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Dopamine is an important neurotransmitter that regulates numerous essential functions, including cognition and voluntary movement. As such, it serves as an important scaffold for synthesis of novel analogues as part of drug development effort to obtain drugs for treatment of neurodegenerative diseases, such as Parkinson's disease. To that end, similarity search of the ZINC database based on two known dopamine-1 receptor (D1R) agonists, dihydrexidine (DHX) and SKF 38393, respectively, was used to predict novel chemical entities with potential binding to D1R. Three compounds that showed the highest similarity index were selected for synthesis and bioactivity profiling. All main synthesis products as well as the isolated intermediates, were properly characterized. The physico-chemical analyses were performed using HRESIMS, GC/MS, LC/MS with UV-Vis detection, and FTIR, 1H NMR and 13C NMR spectroscopy. Binding to D1 and D2 receptors and inhibition of dopamine reuptake via dopamine transporter were measured for the synthesized analogues of DHX and SKF 38393.

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Abstract Percutaneous kidney biopsyin transplanted kidneys remains an essential and commonly performed procedure required for diagnostic and prognostic information. Hemorrhage is the main complication of renal graft biopsy. We report a case of a 47-year-old caucasian womanadmitted to perform an ultrasound(US)-guided biopsy of the renal graft. Six hours later, she presented with macroscopic hematuriawhichimproved after urethral catheterization and intravenous hydration. However the hematuria reappeared associated with anemia and worsening of the serum creatinine value. The US study, revealed hydronephrosis with high Doppler derived renal resistive index compatible with clot obstruction.Despite the vesical lavage with drainage of several clots, the patient rapidly progressed to hemorrhagic shock with worsening of renal function. Pelvic computed tomography (CT) revealed calyx and pelvis duplicity and ureter bifidity which merged into a single ureter and inserted into the right anterolateral wall of the bladder. The inferior ureter was enlarged due to an obstructive clot. Most acute obstructive uropathies are associated with significant pain or the abrupt diminution of urine flow. The presence of ureter bifidity in the CT study explained the maintenance of significantdiuresis despite obstruction, located only to the lower ureter but with sufficient functional impact to condition acute kidney injury (AKI).

Resumen La biopsia renal percutánea en riñones trasplantados sigue siendo un procedimiento esencial y común, necesario para obtener información diagnóstica y pronóstica. La hemorragia es la principal complicación de la biopsia de injerto renal. Presentamos un caso de una mujer caucásica de 47 años, quien fue hospitalizada para la realización de una biopsia de injerto renal guiada por ultrasonido (US). Seis horas después, presentó hematuria macroscópica que mejoró después de la cateterización uretral e hidratación intravenosa. Sin embargo, la hematuria reapareció asociada con anemia y empeoramiento del valor sérico de creatinina. El estudio de US reveló, mediante Doppler, una hidronefrosis con alto índice de resistencia renal, compatible con obstrucción por un coágulo. A pesar del lavado vesical con drenaje de varios coágulos, la paciente progresó rápidamente a choque hemorrágico con empeoramiento de la función renal. La tomografía computarizada (TC) pélvica reveló la duplicidad del cáliz y la pelvis y la bifidez ureteral, que se fusionó en un solo uréter y se insertó en la pared anterolateral derecha de la vejiga. El uréter inferior se agrandó debido a un coágulo obstructivo. La mayoría de las uropatías obstructivas agudas están asociadas con dolor significativo o la disminución abrupta del flujo de orina. La presencia de la bifidez del uréter en el estudio de TC explicó el mantenimiento de una diuresis significativa a pesar de la obstrucción, localizada solo en el uréter inferior, pero con suficiente impacto funcional como para provocar insuficiencia renal aguda (IRA).

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A chiral derivatizing agent (CDA) with the aldehyde function has been widely used in discriminating chiral amines because of the easy formation of imines under mild conditions. There is a preference for the use of cyclic aldehydes as a CDA since their lower conformational flexibility favors the differentiation of the diastereoisomeric derivatives. In this study, the imines obtained from the reaction between (S)-citronellal and the chiral amines (sec-butylamine, methylbenzylamine, and amphetamine) were analyzed by the nuclear Overhauser effect (NOE). Through NOE, it was possible to observe that the ends of the molecules were close, suggesting a quasi-folded conformation. This conformation was confirmed by theoretical calculations that indicated the London forces and the molecular orbitals as main justifications for this conformation. This conformational locking explains the good separation of 13C NMR signals between the diastereomeric imines obtained and, consequently, a good determination of the enantiomeric excess using the open chain (S)-citronellal as a CDA.

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The global demand for polystyrene is supposed to reach an overall baseline of 23.5 million tons by 2020. The market has experienced the effects of such growth, especially regarding the environmental performance of the production processes. In Brazil, renewable assets have been used to overcome the adverse consequences of this expansion. This study evaluates this issue for the production of Brazilian polystyrene resins, general-purpose polystyrene (GPPS) and high-impact polystyrene (HIPS). The effects of replacing fossil ethylene with a biobased alternative are also investigated. Life Cycle Assessment is applied for ten scenarios, with different technological approaches for renewable ethylene production and an alternative for obtaining bioethanol, which considers the export of electricity. The fossil GPPS and HIPS show a better performance than the partially renewable sources in terms of Climate Change (CC), Terrestrial Acidification (TA), Photochemical Oxidant Formation (POF), and Water Depletion (WD). The exception is Fossil Depletion (FD), a somewhat predictable result. The main environmental loads associated with the renewable options are related to the sugarcane production. Polybutadiene fails to provide greater additional impact to HIPS when compared to GPPS. With regard to obtaining ethylene from ethanol, Adiabatic Dehydration (AD) technology consumes less sugarcane than Adiabatic Dehydration at High Pressure (ADHP), which leads to gains in TA and POF. In contrast, ADHP was more eco-friendly for WD because of its lower water losses and in terms of CC because of the advantageous balance of fossil CO2(eq) at the agricultural stage and the lower consumption of natural gas in ethylene production. The electricity export is an auspicious environmental opportunity because it can counterbalance some of the negative impacts associated with the renewable route. According to a "cradle-to-grave" perspective, the partially renewable resins show a more favorable balance of carbon. This difference increases when sequestration and biogenic carbon emissions are considered.

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The use of liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) in dereplication studies of medicinal plants is a common strategy, but the analyses of polyacetylenes by LC-ESI-MS are little explored and require huge efforts, especially if there are low concentrations in the extracts. A post-column sodiation strategy was successfully applied to enhance the detection of polyacetylene glycosides. Their molecular formulae were proposed by HRESI, whereas the polyacetylene chromophores were determined by UV data. The use of acetic acid in the mobile phase was essential to obtain satisfactory chromatographic resolution, and only the addition of sodium chloride solution allowed good mass spectra, internal calibration and undoubtedly the molar mass determination of polyacetylenes. This new approach has allowed the identification of polyacetylene glycosides from Bidens gardneri extract, guiding the isolation procedures, and two new compounds were obtained. The structures of the isolated polyacetylenes have been confirmed by 1D and 2D NMR, HRMS.

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The objective of this study was to evaluate anti-inflammatory and antimicrobial activities of neovestitol and vestitol isolated from Brazilian red propolis (BRP). BRP ethanolic extract (EEP), neovestitol, and vestitol were evaluated by anti-inflammatory properties using a neutrophil migration assay. The antimicrobial activity was evaluated by minimal inhibitory and bactericidal concentrations (MIC and MBC) against Streptococcus mutans , Streptococcus sobrinus , Staphylococcus aureus , and Actinomyces naeslundii . Neovestitol, vestitol, and EEP inhibited neutrophil migration at a dose of 10 mg/kg. Regarding antimicrobial activity, neovestitol showed MICs ranging from <6.25 to 25-50 µg/mL and MBCs ranging from 25-50 to 50-100 µg/mL, while vestitol showed MICs ranging from 25-50 to 50-100 µg/mL and MBCs ranging from 25-50 to 50-100 µg/mL. Both isoflavonoids neovestitol and vestitol are consistent bioactive compounds displaying anti-inflammatory and antimicrobial activities that can strongly act in a low dose and concentration and have a promising potential to be applied in the pharmaceutical and food industries.

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A series of 3(2H)-furanones, based on side-chain modifications of a parent 3(2H)-furanone, was synthesized in good yield. The parent compound was prepared by hydrogenolysis, and subsequent acid hydrolysis, of isoxazole derivatives. The isoxazole was prepared by a [3+2] 1,3-dipolar cycloaddition reaction between 3-butyn-2-ol and nitrile oxide.

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Chemical study of three medicinal plants: from leaves of Piper renitens (Miq.) Yunck, Piperaceae, and Siparuna guianensis Aubl., Siparunaceae, and from flowers of Alternanthera brasiliana (L.) Kuntze, Amaranthaceae, resulted in isolation of nine compounds: three steroids, β-sitosterol, stigmasterol from P. renitens and sitosterol-3-O-β-D-glucopyranoside from A. brasiliana, the diterpene kaurane ent-kauran-16α,17-diol from P. renitens, two derivatives kaempferol-methylether, kumatakenine (kaempferol-3,7-dimethylether) and kaempferol-3,7,3'-trimethylether from S. guianensis and three flavones, crysoeriol (5,7,4'-trihydroxy-3'-methoxyflavone), tricin (5,7,4'-trihydroxy-3',5'-dimethoxyflavone) and 7-O-β-D-glucopyranoside-5,4'-dihydroxy-3'-methoxyflavone from A. brasiliana. Compounds structures were determinate using 1D and 2D ¹H NMR and 13C spectral data, mass and IR spectra, comparing with literature data.

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2D DOSY 1H NMR has proved to be a useful technique in the identification of the molecular skeleton of the four major compounds of ethyl acetate extract of aerial parts of Bidens sulphurea (Asteraceae). The combination of this technique with HPLC, mass spectrometry and other NMR techniques enabled the identification of four flavonoid glycosides: quercetin-3-O-beta-D-galactopyranoside, quercetin-3-O-beta-D-glycopyranoside, quercetin-3-O-alpha-L-arabinofuranoside and quercetin-3-O-beta-D-rhamnopyranoside.

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Colonial spiders evolved a differential prey-capture behaviour in concert with their venom chemistry, which may be a source of novel drugs. Some highly active tetrahydro-beta-carboline (THbetaC) toxins were recently isolated from the venom of the colonial spider Parawixia bistriata; the spiders use these toxins as part of their chemical arsenal to kill and/or paralyze preys. The major THbetaC compound isolated from this venom was identified as 6-hydroxytrypargine, also known as PwTX-I. Most natural compounds of animal origin occur in low abundance, and the natural abundance of PwTX-I is insufficient for complete functional characterization. Thus, PwTx-I was synthesized using a Pictet-Spengler condensation strategy, and the stereoisomers of the synthetic toxin were separated by chiral chromatography. The fraction of venom containing a mixture of three natural THbetaC toxins and enantiomers of PwTx-I were analyzed for inhibition of monoamine oxidase (MAO)-A and -B and for toxicity to insects. We reveal that the mixture of the natural THbetaC toxins, as well as the enantiomers of PwTx-I, were non-competitive inhibitors of MAO-A and MAO-B and caused potent paralysis of honeybees. The (-)-PwTX-I enantiomer is 2-fold more potent than the (+)-PwTX-I enantiomer in the assays performed.

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The (2,3)J(CH) dependence on dihedral angle (theta H--C--C--X) for cyclopentane derivatives was investigated. We observed that the combined use of experimentally obtained (2,3)J(CH) values and the theoretically determined dihedral angles between the corresponding nuclei can be used to infer the relative stereochemistry of the ring substituents in cyclopentane derivatives. There is a good correlation between the magnitude of (3)J(CH) and the dihedral angle between the hydrogen and the coupled carbon (R2 = 0.88).

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Boophilus microplus (Canestrini, 1887), um parasita comum dos bovinos, tem sido observado em cães. Com objetivo de descrever características biológicas desse parasitismo, um cão foi infestado experimentalmente com 10.000 larvas de B. microplus previamente mantidas em câmara climatizada a 27 ± 1 ºC e umidade relativa superior a 80 por cento. A média da fase parasitária foi de 24,4 ± 1,50 dias, com uma taxa de recuperação de 0,42 por cento. Das 21 fêmeas desprendidas natural e precocemente do hospedeiro, 6 (28 por cento) ingurgitaram o suficiente (75,1 ± 30,23mg) para realizar postura. O período médio de prépostura foi de 4,33 ± 1,37 dias e o período médio de postura de 9,17 ± 2,32 dias, com produção média de 18,78 ± 15,34mg de postura. O índice médio de produção de ovos observado foi de 22,38 por cento. Estes resultados demonstraram que fêmeas de B. microplus alimentadas em cão experimentalmente infestado, completam seu ciclo biológico. A obtenção de fêmeas, capazes de realizar posturas viáveis, sugerem a possibilidade do cão atuar como hospedeiro alternativo para B. microplus, especialmente quando não há disponível outra espécie de hospedeiro preferencial.

Boophilus microplus, a common parasite of cattle, has eventually reported in dogs. To describe biological features of this parasitism, one dog was experimentally infested with 10,000 larvae of B. microplus which were previously held in acclimatized camera at 27 ±1ºC and relative humidity up to 80 percent. The mean of parasitic phase was 24.4 ± 1.50 days, with 0.42 percent of recovery rate. Of 21 natural detached B. microplus females, six engorged enough (75.1 ± 30.23mg) to achieve posture. The mean period of pre-posture was 4.33 ± 1.37 days and the means period of posture was 9.17 ± 2.32, producing a mean of 18.78 ± 15.34 posture weight. The mean of eggs production index observed was 22.38 percent. The results showed that B. microplus females fed on dogs to complete their life cycle. The females collected were able to ovoposite viable eggs suggesting that dogs can be a possible alternative hosts to B. microplus, especially when there is no other preferential host species available.

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Boophilus microplus, a common parasite of cattle, has eventually reported in dogs. To describe biological features of this parasitism, one dog was experimentally infested with 10,000 larvae of B. microplus which were previously held in acclimatized camera at 27+/-1 degrees C and relative humidity up to 80%. The mean of parasitic phase was 24.4+/-1.50 days, with 0.42% of recovery rate. Of 21 natural detached B. microplus females, six engorged enough (75.1+/-30.23 mg) to achieve posture. The mean period of pre-posture was 4.33+/-1.37 days and the means period of posture was 9.17+/-2.32, producing a mean of 18.78+/-15.34 posture weight. The mean of eggs production index observed was 22.38%. The results showed that B. microplus females fed on dogs to complete their life cycle. The females collected were able to ovoposite viable eggs suggesting that dogs can be a possible alternative hosts to B. microplus, especially when there is no other preferential host species available.

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Here we report the detailed measurement of long-range heteronuclear spin-spin coupling constants, especially 2, 3JCH spin-spin couplings for eight different cyclopentane derivatives. These 2, 3JCH constants were shown to be a useful tool in the determination of the relative stereochemistry in these rings. The coupling constant measurements reported here are based on two different experiments: a 2D heteronuclear correlation experiment named G-BIRDR, X-CPMG-HSQMBC and the 2D-coupled gHSQC {1H-13C} experiment

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Boophilus microplus, a common parasite of cattle, has eventually reported in dogs. To describe biological features of this parasitism, one dog was experimentally infested with 10,000 larvae of B. microplus which were previously held in acclimatized camera at 27 ±1ºC and relative humidity up to 80%. The mean of parasitic phase was 24.4 ± 1.50 days, with 0.42% of recovery rate. Of 21 natural detached B. microplus females, six engorged enough (75.1 ± 30.23mg) to achieve posture. The mean period of pre-posture was 4.33 ± 1.37 days and the means period of posture was 9.17 ± 2.32, producing a mean of 18.78 ± 15.34 posture weight. The mean of eggs production index observed was 22.38%. The results showed that B. microplus females fed on dogs to complete their life cycle. The females collected were able to ovoposite viable eggs suggesting that dogs can be a possible alternative hosts to B. microplus, especially when there is no other preferential host species available.

Boophilus microplus (Canestrini, 1887), um parasita comum dos bovinos, tem sido observado em cães. Com objetivo de descrever características biológicas desse parasitismo, um cão foi infestado experimentalmente com 10.000 larvas de B. microplus previamente mantidas em câmara climatizada a 27 ± 1 ºC e umidade relativa superior a 80%. A média da fase parasitária foi de 24,4 ± 1,50 dias, com uma taxa de recuperação de 0,42%. Das 21 fêmeas desprendidas natural e precocemente do hospedeiro, 6 (28%) ingurgitaram o suficiente (75,1 ± 30,23mg) para realizar postura. O período médio de prépostura foi de 4,33 ± 1,37 dias e o período médio de postura de 9,17 ± 2,32 dias, com produção média de 18,78 ± 15,34mg de postura. O índice médio de produção de ovos observado foi de 22,38%. Estes resultados demonstraram que fêmeas de B. microplus alimentadas em cão experimentalmente infestado, completam seu ciclo biológico. A obtenção de fêmeas, capazes de realizar posturas viáveis, sugerem a possibilidade do cão atuar como hospedeiro alternativo para B. microplus, especialmente quando não há disponível outra espécie de hospedeiro preferencial.

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A suitable intermediate for the synthesis of eremophilanes and bakkanes was prepared by a highly regioselective and stereoselective one-step synthesis through a niobium catalyzed Diels-Alder reaction. As a demonstration of the versatility of this intermediate, a total synthesis of (+/-)-bakkenolide A is described.

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A detailed analysis with total assignment of (1)H and (13)C NMR spectral data for a cycloheptenone derivative, a key intermediate for the synthesis of perhydroazulene terpenoids, is related. These assignments are based on 1D (1)H and (13)C NMR and on 2D NMR techniques including gCOSY, gHSQC, gHMBC, J-resolved and NOEDIF experiments. The unequivocal assignments were supported by theoretical chemical shifts and scalar coupling constant calculations at GIAO B3LYP/cc-pVDZ level from optimized structures at the same level of theory.

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Two samples (modified and no-modified) of Babesia bovis, were used to evaluate the effect on engorged females of Boophilus microplus Babesia spp - free. For so much, were used three holstein breed bovine, males with 6 months of age, (BH1, BH2 and BH3), coming of the Plateau of Itatiaia, Rio de Janeiro, Brazil. Each calf was infested with 0.2g of B. microplus larvae Babesia spp- free, for 10 consecutive days. They were inoculated in the calves BH1 and BH2, modified and no modified sample, respectively. After natural fall of adults ticks from the vertebrate host, 100 engorged females of each host (BH1, BH2 and BH3) were incubated in BOD, with superior Relative Humidity up 80%, Temperature of 28 degrees C, were appraised daily until the 12th day post incubation (dpi.). In the group of the engorged females obtained of calf BH1, infection of ticks was not observed, to the haemolymph exam and oviposture. The sporokinets absence in these samples was related with the successive passages in splenectomized calves and the criopreservation of the sample. In engorged females from BH2 it was observed rates of infection of 100% and 82% of mortality in 7th dpi. and 100% until 12nd dpi., as the oviposture, 70% did not make oviposition and 30% made it until 7th dpi.

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In this paper we present a complete 1H and 13C NMR spectral analysis of three lignan lactones (methylpluviatolide, dimethylmatairesinol and hinokinin) by the use of techniques such as COSY, HMQC, HMBC and J-resolved. Complete assignment and all homonuclear hydrogen coupling constant measurements were performed, providing enough data also to the confirmation of the relative stereochemistry.

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