In the present work, three series of cinnamic (1), p-coumaric (2) and ferulic (3) esters containing different side-chains such as ethyl (1a-3a), n-propyl (1b-3b), n-butyl (1c-3c), n-pentyl (1d-3d), n-hexyl (1e-3e), and n-heptyl (1f-3f) were prepared, tested for activity against trypomastigote forms of the parasite Trypanosoma cruzi and toxicity against NCTC cells. Obtained results indicated that the presence of p-coumaric or ferulic moieties associated with C4-C7 linear side-chains play an important role in the bioactivity against T. cruzi since compounds 2c-2f and 3d-3f were found to be the most active derivatives with a half maximal effective concentration (EC50) value ranging from 12.8 to 1.7 μM, superior to that determined for the positive control benznidazole (EC50 = 16.4 μM). Additionally, machine learning and multivariate statistical analyses identified molecular features correlated with biological activity, emphasizing the importance of side-chain length and lipophilicity, highlighting the significance of the molecular structure of phenylpropanoid derivatives in the activity against T. cruzi. work 1, 1 , (1) pcoumaric p coumaric 2 (2 3 (3 sidechains side chains 1a3a, 1a3a aa 1a 3a (1a-3a) npropyl n propyl 1b3b, 1b3b bb 1b 3b b (1b-3b) nbutyl butyl 1c3c, 1c3c cc 1c 3c c (1c-3c) npentyl pentyl 1d3d, 1d3d dd 1d 3d d (1d-3d) nhexyl hexyl 1e3e, 1e3e ee 1e 3e e (1e-3e) nheptyl heptyl 1f3f ff 1f 3f f (1f-3f prepared cells C4C7 CC C4 C7 C C4-C T 2c2f cf 2c 2f 3d3f df EC50 EC 128 12 8 12. 17 7 1. μM (EC5 164 16 4 16. μM. . μM) Additionally sidechain chain lipophilicity (1 ( (1a-3a (1b-3b (1c-3c (1d-3d (1e-3e C4C EC5 (EC

RESUMO: A batata (Solanum tuberosum L.) é uma fonte cada vez mais importante de alimento, de emprego rural e de aumento de renda, contribuindo para a estabilização social do meio rural, principalmente nos países em desenvolvimento. Entretanto, trata-se de uma cultura bastante sensível às doenças, as quais afetam drasticamente a produtividade, além da necessidade de controle elevar o custo de produção e o risco de contaminação ambiental. O objetivo do trabalho foi avaliar o controle da requeima (Phytophthora infestans) da batata cv. Ágata com base no sistema de previsão de doenças Blitecast e sua produtividade de tubérculos em duas safras. Os experimentos foram conduzidos na primavera de 2022 e no outono de 2023, no município de Passo Fundo. Diferentes valores de severidade (VS) acumulada, calculados pelo modelo Blitecast, constituíram os tratamentos VS 18, VS 24 e VS 30, acrescentando o tratamento semanal e a testemunha, sem aplicação. O delineamento foi em blocos casualizados com quatro repetições, sendo cada parcela composta de cinco fileiras de plantas com 3 metros de comprimento. Foram avaliadas a severidade da requeima e a produtividade final de tubérculos. A utilização do sistema de previsão Blitecast para o controle da requeima da batata, permite reduzir o número de aplicações de fungicidas sem afetar a produtividade final de tubérculos. O sistema de previsão deve ser utilizado como ferramenta para o manejo integrado de doenças da batata. RESUMO Solanum L. L alimento renda desenvolvimento Entretanto tratase trata se ambiental Phytophthora infestans cv safras 202 2023 Fundo (VS acumulada 18 2 30 testemunha aplicação repetições comprimento 20 1

ABSTRACT: Potato (Solanum tuberosum L.) is an increasingly important source of food, rural employment, and financial income, contributing to the social stabilization of rural areas, especially in developing countries. However, this crop is very sensitive to diseases, which drastically affect yield, in addition to increasing production costs for their control and the risk of environmental contamination. This study evaluated the control of late blight (Phytophthora infestans) in potato cv. Ágata based on the Blitecast disease forecast system and tuber yield in two growing seasons. The experiments were conducted in the spring of 2022 and autumn of 2023 in the municipality of Passo Fundo. Different accumulated severity values (SV) were calculated by the Blitecast model, which constituted the treatments SV 18, SV 24 and SV 30, in addition to a weekly treatment and a control without application. The experimental design consisted of randomized blocks with four replications, in which each plot had five rows of plants measuring 3 m in length. Late blight severity and the final tuber yield were evaluated. The use of the Blitecast forecast system to control potato late blight allows for a reduction in the number of fungicide applications without affecting the final tuber yield. The forecast system should be used as a tool for the integrated management of potato diseases. ABSTRACT Solanum L. L food employment income areas countries However diseases contamination Phytophthora infestans cv seasons 202 Fundo (SV model 18 2 30 application replications length 20 1

Gold and platinum bimetallic nanoparticles, Au@PtNPs, have gained attention due to their plasmonic properties. The controlled synthesis of Au@PtNPs involves complex parameters, and the resulting synergy between Au and Pt introduces possibilities for tailoring their properties. This study explores the effects of key-parameters of synthesis (gold core diameters, reaction time, and Pt concentration) on the final properties of Au@PtNPs. Gold nanoparticles of varying diameters were synthesized and used as cores for the reduction of hexachloroplatinic acid, forming a surrounding shell of Pt nanoparticles. The parameters were systematically tuned to understand their impact on morphology, dimension, stability, and plasmonic properties of Au@PtNPs. Increasing Pt precursor concentration resulted in thicker and denser Pt shells, broadening the localized surface plasmon resonance (LSPR) band and improving Au@PtNPs stability. These properties are essential for applications such as photothermal treatment. The synthesis achieved satisfactory products within just 1 h of Pt4+ reduction at mild temperature without using surfactants. Only limited changes in plasmonic properties were observed after 4 h of synthesis, suggesting an optimal reaction period. Manipulating Au core diameter provided LSPR band control, with smaller cores exhibiting greater broadening towards the infrared region. This systematic exploration provided valuable insights for understanding key-parameters governing the synthesis and properties of Au@PtNPs. AuPtNPs PtNPs keyparameters key gold time acid morphology dimension stability shells (LSPR treatment Pt4 surfactants period control region

Protium ovatum Eng. Burseraceae is an endemic species in Brazil used in traditional medicine. This study investigated the chemical variation and the in vitro antioxidant and antimicrobial properties of dichloromethane soluble fraction of hydrolate (DSFH) from leaves of P. ovatum collected from five different vegetation physiognomies within the Cerrado Goiano. The region was characterized based on the DSFH chemical composition by gas chromatography coupled to mass spectrometry (GC-MS) analysis. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) were performed to compare the different DSFHs from five Savannah regions in Brazil. The DSFHs from the Cerrado stricto sensu (CSS), Mata de Galeria (MG) and Cerradão (C) regions were grouped in the negative part of PC1, showing high similarity. Samples from the C and MG regions showed antioxidant activity of IC50 = 0.98 and 0.78 mg mL-1, respectively, and 0.250 mg mL-1 of butylated hydroxytoluene (positive control). DSFH from different regions exhibited antifungal activity against Candida albicans. The results show that the chemical composition and the biological activity of DSFHs can be affected according to the area of collection. Eng medicine (DSFH P Goiano GCMS GC MS (GC-MS PCA (PCA HCA (HCA CSS, CSS , (CSS) (MG (C PC1 PC similarity IC IC5 098 0 98 0.9 078 78 0.7 mL1, mL1 mL 1, 1 respectively 0250 250 0.25 mL- positive control. control . control) albicans collection (CSS 09 9 0. 07 7 025 25 0.2 02 2

This work developed an effective and eco-friendly analytical method to support quality control for Brazilian Bill proposal No. 5332/2009. The bill advocates the creation of the “Brazilian bread” by mandating the incorporation of cassava byproducts into wheat flour, with the aim of reducing Brazil’s external dependency on wheat imports and promoting domestic cassava family farming. For this, a handheld near-infrared (NIR) spectrophotometer was utilized for on-site determination of cassava starch in commercial wheat flour. The quantitative analysis, which utilized NIR spectra pre-processed with offset correction (OFF) combined with linear baseline correction (LBC), alongside the successive projections algorithm for interval selection in partial least squares (iSPA-PLS), exhibited superior predictive capability, achieving a relative error of prediction below 8%. Furthermore, the classification process, which involved NIR spectra pre-processed with LBC and iSPA-PLS for discriminant analysis (iSPA-PLS-DA), yielded an impressive 94% overall accuracy, with only 3 misclassifications in the test set. ecofriendly eco friendly No 53322009 5332 2009 5332/2009 bread flour Brazils Brazil s farming this nearinfrared near infrared (NIR onsite site preprocessed pre processed OFF (OFF LBC, , (LBC) iSPAPLS, iSPAPLS iSPA PLS (iSPA-PLS) capability 8 8% Furthermore process iSPAPLSDA, iSPAPLSDA DA (iSPA-PLS-DA) 94 accuracy set 5332200 533 200 5332/200 (LBC (iSPA-PLS (iSPA-PLS-DA 9 533220 53 20 5332/20 53322 5 2 5332/2 5332/

Silver film is commonly used to examine the structure and composition of molecules due to its surface-enhanced Raman scattering (SERS) effect. A simple method for preparing SERS silver films is proposed in this paper by electrodeposition in an amide-based liquid mixture (urea-acetamide-LiBr). The electrochemical behavior of silver in urea-acetamide-LiBr mixture was studied by cyclic voltammetry (CV) and chronoamperometry. It was found that the nucleation mechanism of silver shifts to instantaneous nucleation under diffusion control with increasing overpotential and temperature. The energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD) investigations confirmed that the obtained deposits are pure silver. Scanning electron microscopy (SEM) analysis showed that the morphology of the silver deposits depends on the deposition potential and temperature. Rhodamine 6G was used as probe molecules for SERS experiments, showing that these new active substrates have high sensitivity to SERS response with high enhancement factors, of approximately 107, and enable Raman scattering even for diluted solutions. surfaceenhanced surface enhanced (SERS effect amidebased amide based ureaacetamideLiBr. ureaacetamideLiBr urea acetamide LiBr . (urea-acetamide-LiBr) CV (CV chronoamperometry temperature EDS (EDS Xray X ray XRD (XRD SEM (SEM G experiments factors 107 solutions (urea-acetamide-LiBr 10 1

Selenium-containing compounds exhibit diverse biological activities, such as antioxidative, anti-inflammatory, and cancer preventive effects. Using Caenorhabditis elegans as a model organism, we assessed the toxicity, neuroprotective, antioxidant properties, and impact on longevity of 11 selenoacetylenes. Their toxicity and bioactivities varied based on molecular structure. Selenoacetylenes with butyl substituents were toxic to Galleria mellonella larvae. The presence of but-3-in-2-ol radical increased antiprotozoal activity against Tetrahymena pyriformis. Compared to the positive control (Nimitz® EC), selenoacetylenes were less toxic to nematode worms and eggs. Selenoacetylenes significantly reduced amyloid beta (Aβ) paralysis in C. elegans CL4176 worms, increased longevity by 18 to 22%, along with improving survival after oxidative or thermal stress. Galantamine, showed inferior results. These findings enhance our understanding of selenoacetylenes on neuroprotection, antioxidant activity, and longevity in C. elegans. Future mammalian studies will further elucidate mechanisms and explore the potential therapeutic use of selenoacetylenes in treating Alzheimer’s disease and longevity. Seleniumcontaining Selenium containing activities antioxidative antiinflammatory, antiinflammatory anti inflammatory, inflammatory anti-inflammatory effects organism neuroprotective properties 1 structure larvae but3in2ol butinol but 3 2 ol pyriformis Nimitz® Nimitz (Nimitz EC, EC , EC) eggs Aβ (Aβ C CL CL417 22 22% stress Galantamine results neuroprotection Alzheimers Alzheimer s CL41 CL4

The present study analyzed the chemical composition and phytotoxic activity of Artemisia lancea essential oil (EO). Gas chromatography-mass spectrometry (GC-MS) results showed the presence of 55 compounds, representing 82.36% of the entire EO, with eucalyptol (18.7%) being the most abundant constituent. Phytotoxic bioassay results indicated that the EO (concentration ranging from 0.25-5 mg mL−1) inhibited the growth of Amaranthus retroflexus and Setaria viridis. Root length of A. retroflexus and S. viridis were reduced with the increasing concentration of the EO, especially when the EO was applied at 1-5 mg mL−1. When treated with 1-5 mg mL−1 EO, shoot length of A. retroflexus and S. viridis were also significantly suppressed. The half maximal inhibitory concentration (IC50) values for inhibiting root and shoot growth of A. retroflexus by the EO were 0.284 and 0.246 mg mL−1; for S. viridis, the EO showed IC50 values of 0.44 and 0.262 mg mL−1 for root and shoot inhibition, respectively. The most promising findings were observed when A. lancea EO concentration reached 1 mg mL−1 and higher, which completely inhibited seed germination of A. retroflexus and S. viridis. These findings suggest A. lancea EO has potential as an eco-friendly bioherbicide for agricultural weed control. EO. . (EO) chromatographymass chromatography mass GCMS GC MS (GC-MS 5 compounds 8236 82 36 82.36 18.7% 187 18 7 (18.7% constituent 0.255 0255 0.25 0 25 0.25- mL1 mL A S 15 1- mL− suppressed IC (IC50 0284 284 0.28 0246 246 0.24 IC5 044 44 0.4 0262 262 0.26 inhibition respectively higher ecofriendly eco friendly control (EO 823 8 3 82.3 18.7 (18.7 255 025 0.2 2 (IC5 028 28 024 24 04 4 0. 026 26 82. 18. (18. 02 (IC (18 (1 (

Serial numbers are marks present on several day-to-day objects, created by manufacturers for purposes such as quality control, product tracking and to prevent counterfeiting. In the case of firearms, these characters can be obliterated or damaged by natural processes or intentionally by criminals to prevent positive identification of stolen property. One non-destructive method employed by crime laboratories for the restoration of obliterated characters is the magnetic particle method. The present work aims to study the synthesis and application of waste-made magnetic nanoparticles in the recovery of adulterated markings. A set of analytical-grade materials and metallic waste magnetic nanoparticles were synthesized for comparison purposes. Chemical characterization tests by X-ray fluorescence, morphological tests by scanning electron microscopy (SEM), and magnetization tests by vibrating sample magnetometer (VSM) were performed. The efficacy of the synthesized nanoparticles was tested on 1020 steel plates previously engraved and adulterated by sanding. Both homemade magnetic nanoparticles demonstrated superior performance compared to commercial magnetic particles. The application of homemade magnetic particles, especially using waste as the source of production, decreases the cost of the material and is environmentally friendly. The development of this material makes magnetic serial number restoration a better option for widespread use in forensic procedures. daytoday day objects control counterfeiting firearms property nondestructive non destructive wastemade made markings analyticalgrade analytical grade Xray X ray fluorescence SEM, SEM , (SEM) VSM (VSM performed 102 sanding particles production friendly procedures (SEM 10 1

Compared to other species, components of Combretum lanceolatum are still with few data reported in the literature. This work describes the compounds identification, antioxidant and antimicrobial activities of C. lanceolatum twigs. Ethanolic extract (EECLT) from C. lanceolatum twigs was submitted to partition obtaining: hexane (HF), diethyl ether (EEF), ethyl acetate (EAF) and hydromethanolic (HMF) fractions. They were analyzed by gas chromatography-mass spectrometry, high performance liquid chromatography coupled to mass spectrometry and direct insertion mass spectrometry and evaluated for antioxidant assay (2,2-diphenyl-1-picrylhydrazyl (DPPH) method) and antimicrobial assay. Fifty-seven compounds were identified in the fractions. In antioxidant assay, EECLT and EAF demonstrated good antioxidant potential (half maximal effective concentration (EC50): 57.9 and 45.4 µg mL–1, respectively), better than the positive control butylated hydroxytoluene (BHT) (EC50: 69.34 µg mL–1). For antimicrobial assay, all fractions presented promising minimal inhibitory concentration (MIC). EECLT presented the best values against Staphylococcus aureus (125 µg mL–1) and Escherichia coli (62.5 µg mL–1) and better than the positive control fluconazole (8 and 16 µg mL–1) against Candida albicans (3.9 µg mL–1) and Candida krusei (15.6 µg mL–1) strains. This study presents relevant chemical and biological information about C. lanceloatum expanding the knowledge of Brazilian flora. species literature identification C (EECLT obtaining HF, HF , (HF) EEF, EEF (EEF) (EAF HMF (HMF chromatographymass 2,2diphenyl1picrylhydrazyl 22diphenyl1picrylhydrazyl diphenylpicrylhydrazyl 2,2 diphenyl 1 picrylhydrazyl 2 DPPH (DPPH method Fiftyseven Fifty seven half EC50 EC (EC50) 579 57 9 57. 454 45 4 45. mL1 mL mL–1 respectively, respectively respectively) BHT (BHT (EC50 6934 69 34 69.3 mL–1. . MIC. MIC (MIC) 125 (12 62.5 625 62 5 (62. 8 ( 3.9 39 3 (3. 15.6 156 15 6 (15. strains flora (HF (EEF 2diphenyl1picrylhydrazyl 22 2, EC5 mL– (EC5 693 69. (MIC 12 (1 62. (62 3. (3 15. (15 (EC (6

ABSTRACT The cultivation of conventional maize in refuge areas is important for preserving Bt technology and serving specific markets with greater added value to the grains. Therefore, research aimed at chemical weed control must also continue to be directed to conventional maize hybrids. The objective was to evaluate the selectivity of herbicides applied in preand post-emergence of a conventional maize hybrid cultivated in the Cerrado biome of Brazil. Two field experiments were set up, one in summer and the other in second season. The treatments were composed of eleven herbicide treatments, whose doses are presented in g ha-1 of active ingredient: S-metolachlor (1,440), S-metolachlor (1,680), mesotrione + atrazine (115.2 + 2,000), mesotrione + atrazine (192 + 2,000), tembotrione + atrazine (75.6 + 2,000), tembotrione + atrazine (100.8 + 2,000), nicosulfuron + atrazine (16 + 2,000), nicosulfuron + atrazine (24 + 2,000), [mesotrione + atrazine] ([120 + 1,200]), sequential application of [mesotrione + atrazine] ([60 + 600]), atrazine (2,000), plus a weeded control. Regardless of the experiment, all herbicides applied preand post-emergence of maize led to low percentages of phytointoxication. In both experiments, none of the treatments caused reductions in crop stand, confirming the absence of plant mortality due to the application of herbicides. Plant tipping/lodging was seen in summer maize, with no treatment effect. Maize 100grain mass and yield did not change as a result of the application of herbicides in preand post-emergence of the crop. All herbicide treatments evaluated showed selectivity for the conventional maize hybrid. grains Therefore hybrids postemergence post emergence Brazil up season ha1 ha 1 ha- ingredient Smetolachlor S metolachlor 1,440, 1440 1,440 , 440 (1,440) 1,680, 1680 1,680 680 (1,680) 115.2 1152 115 2 (115. 2,000, 2000 2,000 000 2,000) 192 (19 75.6 756 75 6 (75. 100.8 1008 100 8 (100. 16 (1 24 (2 120 ([12 1,200, 1200 1,200 200 1,200]) 60 ([6 600, 600 600]) (2,000) experiment phytointoxication stand tippinglodging tipping lodging effect grain 144 1,44 44 (1,440 168 1,68 68 (1,680 115. 11 (115 2,00 00 19 75. 7 (75 100. 10 (100 ( 12 ([1 1,20 20 1,200] ([ 600] (2,000 14 1,4 4 (1,44 1,6 (1,68 (11 2,0 0 (7 (10 1,2 (2,00 1, (1,4 (1,6 2, (2,0 (1, (2,

RESUMO O cultivo do milho convencional em áreas de refúgio é importante para preservação da tecnologia Bt e para atender mercados específicos com maior valor agregado aos grãos. Portanto, as pesquisas voltadas ao controle químico de plantas daninhas também devem continuar direcionadas aos híbridos convencionais de milho. O objetivo foi avaliar a seletividade de herbicidas aplicados em pré e pós-emergência de um híbrido convencional de milho cultivado no bioma Cerrado do Brasil. Foram instalados dois experimentos de campo, um na safra verão e outro segunda safra. Os tratamentos foram onze herbicidas, cujas doses são apresentadas em g ha-1 de ingrediente ativo: S-metolachlor (1.680), mesotrione + atrazine (115,2 + 2.000), mesotrione + atrazine (192 + 2.000), tembotrione + atrazine (75,6 + 2.000), tembotrione + atrazine (100,8 + 2.000), nicosulfuron + atrazine (16 + 2.000), nicosulfuron + atrazine (24 + 2.000), [mesotrione + atrazine] ([120 + 1.,200]), aplicação sequencial de [mesotrione + atrazine] ([60 + 600]), atrazine (2.000), mais testemunha capinada. Independentemente do experimento, todos os herbicidas aplicados pré e pós-emergência do milho proporcionaram baixos percentuais de fitointoxicação. Em ambos os experimentos nenhum dos tratamentos causou redução no estande, confirmando a ausência de mortalidade das plantas pela aplicação de herbicidas. O tombamento/acamamento das plantas foi observado no experimento realizado de verão e não observou efeito entre tratamentos. Massa de 100 grãos e produtividade do milho não alteraram em função da aplicação de herbicidas na pré e pósemergência da cultura. Todos os tratamentos herbicidas avaliados apresentaram seletividade ao híbrido de milho convencional. Portanto pós emergência Brasil campo ha1 ha 1 ha- ativo Smetolachlor S metolachlor 1.680, 1680 1.680 , 680 (1.680) 115,2 1152 115 2 (115, 2.000, 2000 2.000 000 2.000) 192 (19 75,6 756 75 6 (75, 100,8 1008 8 (100, 16 (1 24 (2 120 ([12 1.,200, 1200 1.,200 200 1.,200]) 60 ([6 600, 600 600]) (2.000) capinada fitointoxicação estande tombamentoacamamento tombamento acamamento 10 cultura 168 1.68 68 (1.680 115, 11 (115 2.00 00 19 75, 7 (75 100, (100 ( 12 ([1 1.,20 20 1.,200] ([ 600] (2.000 1.6 (1.68 (11 2.0 0 (7 (10 1.,2 (2.00 1. (1.6 2. 1., (2.0 (1. (2.

This study aimed to employ bibliometric methodologies to provide an overview of silver nanoparticles used as antimicrobial agents over the past decade. According to research conducted using the Scopus and Web of Science databases, a total of 2504 articles were published globally, of which 109 were from Brazilian institutions. Notably, approximately 70% of the leading article-producing countries are in Asia, with India emerging as the primary contributor with 1892 articles. Brazil ranked sixth in terms of publication volume, contributing 366 articles. Predominantly, the Southeastern region of Brazil exhibited the highest publication output, constituting 61% of the total, with the state of São Paulo playing a central role. Despite a gradual increase in the number of publications, most studies focused on synthesis methodologies, mainly producing aqueous silver nanoparticle solutions and their correlation with antimicrobial applications. The scarcity of publications addressing their efficacy in final commercialized products poses challenges for regulatory actions, quality control, and sanitary surveillance. Bibliometric studies are valuable tools for guiding future research efforts with significant potential impacts to foster a deeper understanding of this topic within the scientific community. decade databases 250 globally 10 institutions Notably 70 articleproducing article Asia 189 volume 36 Predominantly output 61 role applications actions control surveillance community 25 1 7 18 3 6 2

ABSTRACT Nuclear magnetic resonance (NMR) is a spectroscopy technique widely used by chemists and physicists to determine the chemical structure of molecules that was adapted to generate imaging, known as nuclear magnetic resonance imaging (MRI), which is widely used in medical diagnosis. The importance of NMR in chemistry, physics, medicine, materials, and agriculture has been recognized with several Nobel Prizes in Physics, 1952, Chemistry, 1991 and 2002, and Medicine in 2003. Therefore, NMR can be applied to obtain: i) imaging of the human body, animal and materials; ii) high-resolution spectra to obtain structural and dynamical information of chemicals, materials etc.; and iii) quantitative and qualitative information of chemical composition of products such as food and agricultural products, using low-resolution relaxometry. High-resolution NMR and MRI have been applied in agri-food products, mostly as a research tool as they typically rely on expensive and bulk instruments, which restrict their uses in routine applications. The NMR sensors that have been more frequently used in agri-food products are based on low-resolution or low-field or time-domain NMR (TD-NMR) instruments. These low-cost instruments have been used for qualitative and quantitative analysis of agri-food products such as intact seeds and grains, intact fruits, meat, oils, and processed foods. In this paper, an overview of the NMR techniques and its main instrumentation aspects are presented, and some applications of TD-NMR and MRI in the non-invasive analysis of food, seeds, and others agricultural products are discussed. (NMR MRI, , (MRI) diagnosis chemistry physics medicine Physics 1952 Chemistry 199 2002 2003 Therefore i body ii highresolution high resolution chemicals etc. etc iii lowresolution low relaxometry Highresolution High agrifood agri lowfield field timedomain time domain TDNMR TD (TD-NMR lowcost cost grains fruits meat oils foods paper presented noninvasive non invasive discussed (MRI 195 19 200 1 20 2

RESUMO A ressonância magnética nuclear (RMN) é uma técnica de espectroscopia amplamente utilizada pelos químicos e físicos para determinar a estrutura química de moléculas que foi adaptada para gerar imagens, conhecidas como tomografia por imagem de ressonância magnética nuclear (IRM), amplamente utilizada em diagnóstico médico. A importância da RMN na química, física, medicina, materiais e agricultura tem sido reconhecida por vários Prémios Nobel de Física, 1952, Química, 1991 e 2002, e Medicina em 2003. Portanto, a RMN pode ser aplicada para obter: i) imagens do corpo humano, animais e materiais; ii) espectros de alta resolução para obtenção de informações estruturais e dinâmicas de produtos químicos, materiais etc.; e iii) obter informações quantitativas e qualitativas da composição química de alimentos, produtos agrícolas, utilizando relaxometria de baixa resolução. A IRM e a RMN de alta resolução tem sido aplicadas em produtos agroalimentares, principalmente na pesquisa, uma vez que normalmente dependem de instrumentos caros de grandes dimensões, o que restringe a sua utilização em aplicações rotineiras. Sensores de RMN que têm sido utilizados com mais frequência em produtos agroalimentares baseiam-se em instrumentos de baixa resolução ou de baixo campo ou domínio de tempo TD-NMR. Esses instrumentos de baixo custo tem sido utilizados para análises qualitativas e quantitativas de produtos agroalimentares, como sementes e grãos intactos, frutas intactas, carnes, óleos e alimentos processados. Neste artigo, é apresentada uma revisão das técnicas de RMN, seus principais aspectos da instrumentação, e discutidas algumas aplicações de TD-RMN e IRM na análise não invasiva de alimentos, sementes e outros produtos agrícolas. (RMN IRM, , (IRM) médico física medicina Física 1952 Química 199 2002 2003 Portanto i humano ii etc. etc iii agrícolas pesquisa dimensões rotineiras baseiamse baseiam se TDNMR. TDNMR TD NMR. NMR TD-NMR intactos intactas carnes processados artigo instrumentação TDRMN (IRM 195 19 200 1 20 2

A series of novel thieno[2,3-d]pyrimidine derivatives were designed, synthesized and evaluated for their biological ability. 2-Amino-4,7-dihydro-5H-thieno[2,3-d]pyrano-3-cyanonitrile was synthesized by Gewald reaction using pyranone as substrate, malonitrile and sulfur powder as raw materials and triethylamine as base at room temperature. Subsequent amination with N,N-dimethylformamide dimethyl acetal (DMF-DMA) gave N'-(3-cyano-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-N,N-dimethylmethanimidamide. In this article, the 23 thieno[2,3-d] pyrimidines were obtained by Dimroth rearrangement condensation with different anilines, 16 of them being new compounds. Meanwhile, all compounds were assessed for breast cancer MDA-MB-231 cell line bioactivity with paclitaxel (PTX) as the positive control, and all compounds in the series showed inhibitory effects on breast cancer cell MDA-MB-231. The IC50 of compound l against MDA-MB-231 is 27.6 μM, which is similar to that of PTX with an IC50 of 29.3 μM. This means that compound l exhibits comparable inhibitory activity to PTX in MDA-MB-231 cells and may be considered as a potential anti-MDA-MB-231 inhibitor. thieno2,3dpyrimidine thieno23dpyrimidine thienodpyrimidine thieno 2,3 d pyrimidine 2 3 designed ability 2Amino4,7dihydro5Hthieno2,3dpyrano3cyanonitrile 2Amino47dihydro5Hthieno23dpyrano3cyanonitrile AminodihydroHthienodpyranocyanonitrile Amino 4,7 dihydro 5H pyrano cyanonitrile 4 7 H substrate temperature N,Ndimethylformamide NNdimethylformamide N,N dimethylformamide N DMFDMA DMF DMA (DMF-DMA N3cyano4,7dihydro5Hthieno2,3cpyran2ylN,Ndimethylmethanimidamide. N3cyano47dihydro5Hthieno23cpyran2ylNNdimethylmethanimidamide NcyanodihydroHthienocpyranylNNdimethylmethanimidamide cyano c pyran yl dimethylmethanimidamide. dimethylmethanimidamide N'-(3-cyano-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-N,N-dimethylmethanimidamide article thieno2,3d thieno23d thienod thieno[2,3-d anilines 1 Meanwhile MDAMB231 MDAMB MDA MB 231 MDA-MB-23 (PTX control MDAMB231. 231. IC IC5 276 27 6 27. μM 293 29 29. antiMDAMB231 antiMDAMB anti anti-MDA-MB-23 inhibitor thieno2 3dpyrimidine dpyrimidine 2, 2Amino4 7dihydro5Hthieno2 3dpyrano3cyanonitrile Hthieno dpyrano 47 4, Ndimethylformamide NN N3cyano4 3cpyran2ylN Ndimethylmethanimidamide cpyran ylN N3cyano4,7dihydro5Hthieno2,3cpyran2ylN,Ndimethylmethanimidamide ylNNdimethylmethanimidamide 3d MDAMB23 MDA-MB-2 antiMDAMB23 anti-MDA-MB-2 2Amino dihydroHthieno 7dihydro5Hthieno dpyranocyanonitrile Ncyano N3cyano cpyranylN MDAMB2 MDA-MB- antiMDAMB2 anti-MDA-MB- MDA-MB anti-MDA-MB

APPLICATION OF MASS SPECTROMETRY WITH PAPER SPRAY IONIZATION AND THE OPLS-DA CHEMOMETRIC METHOD FOR THE DIAGNOSIS OF PROSTATE CANCER BY ANALYSIS OF URINE SAMPLES. In this study, paper spray ionization mass spectrometry (PSI-MS) allied to orthogonal projections on the latent structure-discrimination analysis (OPLS-DA) was employed to differentiate urine samples from patients with prostate cancer and control individuals (without prostate cancer). The parameters of sensitivity, specificity, efficiency and Matthew’s correlation coefficient determined to analyze the efficiency and quality of the OPLS-DA model obtained a value equal to 1, which means, respectively, that the model has a good performance to correctly classify true positive samples and true negatives. These results showed 100% correct classification of the samples from the training and test set, demonstrating a high efficiency of the OPLS-DA model when classifying all samples considered as belonging to the class of interest (urine from control patient) into class 1 and all samples considered as belonging to the non-interest class (urine from patients with prostate cancer) in class 0. This efficiency resulting from the application of this model suggests that the PSI-MS combined to OPLS-DA is a promisor approach for a rapid diagnosis of prostate cancer, via chemical fingerprints of urine samples. OPLSDA OPLS DA SAMPLES study PSIMS PSI MS (PSI-MS structurediscrimination structure discrimination (OPLS-DA without cancer. . sensitivity specificity Matthews Matthew s means respectively negatives 100 set patient noninterest non 0 10