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Molecular docking is an important computational analysis widely used to predict the interaction of enzymes with several starting materials for developing new valuable products from several starting materials, including oils and fats. In the present study, molecular docking was used as an efficient in silico screening tool to select biocatalysts with the highest catalytic performance in butyl esters production in a solvent-free system, an eco-friendly approach, via direct esterification of free fatty acids from Licuri oil with butanol. For such purpose, three commercial lipase preparations were used to perform molecular docking studies such as Burkholderia cepacia (BCL), Porcine pancreatic (PPL), and Candida rugosa (CRL). Concurrently, the results obtained in BCL and CRL are the most efficient in the esterification process due to their higher preference for catalyzing the esterification of lauric acid, the main fatty acid found in the licuri oil composition. Meanwhile, PPL was the least efficient because it preferentially interacts with minor fatty acids. Molecular docking with the experimental results indicated the better performance in the synthesis of esters was BCL. In conclusion, experimental results analysis shows higher enzymatic productivity in esterification reactions of 1294.83 µmol/h.mg, while the CRL and PPL demonstrated the lowest performance (189.87 µmol / h.mg and 23.96 µmol / h.mg, respectively). Thus, molecular docking and experimental results indicate that BCL is a more efficient lipase to produce fatty acids and esters from licuri oil with a high content of lauric acid. In addition, this study also demonstrates the application of molecular docking as an important tool for lipase screening to achieve more sustainable production of butyl esters with a view synthesis of biolubricants.

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Licuri (Syagrus coronata) is an oilseed fruit common in the Brazilian caatinga and cerrado biomes. This fruit has high socioeconomic importance in the regions where it grows, being incorporated into exported animal feed and also into gastronomic preparations. Cereal bars are ready-to-eat highly consumed products with increased demand, commonly made with cereals and oilseeds such as licuri. In this sense, the incorporation of licuri in cereal bars may increase its socioeconomic value and expand its potential use. Thus, the objective of the study was to analyze acceptance and describe the sensory characteristics of cereal bars incorporated with licuri nuts. This study was conducted in four stages: (1) development of samples; (2) chemical composition analysis; (3) sensory analysis; and (4) statistical analysis. Cereal bars with licuri presented proportionally lower carbohydrate and protein content as the incorporation of licuri nut increased. However, the dietary fiber content increased. Further, 122 untrained panelists participated in the analysis. The results showed that samples with all proportions of incorporation of licuri nuts were acceptable. Furthermore, the sensory descriptors related to the presence of licuri were positively associated with product acceptance. In this way, this study demonstrates yet another possibility for use of the fruit, increasing its socioeconomic potential.

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Abstract Background: The production of biofuels has caused an increase in the prices of agricultural commodities. Thus, the ecological footprint, social inclusion and profitability of production systems have encouraged the use of agro-industrial products as an alternative in ruminant feeds. Objective: To evaluate carcass yields, non-carcass components, and the economic viability of including licuri oil in diet of Santa Ines ewes. Methods: A total of 32 Santa Ines ewes (multiparous, non-lactating, 2-4 years old, and 36.7±0.87 kg of body weight-BW) were allotted to a randomized block design with four treatments (diets containing 0, 2, 4 or 5% licuri oil) with eight replicates per treatment, and confined for 77 days. Results: The incremental inclusion of licuri oil promoted a quadratic response on slaughter BW, carcass and true yields, chest widths, heart fat, pancreas, omental fat, and ribeye area (p<0.05). Carcass, heart and loin weight, shank yield, fat thickness and loin fat were reduced (p<0.05); while cooling losses, left half-carcass weight, saw blade yield, and proportion of meat in the loin increased (p<0.05) with increasing dietary levels of licuri oil. The control diet resulted in the best gross revenue (USD$609.39); however, there was a loss (USD$50.96) regarding economic performance indicators. Conclusion: The use of up to 2% licuri oil in the diet increased carcass yield of discard ewes.

Resumen Antecedentes: La producción de biocombustibles ha provocado un aumento en los precios de los productos agrícolas básicos. Por lo tanto, la huella ecológica, la inclusión social y la rentabilidad de los sistemas productivos han incentivado la busqueda de productos agroindustriales como alternativa para la alimentación de rumiantes. Objetivo: Evaluar el rendimiento en canal, los componentes ajenos a la canal, y la viabilidad económica de incluir aceite de licuri en dietas para ovejas de raza Santa Ines. Métodos: Un total de 32 ovejas Santa Ines (multíparas, no lactantes, de 2 a 4 años y de 36,7±0,87 kg de peso corporal-PC) fueron asignadas a un diseño de bloques al azar con cuatro tratamientos (dieta basal adicionada con 0, 2, 4 o 5% de aceite de licuri) con ocho repeticiones por tratamiento, y confinadas por 77 días. Resultados: Los niveles incrementales de aceite de licuri tuvieron un efecto cuadrático sobre el PC al sacrificio, el rendimiento real y de la canal, el ancho del pecho, la grasa del corazón, el páncreas, la grasa del epiplón y el área del ojo del lomo (p<0,05). Se redujo (p<0,05) el peso de la canal, el corazón y el lomo, el rendimiento del jarrete, el grosor de la grasa y la grasa del lomo; y aumentaron las pérdidas por enfriamiento, el peso de media canal restante, el rendimiento de la hoja de sierra y la proporción de carne en el lomo (p<0,05) con niveles incrementales de aceite de licuri. La dieta control resultó en el mejor ingreso bruto (USD$609,39); sin embargo, hubo una pérdida (USD$50,96) en los indicadores de desempeño económico. Conclusión: El uso de hasta un 2% de aceite de licuri en la dieta incrementa el rendimiento en canal de las ovejas de descarte.

Resumo Antecedentes: A produção de biocombustíveis tem causado um aumento nos preços das commodities agrícolas. Assim, a pegada ecológica, a inclusão social e a rentabilidade do sistema de produção têm incentivado o uso de produtos agroindustriais como alternativa alimentar para ruminantes. Objetivo: Avaliar os rendimentos de carcaça, componentes não carcaça e a viabilidade econômica da inclusão do óleo de licuri em dietas para ovelhas Santa Inês. Métodos: Um total de 32 ovelhas Santa Inês (multíparas, não lactantes, 2-4 anos e 36,7±0,87 kg de peso corporal-PC) foram distribuídas em delineamento em blocos casualizados com 4 tratamentos (dietas contendo óleo de licuri a 0, 2, 4 e 5% de matéria seca) com 8 repetições por tratamento e confinadas por 77 dias. Resultados: A inclusão de óleo de licuri promoveu efeito quadrático no PC de abate, rendimentos de carcaça e verdadeiros, largura de peito, gordura do coração, pâncreas, gordura omental e área de olho de lombo (p<0,05). Os pesos de carcaça, coração e lombo, rendimento de pernil, espessura de gordura e gordura do lombo foram reduzidos (p<0,05), e as perdas por resfriamento, peso de meia carcaça esquerda, rendimento de lâmina de serra e proporção de carne no lombo aumentaram (p<0,05) com um aumento nos níveis de óleo de licuri. A dieta controle resultou na melhor receita bruta (USD$609,39); no entanto, houve uma perda (USD$50,96) em relação aos indicadores de desempenho econômico. Conclusão: O uso de até 2% de óleo de licuri na dieta proporcionou aumento nos rendimentos de carcaça de ovelhas de descarte.

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A mild, practical, and environmentally friendly method for the hydrodecarboxylation of fatty acids using an acridine-based photoredox catalyst and thiophenol was developed. Cn-1 alkanes were synthesized in good to excellent yields (up to 99 %) from C10-C18 saturated fatty acids under visible light irradiation (405 nm). The developed protocol was employed for a mixture of fatty acids obtained from the hydrolysis of Licuri oil, affording a mixture of C9-C17 hydrocarbons in quantitative yield, which demonstrates the potential application of the method to produce drop-in biofuels.

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In the present study, we demonstrated the use of molecular docking as an efficient in silico screening tool for lipase-triglyceride interactions. Computational simulations using the crystal structures from Burkholderia cepacia lipase (BCL), Thermomyces lanuginosus lipase (TLL), and pancreatic porcine lipase (PPL) were performed to elucidate the catalytic behavior with the majority triglycerides present in Licuri oil, as follows: caprilyl-dilauryl-glycerol (CyLaLa), capryl-dilauryl-glycerol (CaLaLa), capryl-lauryl-myristoyl-glycerol (CaLaM), and dilauryl-myristoyl-glycerol (LaLaM). The computational simulation results showed that BCL has the potential to preferentially catalyze the major triglycerides present in Licuri oil, demonstrating that CyLaLa, (≈25.75% oil composition) interacts directly with two of the three amino acid residues in its catalytic triad (Ser87 and His286) with the lowest energy (-5.9 kcal/mol), while other triglycerides (CaLaLa, CaLaM, and LaLaM) interact with only one amino acid (His286). In one hard, TLL showed a preference for catalyzing the triglyceride CaLaLa also interacting with His286 residue, but, achieving higher binding energies (-5.3 kcal/mol) than found in BCL (-5.7 kcal/mol). On the other hand, PPL prefers to catalyze only with LaLaM triglyceride by His264 residue interaction. When comparing the computational simulations with the experimental results, it was possible to understand how BCL and TLL display more stable binding with the majority triglycerides present in the Licuri oil, achieving conversions of 50.86 and 49.01%, respectively. These results indicate the production of fatty acid concentrates from Licuri oil with high lauric acid content. Meanwhile, this study also demonstrates the application of molecular docking as an important tool for lipase screening to reach a more sustainable production of fatty acid concentrates from vegetable oils.

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Licuri (Syagrus coronata (Mart.) Becc.) is an ornamental palm tree native of Brazil with great economic potential, because it provides raw material for manufacturing a wide range of products. The objective of this study was to assess the morphology of the fruits, diaspores, seeds, seedlings, and saplings of Syagrus coronata. The study was performed at the Laboratory of Seed Analysis (LSA) of the Federal Rural University of Pernambuco/Academic Unit of Garanhuns-PE, by using licuri fruits collected from the rural area of Caetés-PE. It was evaluated fruit morphology, diaspores, seeds, seedlings and saplings. Germination, in the form of cotyledon petiole emergence, began 15 days after sowing, is hypogeal, cryptocotylar, and remote tubular. It is slow and uneven, extending up to 60 days after the first eophyll appears. The saplings have alternate, pinnate, glabrous, entire leaves with parallel venation and sheath invagination. The primary roots persistent, the secondary roots arise from the stem root node in the primary root, and lateral roots only fasciculate was evidenced when the change was 300 days, and must remain in the nursery for at least 360 days after germination before taking it to the field, due to the slow development of this species.

O licuri (Syagrus coronata (Mart.) Becc.) é uma palmeira ornamental, nativa do Brasil, de grande importância econômica, pois fornece matéria prima para confecção de diversos produtos. Assim objetivou-se estudar a morfologia de frutos, diásporos, sementes, plântulas e mudas de S. coronata. O trabalho foi realizado no Laboratório de Análise de Sementes - (LAS) da Universidade Federal Rural de Pernambuco/Unidade Acadêmica de Garanhuns-PE, com frutos de licuri coletados na zona rural de Caetés-PE. As avaliações realizadas foram: morfologia de frutos, diásporos, sementes, plântulas e mudas. A germinação se inicia aos 15 dias após a semeadura com a protrusão do pecíolo cotiledonar, é hipógea, criptocotiledonar do tipo remota tubular, lenta e desuniforme, estendendo-se até os 60 dias quando ocorre a emissão do primeiro eófilo. A muda possui folhas alternas, com limbo inteiro, glabras, coloração verde e nervuras paralelas, pinadas, com bainha invaginante, a raiz primaria é persistente, as raízes secundárias surgem a partir do nó caulinar radicular na lateral da raiz primária e o sistema radicular fasciculado só foi evidenciado quando a muda estava com 300 dias, e deve permanecer no viveiro no mínimo de 360 dias após a germinação antes de levá-la ao campo, em função do lento desenvolvimento da espécie.

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BACKGROUND: Licuri cake is a biodiesel byproduct and has been tested as an alternative feed additive for use in cattle production. This study analyzed the color, sensory and chemical attributes of burger meat from bovines. Thirty-two young Nellore bulls were used, housed in individual pens and distributed in a randomized experimental design with four treatments: no addition or the addition of 7, 14 or 21% (w/w) licuri cake in the dry matter of the diet. RESULTS: Interactions between the licuri cake level and the physicochemical variables (P > 0.05) were observed. Additionally, an interaction was observed between the licuri cake level and the burger beef color parameter lightness index (L*) (P = 0.0305). The L* value was positively and linearly correlated with the proportion of licuri cake in the diet of young bulls. The level of inclusion of licuri cake did not affect (P > 0.05) the sensory characteristics; the variables were graded between 6 and 7, indicating good overall acceptance. CONCLUSION: Up to 21% (w/w) licuri cake can be included in the diet of young bulls without negatively impacting on beef burger quality. © 2015 Society of Chemical Industry.

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The aims of this study were to determine the critical hydrophile-lipophile balance (HLB) of licuri oil, and to perform a clinical assay to evaluate its hydrating effects. For the determination of the HLB, serial emulsions were prepared with the oil. Regarding the clinical study, 13 human subjects were recruited to evaluate the hydrating power of the emulsified preparation containing licuri oil, and comparing it with the same preparation containing sweet almond oil (SAO). The critical HLB of licuri oil was represented by the zones within the concentrations of 10% for the oil and 15% for the pair of tensoactive agents, with a value of 11.8. Both preparations showed similar hydrating power. We propose that licuri oil can be considered a new lipophilic adjuvant with hydrating characteristics, which can be used in cosmetic preparations, replacing consecrated oils, such as SAO.

O objetivo deste estudo foi determinar o EHL crítico do óleo licuri e realizar um ensaio clínico para avaliar os seus efeitos hidratantes. Para a determinação do EHL foram preparadas emulsões seriadas contendo esse óleo. Em relação ao estudo clínico, avaliamos o poder hidratante de preparação emulsionada com óleo de licuri, comparando-a com a mesma preparação contendo óleo de amêndoas doces (OAD), em 13 voluntários. O EHL crítico do óleo de licuri foi representado pelas zonas dentro das concentrações de 10% para o óleo e 15% para o par de tensoativos, com um valor de 11,8 e ambas as preparações mostraram poder hidratante similar. Desta forma, o óleo de licuri pode ser considerado um novo adjuvante lipofílico com função hidratante, o qual pode ser usado em preparações cosméticas, substituindo óleos de consagrado uso, tais como o OAD.

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