Drug–excipient interactions in ketoprofen: A vibrational spectroscopy study

Ketoprofen (3-benzoyl-alpha-methylbenzeneacetic acid) is a widely used nonsteroidal anti-inflammatory drug (NSAID), always administered in the form of drug-excipient physical mixtures (PMs). The occurrence of possible interactions between ketoprofen and two commonly used excipients-lactose (LAC) and polyvinylpyrrolidone (PVP)-was evaluated, through vibrational spectroscopy techniques [both Raman and Inelastic Neutron Scattering (INS)]. Spectral evidence of drug:excipient close contacts, which were enhanced by aging, was verified for the (1:1) (w:w) (ketoprofen:PVP) and (ketoprofen:LAC) PMs, both by Raman and INS. These interactions were found to involve mainly the central carbonyl and the terminal methyl-carboxylic moieties of the ketoprofen molecule, this being reflected in particular vibrational modes, such as the methyl torsion, the out-of-plane C-OH bending, and the inter-ring C=O stretching

Controle de plantas daninhas em pastagens.

A pecuária bovina brasileira apresenta amplo potencial econômico, com o maior rebanho comercial do mundo, distribuído em vasta extensão territorial e representando grande importância na economia no País (CORRÊA, 2000). Dispondo de aproximadamente 170 milhões de hectares de pastagens tropicais (IBGE, 2007), dos quais mais de 120 milhões de hectares dessas pastagens são cultivadas, e rebanho aproximado de 190 milhões de cabeças, o Brasil tem ocupado, desde os últimos três anos, a posição de maior exportador de carne do mundo. A sustentabilidade da pecuária brasileira está baseada na pastagem, pois 90% da carne produzida no Brasil ocorre em sistemas de produção baseados, exclusivamente, em pasto (BARCELLOS et al., 2001; ANUALPEC, 2004; MACEDO, 2005) que, em relação aos sistemas confinados, conferem menores produtividades, mas oferecem grande vantagem competitiva, permitindo a produção de produtos com baixo custo e de boa qualidade (EUCLIDES et al., 2001). Assim, a rentabilidade da pecuária está diretamente relacionada à qualidade das pastagens, que aliada a fatores como melhoramento genético do rebanho, manejo e execução de programas profiláticos dos animais, dentre outros fatores, ditam as regras para o sucesso da atividade. Os problemas causados pelas invasoras são mais significativos em pastagens com algum grau de degradação, em geral devido ao manejo inadequado. Conforme Mascarenhas et al. (1999), dos 23 milhões de hectares de pastagens cultivadas em área originalmente sob floresta na Amazônia, em torno de 5 milhões de hectares encontram-se degradadas. No centro-oeste, estima-se que mais de 50% das pastagens cultivadas encontram-se degradadas ou em processo de degradação. Dias Filho (1998) relata que, além do manejo da pastagem, a competição imposta pelas plantas daninhas constitui em fator importante no processo da degradação. Pitelli (1989) descreve que o distúrbio provocado pelo pastoreio com carga excessiva de animais acelera a adaptação e a proliferação de algumas espécies daninhas. A aplicação dos diferentes métodos de controle de plantas daninhas em pastagem varia conforme a realidade local, ditada pelas características das invasoras, da pastagem, das condições edafoclimáticas, do tamanho da propriedade e do nível tecnológico empregado. Para a obtenção da eficiência no controle das invasoras, em qualquer situação, o principal requisito é o diagnóstico da comunidade infestante, ou seja, identificação das espécies, densidades e distribuição na área. Esses indicadores irão subsidiar o planejamento e a execução do método mais adequado. Ressalta-se, também, que sob o ponto de vista de controle de invasoras, a pastagem deve ser considerada sempre como uma cultura, tão importante como as produtoras de grãos ou fibra.bitstream/item/56278/1/DOC185-1.pd

On Applying the Lackadaisical Quantum Walk Algorithm to Search for Multiple Solutions on Grids

Quantum computing holds the promise of improving the information processing power to levels unreachable by classical computation. Quantum walks are heading the development of quantum algorithms for searching information on graphs more efficiently than their classical counterparts. A quantum-walk-based algorithm that is standing out in the literature is the lackadaisical quantum walk. The lackadaisical quantum walk is an algorithm developed to search two-dimensional grids whose vertices have a self-loop of weight $l$. In this paper, we address several issues related to the application of the lackadaisical quantum walk to successfully search for multiple solutions on grids. Firstly, we show that only one of the two stopping conditions found in the literature is suitable for simulations. We also demonstrate that the final success probability depends on the space density of solutions and the relative distance between solutions. Furthermore, this work generalizes the lackadaisical quantum walk to search for multiple solutions on grids of arbitrary dimensions. In addition, we propose an optimal adjustment of the self-loop weight $l$ for such scenarios of arbitrary dimensions. It turns out the other fits of $l$ found in the literature are particular cases. Finally, we observe a two-to-one relation between the steps of the lackadaisical quantum walk and the ones of Grover's algorithm, which requires modifications in the stopping condition. In conclusion, this work deals with practical issues one should consider when applying the lackadaisical quantum walk, besides expanding the technique to a wider range of search problems.Comment: Extended version of the conference paper available at https://doi.org/10.1007/978-3-030-61377-8_9 . 21 pages, 6 figure

Conformational insights and vibrational study of a promising anticancer agent: the role of the ligand in Pd(ii)–amine complexes

This study reports the first complete vibrational analysis of a dinuclear polyamine-based compound displaying antitumour properties.</p

Characterization of decavanadate and decaniobate solutions by Raman spectroscopy

The decaniobate ion, (Nb10 = [Nb10O28]6−) being isoelectronic and isostructural with the decavanadate ion (V10 = [V10O28]6−), but chemically and electrochemically more inert, has been useful in advancing the understanding of V10 toxicology and pharmacological activities. In the present study, the solution chemistry of Nb10 and V10 between pH 4 and 12 is studied by Raman spectroscopy. The Raman spectra of V10 show that this vanadate species dominates up to pH 6.45 whereas it remains detectable until pH 8.59, which is an important range for biochemistry. Similarly, Nb10 is present between pH 5.49 and 9.90 and this species remains detectable in solution up to pH 10.80. V10 dissociates at most pH values into smaller tetrahedral vanadate oligomers such as V1 and V2, whereas Nb10 dissociates into Nb6 under mildly (10 > pH > 7.6) or highly alkaline conditions. Solutions of V10 and Nb10 are both kinetically stable under basic pH conditions for at least two weeks and at moderate temperature. The Raman method provides a means of establishing speciation in the difficult niobate system and these findings have important consequences for toxicology activities and pharmacological applications of vanadate and niobate polyoxometalates

Decavanadate, decaniobate, tungstate and molybdate interactions with sarcoplasmic reticulum Ca2+-ATPase: quercetin prevents cysteine oxidation by vanadate but does not reverse ATPase inhibition

Recently we demonstrated that the decavanadate (V10) ion is a stronger Ca2+-ATPase inhibitor than other oxometalates, such as the isoelectronic and isostructural decaniobate ion, and the tungstate and molybdate monomer ions, and that it binds to this protein with a 1 : 1 stoichiometry. The V10 interaction is not affected by any of the protein conformations that occur during the process of calcium translocation (i.e. E1, E1P, E2 and E2P) (Fraqueza et al., J. Inorg. Biochem., 2012). In the present study, we further explore this subject, and we can now show that the decaniobate ion, [Nb10 = Nb10O28]6−, is a useful tool in deducing the interaction and the non-competitive Ca2+-ATPase inhibition by the decavanadate ion [V10 = V10O28]6−. Moreover, decavanadate and vanadate induce protein cysteine oxidation whereas no effects were detected for the decaniobate, tungstate or molybdate ions. The presence of the antioxidant quercetin prevents cysteine oxidation, but not ATPase inhibition, by vanadate or decavanadate. Definitive V(IV) EPR spectra were observed for decavanadate in the presence of sarcoplasmic reticulum Ca2+- ATPase, indicating a vanadate reduction at some stage of the protein interaction. Raman spectroscopy clearly shows that the protein conformation changes that are induced by V10, Nb10 and vanadate are different from the ones induced by molybdate and tungstate monomer ions. Here, Mo and W cause changes similar to those by phosphate, yielding changes similar to the E1P protein conformation. The putative reduction of vanadium(V) to vanadium(IV) and the non-competitive binding of the V10 and Nb10 decametalates may explain the differences in the Raman spectra compared to those seen in the presence of molybdate or tungstate. Putting it all together, we suggest that the ability of V10 to inhibit the Ca2+- ATPase may be at least in part due to the process of vanadate reduction and associated protein cysteine oxidation. These results contribute to the understanding and application of these families of mono- and polyoxometalates as effective modulators of many biological processes, particularly those associated with calcium homeostasis.MA thanks CCMAR; LAEBC and MPMM thank QFM-UC for financial support. CAO is grateful for a QEII fellowship and Discovery Project grant (DP110105530) from the Australian Research Council. WHC acknowledges support from the U.S. Department of Energy Office of Basic Energy Science via grant DE-FG02-05ER15693, the National Science Foundation via EAR-0814242 and an NSF CCI grant through the Center for Sustainable Materials Chemistry, number CHE-1102637

Infrared spectroscopy to assess manufacturing procedures of bone artefacts from the chalcolithic settlement of Vila Nova de São Pedro (Portugal)

Vibrational spectroscopy was applied to study cylindrical engraved bone boxes from the Chalcolithic settlement of Vila Nova de São Pedro (VNSP, Azambuja, Portugal) which has the largest and richest artefact assemblage of Copper Age Western Iberia. The objectives were to reconstitute manufacturing techniques, determine the role of pyrotechnology in the production of cylindrical engraved bone boxes and assess oxygen conditions during burning. Four fragments of cylindrical engraved bone “boxes” from VNSP were used in this research. Anaerobic experimental burn conditions were recreated by using a home-made steel airtight chamber under vacuum. Human bone fragments were burnt at 400–1000 °C for 120–211 min. Fourier-transform infrared spectroscopy analyses were performed on bone powder samples. The resulting spectra and chemometric indices were used as a reference to establish comparisons with the archaeological artefacts. None of these presented spectral features compatible with anaerobic burning. Therefore, aerobic burns were used to achieve the whitish look and were most probably used to attain the darker shade displayed by the artefacts. Artefact manufacturing appears to have relied on bone cutting, bone engraving and maybe polishing, followed by heat treatment. The population from VNSP appears to have been highly specialized in the use of fire to work different raw materials.info:eu-repo/semantics/publishedVersio

Adubação nitrogenada e densidade de semeadura na cultura do milho em plantio direto no Sudeste paraense.

O objetivo do estudo foi avaliar a eficiência da adubação nitrogenada em relação à população de plantas de milho sob o sistema plantio direto no município de Paragominas, no Estado do Pará. O delineamento experimental utilizado para cada experimento foi em blocos casualizados, em esquema fatorial 4 x 4, com três repetições. Assim, avaliou-se na cultura do milho a influência do espaçamento, da densidade populacional e de doses de nitrogênio no teor de nitrogênio nas folhas, número de grãos por espiga, massa de 1.000 grãos e produtividade. O trabalho foi instalado no ano agrícola 2014/2015 e constou de tratamentos representados pela combinação de quatro doses de nitrogênio em cobertura: 0, 60, 120 e 180 Kg.ha&#713;¹, com quatro densidades de plantio: 45.000; 55.000; 65.000 e 75.000 plantas.ha&#713;¹. O aumento nas doses de nitrogênio em cobertura promoveu acréscimo no teor de N foliar, no número de grãos por espiga, na massa de 1.000 grãos e na produtividade, independente do local, espaçamento e na densidade de plantas

Redução de custos na produção de mudas micropropagadas de bananeira cv. Williams.

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Applying assisted reproductive technology and reproductive management to reduce CO2-equivalent emission in dairy and beef cattle: a review.

Methane emission from beef and dairy cattle combined contributes around 4.5-5.0% of total anthropogenic global methane. In addition to enteric methane (CH4) produced by the rumen, cattle production also contributes carbon dioxide (CO2) (feed), nitrous oxide (N2O) (feed production, manure) and other CH4 (manure) to the total greenhouse gas (GHG) budget of beef and dairy production systems. The relative contribution in standard dairy systems is typically enteric CH4 58%, feed 29% and manure 10%. Herds with low production efficiency can have an enteric CH4 contribution up to 90%. Digestibility of feed can impact CH4 emission intensity. Low fertility herds also have a greater enteric CH4 contribution. Animals with good feed conversion efficiency have a lower emission intensity of CH4/kg of meat or milk. Feed efficient heifers tend to be lean and have delayed puberty. Fertility is a major driver of profit in both beef and dairy cattle, and it is highly important to apply multi-trait selection when shifting herds towards improved efficiency and reduced CH4. Single nucleotide polymorphisms (SNPs) have been identified for feed efficiency in cattle and are used in genomic selection. SNPs can be utilized in artificial insemination and embryo transfer to increase the proportion of cattle that have the attributes of efficiency, fertility and reduced enteric CH4. Prepubertal heifers genomically selected for favourable traits can have oocytes recovered to produce IVF embryos. Reproductive technology is predicted to be increasingly adopted to reduce generation interval and accelerate the rate of genetic gain for efficiency, fertility and low CH4 in cattle. The relatively high contribution of cattle to anthropogenic global methane has focussed attention on strategies to reduce enteric CH4 without compromising efficiency and fertility. Assisted reproductive technology has an important role in achieving the goal of multiplying and distributing cattle that have good efficiency, fertility and low CH4