Exogenous Cholesterol.

The ciliate Tetrahymena thermophila does not require sterols for growth and synthesizes pentacyclic triterpenoid alcohols, mainly tetrahymanol, as sterol surrogates. However, when sterols are present in the environment, T. thermophila efficiently incorporates and modifies them. These modifications consist of desaturation reactions at positions C5(6), C7(8), and C22(23), and de-ethylation at C24 of 29-carbon sterols (i.e. phytosterols). Three out of four of the enzymes involved in the sterol modification pathway have been previously identified. However, identification of the sterol C22 desaturase remained elusive, as did other basic aspects of this metabolism. To get more insights into this peculiar metabolism, we here perform a whole transcriptome analysis of T. thermophila in response to exogenous cholesterol. We found 356 T. thermophila genes to be differentially expressed after supplementation with cholesterol for 2 h. Among those that were upregulated, we found two genes belonging to the long spacing family of desaturases that we tentatively identified by RNAi analysis as sterol C22 desaturases. Additionally, we determined that the inhibition of tetrahymanol synthesis after supplementation with cholesterol occurs by a transcriptional downregulation of genes involved in squalene synthesis and cyclization. Finally, we identified several uncharacterized genes that are likely involved in sterols transport and signaling.

Structural features of high-local-density water molecules: Insights from structure indicators based on the translational order between the first two molecular shells.

The two-liquids scenario for liquid water assumes the existence of two competing preferential local molecular structural states characterized by either low or high local density. While the former is expected to present good local order thus involving privileged structures, the latter is usually regarded as conforming a high-entropy unstructured state. A main difference in the local arrangement of such "classes" of water molecules can be inferred from the degree of translational order between the first and second molecular shells. This is so, since the low-local-density molecules present a clear gap between the first two shells while in the case of the high-local-density ones, one or more molecules from the second shell have collapsed toward the first one, thus populating the intershell region. Some structural indicators, like the widely employed local structure index and the recently introduced ζ index, have been devised precisely on the basis of this observation, being successful in detecting well-structured low-local-density molecules. However, the nature of the high-local-density state has been mainly disregarded over the years. In this work we employ molecular dynamics simulations for two water models (the extended simple point charge model and the five-site model) at the liquid and supercooled regimes combined with the inherent dynamics approach (energy minimizations of the instantaneous configurations) in order to both rationalize the detailed structural and topological information that these indicators provide and to advance in our understanding of the high-density state.

Comparing the performance of two structural indicators for different water models while seeking for connections between structure and dynamics in the glassy regime.

In this work, we compare the performance of two structural indicators based on the degree of translational order up to the second coordination shell in three water models: SPC/E, TIP4P/2005, and TIP5P. Beyond directly contrasting their distributions for different temperatures to evidence their usefulness in estimating the fraction of structured and unstructured molecules and, when possible, their classification capability, we also correlate them with an indirect measure of structural constraint: the dynamic propensity. Furthermore, this procedure enables us to show the existence of evident correlations between structural and dynamical information. More specifically, we find that locally structured molecules display a preference for low dynamic propensity values and, more conspicuously, that locally unstructured molecules are extremely subject to high dynamic propensity. This result is particularly relevant for the supercooled regime where the establishment of firm links between the structure and dynamics has remained rather elusive since the occurrence of dynamics that vary in orders of magnitude upon supercooling usually contrast with barely noticeable overall structural changes.

Size dependence of dynamic fluctuations in liquid and supercooled water.

We study the evolution of dynamic fluctuations averaged over different space lengths and time scales to characterize spatially and temporally heterogeneous behavior of TIP4P/2005 water in liquid and supercooled states. Analyzing a 250 000 molecules simulated system, we provide evidence of the existence, upon supercooling, of a significant enhancement of spatially localized dynamic fluctuations stemming from regions of correlated mobile molecules. We show that both the magnitude of the departure from the value expected for the system-size dependence of an uncorrelated system and the system size at which such a trivial regime is finally recovered clearly increase upon supercooling. This provides a means to estimate an upper limit to the maximum length scale of influence of the regions of correlated mobile molecules. Notably, such an upper limit grows two orders of magnitude on cooling, reaching a value corresponding to a few thousand molecules at the lowest investigated temperature.

Environmental impacts on water resources from summer crops in rainfed and irrigated systems.

Irrigation is an intensification technology to increase productivity in agricultural systems, but the impacts of irrigation on the environmental performance of crops are not well understood. We evaluated impacts on water use and quality of rainfed and irrigated systems for corn and soybean production in temperate South America using nonparametric ANOVA tests for small sample sizes. We modeled blue water footprint, ecotoxicity, N and P balance, and eutrophication potential for six farms producing corn and soybean in rainfed and irrigated systems in Uruguay. Crop yields were 5948 and 7862 kg ha-1 for corn and 2482 and 3423 kg ha-1 for soybean, under rainfed and irrigation, respectively. The average blue water footprint for irrigated systems was 264 m3 ton-1 and zero for rainfed systems, with no difference between corn and soybean. The ecotoxicity was greater for soybean than for corn (1679 vs 325 CTUe kg-1) but there were no statistically significant differences in ecotoxicity between rainfed and irrigated systems. Based on Usetox methodology, insecticides had a greater ecotoxic effect (3.2 × 106 CTUe ha-1) than herbicides (7.3 × 104 CTUe ha-1), despite the lower doses applied (insecticides: 0.51 kg ha-1; herbicides: 6.83 kg ha-1). The aquatic eutrophication potential (based on Impact 2002 + methodology) among rainfed and irrigated systems presented no differences (29 vs 24 kgPO4-eq ha-1 for corn and 19 vs 27 kgPO4-eq ha-1 for soybean). The standardized environmental impacts for corn calculated per ha were similar than those per kg of grain when comparing rainfed vs irrigated systems. For soybean, however, standardized environmental impacts per ha were greater in the irrigated than in the rainfed systems, but were similar per kg of grain (except for water footprint). In summary, irrigation resulted in higher productivity and increased blue water footprint than rainfed, but in the set of farms analyzed it did not significantly increase inputs use, so no differences were detected in nutrient balance, eutrophication potential, or ecotoxicity. Soybeans had greater environmental impacts than corn in ecotoxicity and N excess per unit of area, but no statistically significant difference was found in the other indicators. These indicators may be useful as a predictive tool for resource management. Decision makers should consider the trade-offs between productivity, water use, and water quality when using irrigation for intensification of crop production.

On the proportional abundance of species: Integrating population genetics and community ecology.

The frequency of genes in interconnected populations and of species in interconnected communities are affected by similar processes, such as birth, death and immigration. The equilibrium distribution of gene frequencies in structured populations is known since the 1930s, under Wright's metapopulation model known as the island model. The equivalent distribution for the species frequency (i.e. the species proportional abundance distribution (SPAD)), at the metacommunity level, however, is unknown. In this contribution, we develop a stochastic model to analytically account for this distribution (SPAD). We show that the same as for genes SPAD follows a beta distribution, which provides a good description of empirical data and applies across a continuum of scales. This stochastic model, based upon a diffusion approximation, provides an alternative to neutral models for the species abundance distribution (SAD), which focus on number of individuals instead of proportions, and demonstrate that the relative frequency of genes in local populations and of species within communities follow the same probability law. We hope our contribution will help stimulate the mathematical and conceptual integration of theories in genetics and ecology.

Studies on electrostatic interactions within model nano-confined aqueous environments of different chemical nature.

We study the potential of mean force for pairs of parallel flat surfaces with attractive electrostatic interactions by employing model systems functionalized with different charged, hydrophobic and hydrophilic groups. We study the way in which the local environment (hydrophobic or hydrophilic moieties) modulates the interaction between the attractive charged groups on the plates by removing or attracting nearby water and thus screening or not the electrostatic interaction. To explicitly account for the role of the solvent and the local hydrophobicity, we also perform studies in vacuo. Additionally, the results are compared to that for non-charged plates in order to single out and rationalize the non-additivity of the different non-covalent interactions. Our simulations demonstrate that the presence of neighboring hydrophobic groups promote water removal in the vicinity of the charged groups, thus enhancing charge attraction upon self-assembly. This role of the local hydrophobicity modulating electrostatic interactions is consistent with recent qualitative descriptions in the protein binding context.

Structure and dynamics of high- and low-density water molecules in the liquid and supercooled regimes.

By combining the local structure index with potential energy minimisations we study the local environment of the water molecules for a couple of water models, TIP5P-Ew and SPC/E, in order to characterise low- and high-density "species". Both models show a similar behaviour within the supercooled regime, with two clearly distinguishable populations of unstructured and structured molecules, the fraction of the latter increasing with supercooling. Additionally, for TIP5P-Ew, we find that the structured component vanishes quickly at the normal liquid regime (above the melting temperature). Thus, while SPC/E provides a fraction of structured molecules similar to that found in X-ray experiments, we show that TIP5P-Ew underestimates such value. Moreover, unlike SPC/E, we demonstrate that TIP5P-Ew does not follow the linear dependence of the logarithm of the structured fraction with inverse temperature, as predicted by the two-order parameter model. Finally, we link structure to dynamics by showing that there exists a strong correlation between structural fluctuation and dynamics in the supercooled state with spatial correlations in both static and dynamic quantities.

Hydrogen Bond Dynamic Propensity Studies for Protein Binding and Drug Design.

We study the dynamic propensity of the backbone hydrogen bonds of the protein MDM2 (the natural regulator of the tumor suppressor p53) in order to determine its binding properties. This approach is fostered by the observation that certain backbone hydrogen bonds at the p53-binding site exhibit a dynamical propensity in simulations that differs markedly form their state-value (that is, formed/not formed) in the PDB structure of the apo protein. To this end, we conduct a series of hydrogen bond propensity calculations in different contexts: 1) computational alanine-scanning studies of the MDM2-p53 interface; 2) the formation of the complex of MDM2 with the disruptive small molecule Nutlin-3a (dissecting the contribution of the different molecular fragments) and 3) the binding of a series of small molecules (drugs) with different affinities for MDM2. Thus, the relevance of the hydrogen bond propensity analysis for protein binding studies and as a useful tool to complement existing methods for drug design and optimization will be made evident.

Hydrophilic behavior of graphene and graphene-based materials.

Graphene and the graphene-based materials like graphite, carbon nanotubes, and fullerenes are not only usually regarded as hydrophobic but also have been widely employed as paradigms for the investigation of the behavior of water under nonpolar confinement, a question of major concern for fields ranging from biology to materials design. However, some experimental and theoretical insights seem to contradict, at least partially, such a picture. In this work, we will provide firm evidence for a neat hydrophilic nature of graphene surfaces. Our molecular dynamics studies will demonstrate that parallel graphene sheets present a strong tendency to remain fully hydrated for moderately long times (even when the equilibrium state is indeed the collapse of the plates), and thus, they are less prone to self-assembly than model hydrophobic surfaces we shall employ as control which readily undergo a hydrophobic collapse. Potential of mean force calculations will indeed make evident that the solvent exerts a repulsive contribution on the self-assembly of graphene surfaces. Moreover, we shall also quantify graphene hydrophilicity by means of the calculation of water density at two pressures and water density fluctuations. This latter study has never been performed on graphene and represents a means both to confirm and to quantify its neat hydrophilic behavior. We shall also make evident the relevance of the mildly attractive water-carbon interactions, since their artificial weakening will be shown to revert from typically hydrophilic to typically hydrophobic behavior.

Dissecting the mechanism of Solanum lycopersicum and Solanum chilense flower colour formation.

Flowers are the defining feature of angiosperms, and function as indispensable organs for sexual reproduction. Flower colour typically plays an important role in attracting pollinators, and can show considerable variation, even between closely related species. For example, domesticated tomato (S. lycopersicum) has orange/yellow flowers, while the wild relative S. chilense (accession LA2405) has bright yellow flowers. In this study, the mechanism of flower colour formation in these two species was compared by evaluating the accumulation of carotenoids, assessing the expression genes related to carotenoid biosynthetic pathways and observing chromoplast ultrastructure. In S. chilense petals, genes associated with the lutein branch of the carotenoid biosynthetic pathway, phytoene desaturase (PDS), ζ-carotene desaturase (ZDS), lycopene ß-cyclase (LCY-B), ß-ring hydroxylase (CRTR-B) and ε-ring hydroxylase (CRTR-E), were highly expressed, and this was correlated with high levels of lutein accumulation. In contrast, PDS, ZDS and CYC-B from the neoxanthin biosynthetic branch were highly expressed in S. lycopersicum anthers, leading to increased ß-carotene accumulation and hence an orange/yellow colour. Changes in the size, amount and electron density of plastoglobules in chromoplasts provided further evidence of carotenoid accumulation and flower colour formation. Taken together, these results reveal the biochemical basis of differences in carotenoid pigment accumulation and colour between petals and anthers in tomato.