No description available.

The pursuit of agricultural sustainability is necessary to ensure global food security into the future. To achieve sustainability, production systems around the world use different approaches. Utilizing several biological and physical indicators, this study investigates two agricultural production systems and assesses how management has affected the long-term health and sustainability of the soils. The first study assessed the effect of variable intensities of tillage on three Saskatchewan soils under low-disturbance (LD) management for the ten years prior to tillage. The soils represented were in the Grey, Black and Brown soils zones at sites located near Tisdale, Rosthern and Central Butte, Saskatchewan, respectively. A completely randomized block design utilized four treatments of varying tillage intensity. Samples were taken in spring before planting and after harvest at all sites. The soils were analyzed for microbial indicators of health by assessing dehydrogenase, urease, protease, and alkaline phosphatase activities. Microbial biomass carbon (MBC), microbial biomass nitrogen (MBN) and microbial quotient nitrogen (MQN) also were analyzed. Traditional soil nutrient and physical parameters were measured. The tillage intensities affected each parameter differently likely due to the differences in litter quality at each site. The high intensity tillage treatment decreased dehydrogenase activity at Tisdale at May, while in Rosthern dehydrogenase activity was increased in the moderate intensity tillage treatment and decreased by the high intensity tillage treatment. At Central Butte no effect was detected until October when dehydrogenase activity was increased by the low and moderate tillage intensity treatments. Protease and urease activities were affected at Rosthern only where the moderate intensity tillage treatment decreased activity relative to the control treatment. Soil physical parameters were not affected by tillage intensity; however nutrient levels were impacted by the increasing tillage intensity. Specifically, NO3- was reduced at Tisdale and was increased at Rosthern. Phosphate levels were reduced by the high tillage intensity in Rosthern whereas, with increasing tillage, the opposite occurred at Tisdale and Central Butte. The responses were strongly influenced by site characteristics, especially soil zone, organic matter content and surface litter abundance and quality. These effects were short-term, having no long-term impact on the agricultural sustainability or health of the soil, although knowledge of litter condition and quality is agronomically beneficial in order to predict soil responses to intense tillage events. iii The second part of the study was to assess the success of grass terraces on preserving the soil health of hillslope farm plots with Oxisolic soils in southern Ethiopia. Soil erosion has a devastating impact on hillslope agriculture in Ethiopia causing severe land degradation. An adjacent terraced and unterraced hillslope was chosen and sampled, along with a second unterraced slope for comparison. These soils were analyzed for dehydrogenase, alkaline phosphatase, and urease activities, as well as total C and total N. The plots above the terraces [terraced upper and unterraced upper] had higher urease activities than the plots below [terraced lower and unterrraced lower]. The impact of a vegetative strip that had formed a terrace 20 years ago was still evident in consistently higher alkaline phosphatase, urease, and dehydrogenase activities than the other plots. Simple methods of erosion prevention on erosion prone hill-slopes indicated that vegetative strips leading to terracing have a positive effect on soil health and functionality, promoting the long-term agricultural productivity and sustainability of these landscapes.

The pursuit of agricultural sustainability is necessary to ensure global food security into the future. To achieve sustainability, production systems around the world use different approaches. Utilizing several biological and physical indicators, this study investigates two agricultural production systems and assesses how management has affected the long-term health and sustainability of the soils. The first study assessed the effect of variable intensities of tillage on three Saskatchewan soils under low-disturbance (LD) management for the ten years prior to tillage. The soils represented were in the Grey, Black and Brown soils zones at sites located near Tisdale, Rosthern and Central Butte, Saskatchewan, respectively. A completely randomized block design utilized four treatments of varying tillage intensity. Samples were taken in spring before planting and after harvest at all sites. The soils were analyzed for microbial indicators of health by assessing dehydrogenase, urease, protease, and alkaline phosphatase activities. Microbial biomass carbon (MBC), microbial biomass nitrogen (MBN) and microbial quotient nitrogen (MQN) also were analyzed. Traditional soil nutrient and physical parameters were measured. The tillage intensities affected each parameter differently likely due to the differences in litter quality at each site. The high intensity tillage treatment decreased dehydrogenase activity at Tisdale at May, while in Rosthern dehydrogenase activity was increased in the moderate intensity tillage treatment and decreased by the high intensity tillage treatment. At Central Butte no effect was detected until October when dehydrogenase activity was increased by the low and moderate tillage intensity treatments. Protease and urease activities were affected at Rosthern only where the moderate intensity tillage treatment decreased activity relative to the control treatment. Soil physical parameters were not affected by tillage intensity; however nutrient levels were impacted by the increasing tillage intensity. Specifically, NO3- was reduced at Tisdale and was increased at Rosthern. Phosphate levels were reduced by the high tillage intensity in Rosthern whereas, with increasing tillage, the opposite occurred at Tisdale and Central Butte. The responses were strongly influenced by site characteristics, especially soil zone, organic matter content and surface litter abundance and quality. These effects were short-term, having no long-term impact on the agricultural sustainability or health of the soil, although knowledge of litter condition and quality is agronomically beneficial in order to predict soil responses to intense tillage events. iii The second part of the study was to assess the success of grass terraces on preserving the soil health of hillslope farm plots with Oxisolic soils in southern Ethiopia. Soil erosion has a devastating impact on hillslope agriculture in Ethiopia causing severe land degradation. An adjacent terraced and unterraced hillslope was chosen and sampled, along with a second unterraced slope for comparison. These soils were analyzed for dehydrogenase, alkaline phosphatase, and urease activities, as well as total C and total N. The plots above the terraces [terraced upper and unterraced upper] had higher urease activities than the plots below [terraced lower and unterrraced lower]. The impact of a vegetative strip that had formed a terrace 20 years ago was still evident in consistently higher alkaline phosphatase, urease, and dehydrogenase activities than the other plots. Simple methods of erosion prevention on erosion prone hill-slopes indicated that vegetative strips leading to terracing have a positive effect on soil health and functionality, promoting the long-term agricultural productivity and sustainability of these landscapes.

No description available.

Thesis (Ph.D)--Murdoch University, 2004. / Thesis submitted to the Division of Science and Engineering. Includes bibliographical references (leaves 136-144).

Zugl.: Hohenheim, Univ., Diss., 2008.

Ureases (uréia amino-hidrolases; EC 3.5.1.5) são metaloenzimas níquel-dependentes, que catalisam a hidrólise da uréia à amônia e dióxido de carbono. Elas são produzidas por fungos, bactérias e plantas, mas não por animais. A soja produz duas isoenzimas, a urease ubíqua, que é codificada pelo gene Eu4, presente em pequenas quantidades em todos os tecidos da planta, e a urease embrião-específica, codificada pelo gene Eu1, que é sintetizada apenas no embrião em desenvolvimento. A urease ubíqua é responsável pela biodisponibilização de nitrogênio para planta, enquanto o papel da embrião-específica permanece desconhecido. Estudos prévios, sugerem que esta urease possa estar envolvida na defesa da planta.Como a urease ubíqua é encontrada em pequenas quantidades em todos tecidos da planta, tornando difícil sua obtenção, pouco é conhecido sobre esta enzima. No presente trabalho, estabeleceu-se um sistema de expressão e purificação parcial da urease ubíqua recombinante, expressa como uma proteína fusionada a uma cauda de glutationa-S-transferase (GST). O gene da urease foi amplificado por PCR e ligado em plasmídeo pGEX-4T-2 e expresso em Escherichia coli BL21 (DE3). A urease recombinante foi parcialmente purificada em resina de afinidade Glutationa Sepharose 4B, obtendo-se um rendimento de aproximadamente 2 mg/L de cultura. A proteína recombinante foi analisada para atividade enzimática e imunorreatividade para anticorpos contra urease de Canavalia ensiformis.O sucessodeste método de expressão da urease ubíqua da soja, permitirá a produção de quantidades suficientes desta proteína para estudos posteriores de caracterização. / Urease (EC 3.5.1.5, urea amidohydrolase) is a nickel-dependent metalloenzyme, that catalyzes the hydrolysis of urea to form ammonia and carbon dioxide. Ureases are produced by many organisms, including plants, fungi and bacteria. Soybean produces two isoenzymes, the ubiquitous urease, which is encoded by Eu4 gene and is present in small amounts in all plant tissues, and the embryo-specific urease, which is encoded by the Eu1 gene, and is synthesized only in the developing embryo. The ubiquitous urease is responsible for recycling metabolically derived urea while the role of the embryo-specific urease remains unkown. Previous studies had suggested that the embryo-specific urease could be involved in plant defense. Since the ubiquitous urease is found in low amounts in plant tissues making difficult to purify the enzyme, little is known about this protein.In the present work, a system for the expression and partial purification of soluble soybean ubiquitous urease was established expressing a protein fusioned with glutathione S- transferase (GST). The urease gene amplified by PCR was inserted into a pGEX-4T-2 GST fusion vector and then expressed in Escherichia coli BL21 (DE3). The recombinant urease was partially purified by a Glutathione Sepharose 4B affinity chromatography, yielding about 2 mg protein/L of culture broth. The recombinant protein was tested for enzymatic activity and imunoreactivity against anti Canavalia ensiformis antibodies. Successful expression of ubiquitous urease in E. coli provides a way to produce this protein in amounts enough for posterior studies and characterization.

Submitted by Marco Antônio de Ramos Chagas (mchagas@ufv.br) on 2017-05-16T11:36:15Z No. of bitstreams: 1 texto completo.pdf: 741473 bytes, checksum: 0130fcb9fda52745c298570474eb72a4 (MD5) / Made available in DSpace on 2017-05-16T11:36:15Z (GMT). No. of bitstreams: 1 texto completo.pdf: 741473 bytes, checksum: 0130fcb9fda52745c298570474eb72a4 (MD5) Previous issue date: 2015-07-27 / Conselho Nacional de Desenvolvimento Científico e Tecnológico / A ureia pode apresentar baixa eficiência agronômica quando aplicada na superfície do solo, fato atribuído à intensa volatilização de NH 3 . Devido à predominância da ureia no mercado de fertilizantes nitrogenados, nas últimas décadas, tem-se buscado alternativas para o controle da hidrólise de ureia e, assim, prolongar o fornecimento de N para a absorção das culturas. Inibidores da urease tem recebido a maior parte da atenção, particularmente N-(n-butil) tiofosfórico triamida (NBPT) que é comercializado como Agrotain ® . Alternativamente, cobre e zinco podem ser utilizados para inibir a atividade da urease, tendo a vantagem de fornecer micronutrientes as plantas. Outra alternativa que vem sendo estudada é o emprego de compostos com elevada CTC e com alto poder tampão de acidez, como o carvão oxidado, com o propósito de prolongar a disponibilidade do NH 4+ no solo proveniente da hidrólise da ureia. A eficiência do carvão oxidado (OCh, 150 g kg -1 fertilizante) foi avaliado quando aplicado com ou sem Cu e/ou Zn (~0,5-2 g kg -1 fertilizante) em relação ao uso de ureia sem alterações, para aumentar a absorção de N pela forrageira Capim-mombaça (Panicum maximum). A forragem foi cultivada em casa de vegetação em Latossolo de textura média, sendo o material vegetal colhido aos 5, 14, 28, 42 e 56 dias após a aplicação superficial de 15 N na forma de grânulos de ureia com ou sem OCh, enriquecido ou não com Cu e/ou Zn, para determinação da produção da matéria seca, do teor e conteúdo de N e de 15 N nas plantas proveniente da ureia. Amostras de solo foram também coletadas em conjunto com a primeira e quarta colheita do material vegetal, para determinação da concentração das frações trocáveis de NH 4+ e NO 3 ‒ . Nas condições estudadas, a produção de matéria seca não foi afetada pelo uso de OCh com Cu e/ou Zn; no entanto, a disponibilidade de NH 4+ foi prolongada pela presença de OCh. A aplicação da ureia com Zn aumentou significativamente a absorção pelas plantas de N-ureia e o uso eficiente do N, presumivelmente refletindo a interação antagonista de Zn com superfosfato que foi aplicado para prevenir a deficiência de P. Também foi feita uma comparação dos efeitos de OCh e NBPT na transformação de N-ureia no solo. Para este propósito, quatro solos com diferentes texturas e CTC foram incubados durante 0, 1, 3, 7 e 14 dias após a aplicação de 15 N-ureia misturada ou não com OCh (150 g kg -1 fertilizante) ou NBPT (0,5 g kg -1 fertilizante). Após cada período de incubação, foi determinada a recuperação do 15 N na forma de NH 3 volatilizada, do N trocável (NH 4+ , NO 3 ‒ e NO 2 ‒ ) e do N imobilizado. O OCh teve pouco efeito sobre qualquer parâmetro medido; no entanto, a eficácia do NBPT no retardamento da hidrólise da ureia conduziu a um acúmulo gradual de NH 4+ que reduziu a volatilização de NH 3 , o acumulo de NO 2 ‒ e a imobilização de N- ureia. / Urea fertilizer can have a low agronomic efficiency when applied to the soil surface, due to N losses through NH 3 volatilization. Because of the predominance of urea in the commercial fertilizer market in recent decades, different approaches have been proposed for controlling the hydrolysis of urea and thus prolong the availability and supply of N for crop uptake. Urease inhibitors have received most of the attention, particularly N- (n-butyl) thiophosphoric triamide (NBPT) that is marketed as Agrotain ® . Alternatively, copper and zinc can be used to inhibit urease activity, which has the advantage of supplying plant-essential micronutrients. Another possibility, currently under investigation, is the use of compounds with high CEC and buffering capacity, such as oxidized charcoal, to prolong the availability of NH 4+ released in soil by urea hydrolysis. The efficiency of oxidized charcoal was assessed (OCh, 150 g kg -1 fertilizer) when applied with or without Cu and/or Zn (~ 0.5-2 g kg -1 fertilizer), relative to the use of unamended urea, for increasing N uptake by Capim-mombaça (Panicum maximum). The forage was grown in a greenhouse on a coarse-textured Oxisol, and plant material was harvested 5, 14, 28, 42 and 56 days after surface application of 15 N urea granules with or without OCh, used alone or with Cu and/or Zn, for measurement of dry matter production, total N uptake and 15 N recovery. Soil samples were also collected along with the first and fourth harvests, to determine exchangeable NH 4+ and NO 3 ‒ concentrations. Under the conditions studied, dry matter production was unaffected by the use of OCh with Cu and/or Zn; however, NH 4+ availability was prolonged by the presence of OCh. The application of Zn with urea significantly increased plant uptake of urea N and N use efficiency, presumably reflecting the antagonistic interaction of Zn with superphosphate that was applied to prevent P deficiency. A comparison was made of the effects of OCh and NBPT on the transformation of urea N in the soil. For this purpose, four soils differing in texture and CEC were incubated for 0, 1, 3, 7 and 14 days after application of pelletized 15 N urea applied with or without OCh (150 g kg -1 fertilizer) or NBPT (0.5 g kg -1 fertilizer). After each incubation period, 15 N recovery was determined as volatilized NH 3 , exchangeable NH 4+ , (NO 3 ‒ + NO 2 ‒ )-N and immobilized organic N. The OCh had little effect on any parameter measured; however, the efficacy of NBPT in retarding urea hydrolysis led to a gradual accumulation of NH 4+ that reduced NH 3 volatilization, the accumulation of NO 2 ‒ and immobilization of urea N.

Submitted by Reginaldo Soares de Freitas (reginaldo.freitas@ufv.br) on 2016-05-05T09:20:35Z No. of bitstreams: 1 texto completo.pdf: 2750497 bytes, checksum: c3824fc283ba918e5789bb6cb08f5b88 (MD5) / Made available in DSpace on 2016-05-05T09:20:35Z (GMT). No. of bitstreams: 1 texto completo.pdf: 2750497 bytes, checksum: c3824fc283ba918e5789bb6cb08f5b88 (MD5) Previous issue date: 2014-12-08 / Os γ-alquilidenobutenolídeos são unidades estruturais presentes em muitos compostos naturais e sintéticos responsáveis pelas diversas atividades biológicas, incluindo fitotoxicidade e citotoxicidade. A primeira parte deste trabalho refere-se à síntese de dois novos γ-alquilidenobutenolídeos, os quais foram submetidos à avaliação de suas atividades como inibidores da urease. O material de partida, o ácido mucobrômico (21), foi reduzido com boroidreto de sódio, e após acidificação obteve-se a lactona 3,4-dibromofuran-(5H)-ona (22) em 87% de rendimento. A lactona (22) foi submetida a um acoplamento cruzado por meio da reação de Suzuki- Miyaura, utilizando os ácidos 5-bromo-2-metoxifenilborônico e 5-cloro-2- metoxifenilborônico, e produzindo os compostos 3-bromo-4-(5-bromo-2-metoxifenil) furan-2(5H)-ona (23) e 3-bromo-4-(5-cloro-2-metoxifenil)furan-2(5H)-ona (24), em 41,0% e 57,0% de rendimento, respectivamente. O composto (23) foi submetido a uma reação de alquilidenação com 3,4-dimetoxibenzaldeído, obtendo-se o composto (Z/E)-3-bromo-4-(5-bromo-2-metoxi-fenil)-5-(3,4-dimetoxibenzilideno)furan-2(5H)-ona (25), em 75% de rendimento. Finalmente, o composto (25) foi submetido a uma reação para remoção dos grupos metila com BBr3, obtendo-se o composto (Z/E)-3- bromo-4-(5-bromo-2-hidroxifenil)-5-(3,4-dihidroxibenzilideno)furan-2(5H)-ona (26) em 90% de rendimento. O composto (26), na concentração de 500 μM, causou 100% de inibição da urease comparado com o padrão tiouréia; já o composto (25), na mesma concentração, foi bem menos ativo, causando apenas, 29% de inibição da urease. Na segunda parte do trabalho, buscou-se sintetizar γ-alquilidenobutenolídeos mediante a reação de condensação entre aldeídos e butenolídeos simples. Iniciamos nosso estudo partindo da 3,4-dibromofuran-(5H)-ona (22), 3,4- diclorofuran(5H)-ona (15) e furan-2(5H)-ona (37), juntamente com o benzaldeído (38) e o 2-clorobenzaldeído (39). Diversas condições reacionais foram testadas e verificou-se que as melhores condições para a condensação envolvem o uso de metanol como solvente e carbonato de sódio como base. Nesses experimentos, foram obtidos os intermediários 3,4-dibromo-5-[(2-clorofenil)hidroximetil]furan-2(5H)- ona (30) e 3,4-dicloro-5-[(2-clorofenil)hidroximetil]furan-2(5H)-ona (32), ambos em 40,0% respectivamente. Para avaliar a influência do impedimento estérico causado pelo substituinte no carbono 4 da lactona, a reação foi realizada com o butenolídeo bromado (23). Nesse caso, obteve-se um composto não esperado identificado como [4-(5-bromo-2-metoxifenil)]-5-metoxifuran-2(5H)-ona (36), com 74,0% de rendimento. Todos os compostos foram caracterizados pelas técnicas de espectroscopia no infravermelho (IV), ressonância magnética nuclear (RMN) de 1H e de 13C, técnicas bidimensionais como COSY e HSQC e por espectrometria de massas (EM). / γ-alkylidenebutenolides are structural units present in many natural and synthetic compounds, for which diverse biological activity have been reported, including phytotoxicity and cytotoxicity. The first part of this study refers to the synthesis of two new γ-alkylidenebutenolides which were submitted to an investigation of its activity as urease inhibitors. The starting material mucobromic acid (21) was reduced with sodium borohydride and, after acidification, lactone 3,4-dibromufuran-2(5H)-one (22) was obtained in 87% yield. Compound (22) was then submitted to a Suzuki-Miyaura cross-coupling utilizing 5-bromo-2-methoxyphenylboronic and 5-cloro-2- metoxyphenylboronic acids. From those reactions, compounds 3-bromo-4-(5-bromo- 2-methoxyphenyl) furan-2(5H)–one (23) and 3-bromo-4-(5-chloro-2- methoxyphenyl)furan-2(5H) –one (24) were obtained in 41.0 % and 57.0% yields, respectively. Compound (23) was submitted to alkylidenation reaction with 3,4- dimethoxybenzaldehyde, affording the compound (Z/E)-3-bromo-4-(5-bromo-2- methoxyphenyl)-5-(3,4-dimethoxybenzylidene)furan-2(5H)-one (25) in 75% yield. Finally (25) was treated with BBr3 in order to remove the methyl groups, leading (26) in 90% of efficiency. When tested at 500 μM, compound (26) caused 100% of inhibition of urease when compared to the control, while compound (25) was less active, causing only 29% of inhibition of urease. The second part of this study consisted in synthesize γ-alkylidenebutenolides by a reaction of condensation between aldehydes and simple butenolides. We started from 3,4-dibromofuran-5(5H)-one (22), 3,4-dichlorofuran(5H)-one (15) and furan-2(5H)-one (37) and the carbonyl compounds benzaldehyde (38) and 2- chlorobenzaldehyde (39). Several reaction conditions were tested and it was verified that the best conditions for this condensation involved the use of methanol as a solvent and sodium carbonate as base. In these experiments, 3,4-dibromo-5-((2- chlorophenyl)(hydroxy)methyl)furan-2(5H)-one (30) and 3,4-dichloro-5-((2- chlorophenyl)(hydroxy)methyl)furan-2(5H)-one (32) were obtained as intermediate compounds, both in 40.0% yield. In order to evaluate the hysteric hindrance caused by the substitute attached to carbon 4 of the lactone ring, the reaction was performed with brominated butenolide (23). In this case, the unexpected compound 4-(5-bromo- 2-methoxyphenyl)-5-methoxyfuran-2(5H)-one (36) was formed in 74.0% yield. All compounds were characterized by spectroscopic infrared techniques (IR), nuclear magnetic resonance (NMR) of 1H and 13C, bidimensional techniques as COSY andHSQC and mass spectrometry (MS).

Submitted by Reginaldo Soares de Freitas (reginaldo.freitas@ufv.br) on 2016-05-05T11:39:09Z No. of bitstreams: 1 texto completo.pdf: 7385250 bytes, checksum: 2983ca16275fda4bacce5f9621eb5a0f (MD5) / Made available in DSpace on 2016-05-05T11:39:09Z (GMT). No. of bitstreams: 1 texto completo.pdf: 7385250 bytes, checksum: 2983ca16275fda4bacce5f9621eb5a0f (MD5) Previous issue date: 2014-12-15 / Fundação de Amparo à Pesquisa do Estado de Minas Gerais / Os fosforamidatos são uma classe de compostos que apresentam pelo menos um grupo –NR1R2 (R1 e R2 = alquila, arila) em suas estruturas. Relatos na literatura evidenciam diversas atividades biológicas, seja na área médica, agrícola ou industrial para esses compostos. O presente trabalho teve por objetivo sintetizar novos fosforamidatos, visando à avaliação de suas atividades fitotóxica e inibitória de urease. A síntese baseou-se em fenóis substituídos como material de partida. O tratamento dos fenóis com cloreto de fosforila na presença de trietilamina forneceu os respectivos compostos organofosfatos diclorados. A subsequente reação destes organofosfatos com aminas na presença de trietilamina resultou na formação de 19 compostos fosforamidatos. Estes compostos foram reunidos com mais 12 substâncias dessa classe sintetizados no Laboratório de Síntese e Análise de Agroquímicos e suas atividades biológicas foram avaliadas contra Sorghum bicolor e Cucumis sativus. Os compostos tris(4-bromofenil)fosfato e 4-fluorofenil-N,N ́-dimorfolin- 1-ilfosfinato apresentaram valores de inibição superiores ao observado para o Glifosato sobre S. bicolor, enquanto que para C. sativus os mais ativos foram os compostos 4-clorofenil-di(piperidin-1-il)fosfinato e bis(3-clorofenil)- dietilfosforamidato, que apresentaram 82 e 83% de inibição, respectivamente, sobre o sistema aéreo na maior concentração (1 mmol L-1). Essas substâncias também tiveram suas atividades avaliadas contra a inibição de urease. Das 25 substâncias testadas, seis apresentaram atividade comparável ou superior ao controle positivo (tiouréia), sendo que o composto bis(4-bromofenil)-N- cicloexilamidofosfato parece ser o mais promissor. As propriedades ADMET previstas para estes fosforoamidatos estão de acordo com os requisitos gerais para potenciais fármacos, confirmando que estes compostos possuem propriedades físico-químicas que os qualificam para apresentarem satisfatórias farmacocinética e biodisponibilidade. Além disso, não foram observadas violações da regra de Lipinski para a maioria dos fosforoamidatos. A relação estrutura-atividade analisada para as 25 substâncias sugere que a presença do grupo cicloexila é uma característica estrutural importante associada com a atividade inibitória apresentada pelos compostos contra a enzima. Cálculos baseados na teoria de funcional da densidade foram realizados para obtenção dos valores de energia de HOMO e LUMO, momento de dipolo molecular e potencial eletrostático dos compostos avaliados. Descrevemos ainda neste trabalho um estudo experimental e teórico combinando estrutura molecular e RMN dos fosforoamidatos furano-2-il-N,N- diisopropilamidoclorofosfato e furan-2-il-N,N,N ́,N ́-diciclohexilamidofosfato. Na escala de tempo da RMN uma rotação livre das ligações simples C-N/P-N foi observada em temperatura ambiente (298 K), enquanto que a rotação é interrompida abaixo de 195 K para o furano-2-il-N,N- diisopropilamidoclorofosfato. A partir das análises dos dados da RMN, a energia de ativação livre (G#) para a rotação das ligações C-N/P-N foi calculada como 9,9 ± 0,3 kcal mol-1. Os dados experimentais foram reforçados por cálculos teóricos utilizando o método da teoria da densidade funcional B3LYP e conjunto de bases 6-31G(d) que forneceu energia de ativação (E#) igual a 9,2 kcal mol-1. As estruturas dos compostos foram investigadas por difração de raios-X, e verificou-se que o furano-2-il-N,N- diisopropilamidoclorofosfato está na forma de mistura racêmica. Por fim, foram determinados os deslocamentos químicos de RMN de 1H e 13 C para três fosforamidatos empregando-se cálculos DFT, nos níveis B3LYP, WP04, TPSSh, M062X and wB97XD, e diferentes bases, levando-se em consideração a distribuição de Boltzamann para cada confôrmero. Os valores experimentais foram comparados com os teóricos e avaliados usando correlação linear, erro absoluto médio, desvio médio quadrático. Para o caso do RMN de 13 C, os resultados obtidos com GIAO/wB97XD/cc-pVTZ/SCRF apresentaram o menor RMSD (2,073), mas requerendo maior tempo de processamento. O melhor custo-benefício neste caso foi obtido empregando-se GIAO/B3LYP/6-31G(d,p)/SCRF que forneceu o valor de desvio médio quadrático igual a 2,121 a um custo de CPU vinte e seis vezes menor. No caso do RMN de 1H a combinação CSGT/TPSSh/cc-pVTZ/SCRF forneceu o valor de desvio médio quadrático igual a 0,070. Reduzindo o tempo computacional uma vez e meia (CSGT/B3LYP/6-311++G(2d,p)/SCRF) foi possível obter um bom resultado (desvio médio quadrático igual a 0,088). De modo geral, avaliando-se os parâmetros estatísticos, o método que se mostrou mais adequado a essa classe de compostos foi CSGT/wB97XD/cc-pVTZ/SCRF. / Phosphoramidates is a class of compounds which has at least one -NR1R2 group in its structure (R1 and R2 = alkyl, aryl). Reports in the literature show that these compounds have several biological activities, whether in medical, agricultural or industrial area. This study aimed to synthesize new phosphoramidates in order to evaluate their phytotoxic and urease inhibitory activities. Substituted phenols were used as starting material in the synthesis route. The reaction of phenols with phosphoryl chloride, in the presence of trimethylamine, provided the respective dichlorinated organophosphates compounds. The subsequent reaction of these organophosphates with amines and trimethylamine resulted in the formation of 19 phosphoramidate compounds. These compounds were combined with 12 other substances previously synthetized at “Laboratório de Síntese e Análise de Agroquímicos”. Their biological activities were evaluated for Sorghum bicolor and Cucumis sativus. Compunds tris(4-bromophenyl)phosphate and 4-fluorophenyl-N,N'-dimorfolin-1- ylphosphinate showed higher inhibition values than glyphosate over Sorghum bicolor. For C. sativus, the most active compounds were 4-chlorophenyl- di(piperidin-1-yl)phosphinate and bis(3-chlorophenyl)-diethylphosphoramidate with 82 and 83% of inhibition, respectively. This is the result for the aerial system at the higher concentration (1 mmol L-1). These substances were also tested for urease inhibition. From the 25 tested substances, six had their activity comparable to or higher than the positive control (thiourea). From all the tested compounds, bis(4-bromophenyl)-N-cyclohexylaminophosphate seems to be the most promising molecule. The predicted ADMET properties for these phosphoramidates are in accordance with the general requirements for potential drugs. This fact confirms that these compounds have the physicochemical properties that qualify them to present satisfactory pharmacokinetics and bioavailability. Furthermore, there were no violations of Lipinski rule for most phosphoramidates. The analyzed structure-activity relationship of the 25 substances suggests that the presence of the cyclohexyl group is an important structural feature for the inhibitory activity showed by these compounds against the enzyme. Calculations based on density functional theory were carried out to obtain the energy values of HOMO and LUMO, molecular dipole moment, and electrostatic potential for the evaluated compounds. This work also presents an experimental and theoretical study combining NMR and molecular structure of the diisopropylamidochlorophosphate phosphoramidates and furan-2-yl-N,N- furan-2-yl-N,N,N',N'- dicyclohexylamidophosphate. On a time dependent NMR study, a free rotation was observed for the single bonds C-N/P-N at room temperature (298 K). However, this rotation is not observed at temperatures lower than 195 K for furan-2-yl-N,N-diisopropylamidochlorophosphate. Based on the NMR data, the free activation energy (G#) for the rotation of C-N/P-N bonds was calculated as 9.9 ± 0.3 kcal mol-1. The experimental data was supported by theoretical calculations using the density functional theory B3LYP method and the 6- 31G(d) basis set, which provided an activation energy (E#) of 9.2 kcal mol-1. The structures of the compounds were investigated by X-ray diffraction, and it was found that furan-2-yl-N,N-diisopropylamidochlorophosphate is in the form of racemic mixture. Ultimately, it was determined the 1H and 13 C NMR chemical shifts for three phosphoramidates employing DFT calculations on B3LYP, WP04, TPSSh, M062X, wB97XD levels and different bases. The distribution for each Boltzmann conformer was taken into consideration. The experimental and theoretical values were compared and evaluated using linear correlation, mean absolute error and root-mean-square deviation (RMSD). For 13 C NMR, the results obtained with GIAO/wB97XD/cc-pVTZ/SCRF showed the lowest RMSD (2.073), but requiring more processing time. The best cost-benefit was obtained employing GIAO/B3LYP/6-31G(d,p)/SCRF, which provided RMSD value of xxv 2.121 with a twenty-six times smaller CPU cost. For 1H NMR, the combination CSGT/TPSSh/cc-pVTZ/SCRF provided a RMSD value of 0.070. Reducing the computational time by a factor of one and a half (CSGT/B3LYP/6- 311++G(2d,p)/SCRF), it was possible to obtain a good result (RMSD of 0.088). In general, after evaluating the statistical parameters, the method that was more suitable for this class of compounds was CSGT/wB97XD/cc-pVTZ/SCRF.