The species Oryza sativa (rice) and Musa cavendishii (banana) are sources of cellulose-rich waste biomass in the Amazon region, Tocantins State. This research investigates the nanoscale production of cellulose through the interactions between three choline amino acid ionic liquids Ch[AA]IL and the respective fibers by pretreatment. To this end, the synthesis of three ILs was carried out: choline arginate Ch[Arg], choline glycinate Ch[Gly] and choline lysinate Ch[Lys], characterized by Fourier transform infrared spectroscopy (FTIR). The samples resulting from the pretreatment were analyzed by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and thermogravimetric analysis (TGA). It was possible to infer from the SEM micrographs that Ch[Arg] caused greater fiber breakage than the other ILs. The TEM analyses identified fibers up to 16 nm in diameter. Positive effects were observed in the diffractograms, although no crystallinity was obtained in the pretreated samples. Thermogravimetry curves showed that the fibers treated with Ch[Arg] showed higher thermal stability. rice (rice banana (banana celluloserich rich region State ChAAIL Ch AA IL end out ChArg, ChArg Arg , ChGly Gly Ch[Gly ChLys, ChLys Lys Ch[Lys] FTIR. FTIR . (FTIR) SEM, (SEM) TEM, (TEM) Xray X ray XRD (XRD TGA. TGA (TGA) Ch[Arg 1 diameter diffractograms stability Ch[Lys (FTIR (SEM (TEM (TGA

This study aims to propose a new method for derivatizing fatty acids (FAs) from human milk (HM), eliminating the lipid extraction step, and simplifying the preparation for gas chromatography with a flame ionization detection (GC-FID) analysis to quantify the FAs. The Design Expert software optimized the reaction times, concentrations, and sample amount. The proposed method (PM) was validated for lyophilized HM and results for the figures of merit for precision in relative standard deviation (RSD) (RSDintra-day 1.34-4.03% and RSDinter day 2.08 5.16%), accuracy (99.87-102.16%), and robustness are within a linear range of 3 to 38% lipids in HM samples. The atmospheric solids analysis probe tandem mass spectrometry (ASAP-MS/MS) technique confirmed the efficiency of PM by expressing the molecular composition of triacylglycerol formed by FAs from the GC-FID technique. The PM requires a small sample size and conducts derivatization directly in the sample matrix, minimizing extraction errors. (FAs HM, , (HM) step GCFID GC FID (GC-FID times concentrations amount (PM RSD (RSD RSDintraday RSDintra 1.344.03% 134403 1.34 4.03% 1 34 4 03 1.34-4.03 208 2 08 2.0 5.16%, 516 5.16% 5 16 5.16%) 99.87102.16%, 998710216 99.87 102.16% 99 87 102 (99.87-102.16%) 38 samples ASAPMS/MS ASAPMSMS ASAP MS/MS MS (ASAP-MS/MS matrix errors (HM 344 1.344.03 13440 134 1.3 403 4.03 0 1.34-4.0 20 2. 51 5.16 87102 99.87102.16% 99871021 9987 99.8 10216 102.16 9 8 10 (99.87-102.16% ASAPMS MSMS 1.344.0 1344 13 1. 40 4.0 1.34-4. 5.1 8710 99.87102.16 9987102 998 99. 1021 102.1 (99.87-102.16 1.344. 4. 1.34-4 5. 871 99.87102.1 998710 102. (99.87-102.1 1.344 1.34- 99.87102. 99871 (99.87-102. 99.87102 (99.87-102 99.8710 (99.87-10 99.871 (99.87-1 (99.87- (99.87 (99.8 (99. (99 (9 (

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

Acquired immunodeficiency syndrome is an infectious disease caused by human immunodeficiency virus (HIV). Pharmacological antiretroviral therapy, along with therapeutic monitoring of drug plasma concentrations, facilitates adequate and effective follow-up in each patient. Our main objective was to develop and validate a high-performance liquid chromatography with ultraviolet detector (HPLC-UV) bioanalytical method for the simultaneous quantification of plasma concentrations of three commonly used antiretrovirals in Colombia: efavirenz, lopinavir, and ritonavir. This method is intended for therapeutic drug monitoring in persons living with HIV locally or in developing countries. The method is selective, specific, accurate, precise, and stable over the concentration range of 250 and 20,000 ng mL -1 for the drugs. It was successfully applied to measure the plasma levels of efavirenz, lopinavir, and ritonavir in HIV patients, which ranged from 251.0 ± 10.4 to 7186.2 ± 10.2, 8188.2 ± 5.9 to 15,312.5 ± 6.6, and 246.1 ± 6.5 to 1189.0 ± 6.4 ng mL-1, respectively. HIV. . (HIV) therapy followup follow up patient highperformance high performance HPLCUV HPLC UV (HPLC-UV Colombia efavirenz lopinavir countries selective specific accurate precise 25 20000 20 000 20,00 1 - drugs patients 2510 251 0 251. 104 10 4 10. 71862 7186 2 7186. 102 10.2 81882 8188 8188. 59 5 9 5. 153125 15 312 15,312. 66 6 6.6 2461 246 246. 65 6. 11890 1189 1189. 64 mL1, mL1 1, mL-1 respectively (HIV 2000 00 20,0 718 818 15312 31 15,312 24 118 mL- 200 20, 71 81 1531 3 15,31 11 7 8 153 15,3 15,

Analysis of variance (ANOVA)-simultaneous component analysis (ASCA) is a method of choice for factorial design studies of environmental impacts on plant metabolomes and can be used to quantitatively carry out this comparative analysis. The impacts of seven mixture design extractor systems made up of ethanol, dichloromethane, and hexane and their 1:1 binary and 1:1:1 ternary solvents for several replicate experiments (n = 3, 4, 5) were assessed using ASCA models determined from Fourier-transform infrared (FTIR), near-infrared (NIR), and UV-Vis spectroscopic measurements on yerba mate leaf extracts. This analysis considered two-factor effects: secondary sexual dimorphism (male and female plants) and cultivation systems (monoculture and agroforestry), as well as their interaction effect. The three binary solvents were found to be more efficient extractor systems for all four detectors as they found 83 main and interaction effects significant at or above the 95% confidence level compared with only 47 for the pure solvent extracts. Binary solvent extracts resulted in averages between 44.04 and 86.61% for the ASCA total effect variances compared with 40.62 to 71.07% for pure extractors. Of the 60 significant effects found for experiments with 5 repetitions 53 or 88% were obtained with only triplicate determinations. The choice of spectroscopic technique and solvent system have large impacts on metabolomic analysis results. ANOVAsimultaneous ANOVA simultaneous (ASCA ethanol dichloromethane 11 1 1: 111 1:1: n 3 4 Fouriertransform Fourier transform FTIR, FTIR , (FTIR) nearinfrared near NIR, NIR (NIR) UVVis UV Vis twofactor two factor male plants monoculture agroforestry, agroforestry agroforestry) 8 95 4404 44 04 44.0 8661 86 61 86.61 4062 40 62 40.6 7107 71 07 71.07 extractors 6 88 determinations results (FTIR (NIR 9 440 0 44. 866 86.6 406 40. 710 7 71.0 86. 71.

Diaporthe phaseolorum, an endophyte isolated from Combretum lanceolatum, has exhibited diverse biological activities including antimicrobial, leishmanicidal, antitumoral, and herbicidal properties. Regardless of these activities, there remains limited research on its chemical constituents. Therefore, this study aimed to investigate the metabolome of D. phaseolorum employing mass spectrometry data dereplication through molecular networking and MolNetEnhancer tools. Twenty two molecular families were annotated, including prenol lipids, benzenoids, organoheterocyclic compounds, and nucleosides. Among the 41 nodes annotated, 36 metabolites were confirmed via spectral references, including alismol, farnesol, linoleic acid, tyramine, N-acetyl-tyramine, 5-methoxy-1H-indole-3-carbaldehyde, 6-pentyl-2H-pyran-2-one, and adenosine. Further node annotation was achieved through MolNetEnhancer, resulting in the classification of an additional 68 nodes into various molecular families. Consequently, this study represents a significant contribution to the identification of the D. phaseolorum metabolome, highlighting its secondary metabolites and providing valuable chemical insights to elucidate its demonstrated biological activities. lanceolatum antimicrobial leishmanicidal antitumoral properties constituents Therefore D tools annotated lipids benzenoids compounds nucleosides 4 3 references alismol farnesol acid tyramine Nacetyltyramine, Nacetyltyramine N acetyl N-acetyl-tyramine 5methoxy1Hindole3carbaldehyde, 5methoxy1Hindole3carbaldehyde methoxyHindolecarbaldehyde 5 methoxy 1H indole carbaldehyde, carbaldehyde H 5-methoxy-1H-indole-3-carbaldehyde 6pentyl2Hpyran2one, 6pentyl2Hpyran2one pentylHpyranone 6 pentyl 2H pyran 2 one, one 6-pentyl-2H-pyran-2-one adenosine Consequently Hindole Hpyran

The present work focused on the screening process of different inorganic oxides and different temperatures for the epoxidation reaction of macaw palm vegetable oil without using solvent, a promising Brazilian biomass that can substitute other vegetable oils (e.g., soybean oil) in technological applications. This oil has an iodine value of 108.48 g of I2 per 100 g being categorized as a semi-dry oil. The epoxidized vegetable oil can be applied in manifold areas in polymer science. The epoxidation reaction here presented avoided organic solvents and organic acids and aimed to produce a greener route using metal oxides or niobium phosphate as a peroxide-activating catalyst. The experimental parameters were maintained as 10 mol% of catalyst loading and a time of 24 h; however, the temperature for some catalysts was changed to improve the epoxide conversion. Experiments were measured by proton nuclear magnetic resonance (1H NMR). Experiments using titanium oxide (TiO2) as a catalyst reached a conversion greater than 84.7%, while experiments using aluminium oxide (Al2O3) or lanthanum oxide (La2O3) achieved conversions of 22.6 and 30.1%, respectively. Furthermore, it was observed that both niobium compounds instantly react with hydrogen peroxide to form peroxy derivatives. solvent e.g., eg e (e.g. applications 10848 108 48 108.4 I semidry semi dry science peroxideactivating activating 1 mol 2 h however 1H H NMR. NMR . NMR) TiO2 TiO (TiO2 847 84 7 84.7% Al2O3 AlO Al O (Al2O3 La2O3 LaO La (La2O3 226 22 6 22. 301 30 30.1% respectively Furthermore derivatives e.g. (e.g 1084 4 108. (TiO 8 84.7 Al2O (Al2O La2O (La2O 3 30.1 e.g 84. 30.

The objective of this work was to evaluate the total concentration and bioaccessible fractions of Ba, Ca, Cd, Cr, Cu, Fe, K, Mg, Mn, Pb, V and Zn in berry fruits and analyze the influence of different cultivars and growing conditions on the obtained results. The variations in bioaccessible concentrations were from 7.7-30, 17-29, 22-50, 1.8-96, 22-33 and 20-51% of the total concentration, for Ba, Cu, Fe, Mn, Pb and Zn, respectively. Copper showed greater bioaccessibility in blackberry and blueberry. For Fe, bioaccessibility was observed in all strawberries and blueberries and in some blackberries. Zinc presented higher bioaccessible fractions in strawberries. For V, only the sample Blackberry 124 showed bioaccessible concentration, (11% of the total concentration). Regarding the different forms of cultivation, the strawberries that received radiation from the red and white lamps presented a higher production of fruit compared to the other systems, however, in relation to the absorption of nutrients, a small variation was observed between the fruits. Ba Ca Cd Cr Cu Fe K Mg Mn results 7.730, 7730 7.7 30, 7 30 7.7-30 1729, 1729 17 29, 29 17-29 2250, 2250 22 50, 50 22-50 1.896, 1896 1.8 96, 1 8 96 1.8-96 2233 33 22-3 2051% 2051 20 51% 51 20-51 respectively blueberry blackberries 12 11% 11 (11 concentration. . concentration) cultivation systems however nutrients 730 7.730 773 77 7. 3 7.7-3 172 2 17-2 225 5 22-5 896 1.896 189 18 1. 9 1.8-9 223 22- 205 20-5 (1 73 7.73 7.7- 17- 89 1.89 1.8- 20- (

Worldwide, millions of people suffer from neurological and psychiatric conditions, such as schizophrenia, depression, and neurodegenerative diseases. These conditions are often linked to hyperactivity of monoamine oxidase B (MAO-B) in the brain, and inhibiting this enzyme can reduce oxidative stress, stabilize neurotransmitter levels, and alleviate symptoms. In this context, a pharmacophoric model was created using PharmaGist with 31 hits extracted from BindingDB to enable a pharmacophoric-based search of potential MAO-B inhibitors in ZincPharmer’s chemical space, followed by the building of 10 conformers for each molecule in the software OMEGA, screening for structural and electrostatic similarity to safinamide using ROCS (Rapid overlay of chemical structures) and EON (Electrostatic similarity for lead-hopping), respectively. In addition, the molecular docking with Gold using the score function was performed to rank the ligands with the highest probabilities of affinity to MAO-B and then discriminate those with suitable physical chemical, pharmacokinetic, and toxicological features using the tools QikProp, SwissADME, and DEREK. Four potential ligands with selective MAO-B inhibitor properties were identified, which show promise as future therapeutic agents for MAO-B-related disorders. Worldwide schizophrenia depression diseases MAOB MAO (MAO-B brain stress levels symptoms context 3 pharmacophoricbased based ZincPharmers ZincPharmer s space 1 OMEGA Rapid structures Electrostatic leadhopping, leadhopping lead hopping , lead-hopping) respectively addition pharmacokinetic QikProp SwissADME DEREK identified MAOBrelated related disorders lead-hopping

A direct, high-throughput and accurate method, multi-molecular infrared spectroscopic (MMIR) data fusion, was established for the detection of trace of estrone, diethylstilbestrol, betamethasone and prednisone acetate in peptide powders based on near-infrared and mid-infrared fusion datasets. Tri step MMIR with progressively improved resolution captured key fingerprint features of hormones in the regions of 3430-3250, 2950-2850, 1750-1550 and 1335-1050 cm-1 which were exclusively selected as the datasets. The back propagation neural network (BPNN) model with the best performance used a mid-level fusion strategy and achieved excellent root mean square error of prediction (RMSEP, 1.101 mg kg-1) and residual prediction deviation (RPD, 9.890). Compared to those of single dataset models, the RMSEP was reduced by more than 82.03%. This method had remarkable practical significance for the direct and accurate quality evaluation of peptide powder products with favorable limit of detection (LOD) but without pretreatment and chemical agents, verifying the feasibility of multiple analytical instruments for rapid and comprehensive detection of powdered foods. highthroughput high throughput multimolecular multi molecular (MMIR estrone diethylstilbestrol nearinfrared near midinfrared mid datasets 34303250, 34303250 3430 3250, 3250 3430-3250 29502850, 29502850 2950 2850, 2850 2950-2850 17501550 1750 1550 1750-155 13351050 1335 1050 1335-105 cm1 cm 1 cm- BPNN (BPNN midlevel level RMSEP, (RMSEP 1101 101 1.10 kg1 kg kg-1 RPD, RPD (RPD 9.890. 9890 9.890 . 9 890 9.890) models 8203 82 03 82.03% LOD (LOD agents foods 3430325 343 325 3430-325 2950285 295 285 2950-285 1750155 175 155 1750-15 1335105 133 105 1335-10 110 10 1.1 kg- 989 9.89 89 820 8 0 82.03 343032 34 32 3430-32 295028 29 28 2950-28 175015 17 15 1750-1 133510 13 1335-1 11 1. 98 9.8 82.0 34303 3 3430-3 29502 2 2950-2 17501 1750- 13351 1335- 9. 82. 3430- 2950-

Anabolic steroids are often consumed by both amateur and professional sports practitioners with the aim of improving their performance and for the rapid gain of muscle mass. Nandrolone is one of the main steroids consumed and is, frequently, acquired illegally or from dubious sources, and this raises serious concerns regarding the quality of the products. This work sought to qualitatively and quantitatively evaluates oily, nandrolone-based anabolic steroids confiscated by the Federal Police Department, in the triple border (Paraguay-Brazil-Argentina, PY-BR-AR). For the quantitative study, we conducted a methodological validation analysis based on the application of solvent extraction and GC-MS (gas chromatography-mass spectrometry). A total of 40 samples of nandrolone steroids (as described on the label) were thoroughly investigated. The results obtained showed that 90% of the samples analyzed contained the active ingredient but 67.5% of these samples exhibited concentrations below the values indicated on the label; these products are thus considered to be of low quality and their consumption may pose serious risks to the consumers. The findings of this study point to the importance of enforcing regulatory controls on the sale of anabolic steroids with a view to inhibiting the consumption of counterfeit drugs that can pose serious risks to the health of consumers. mass frequently sources oily nandrolonebased Department ParaguayBrazilArgentina, ParaguayBrazilArgentina Paraguay Brazil Argentina, Argentina (Paraguay-Brazil-Argentina PYBRAR. PYBRAR PY BR AR . PY-BR-AR) GCMS GC MS gas chromatographymass chromatography spectrometry. spectrometry spectrometry) 4 as label investigated 90 675 67 5 67.5 consumers PY-BR-AR 9 6 67.

The first step in the synthesis of polyaniline doped with dodecylbenzene sulfonic acid is the synthesis of the anilinium dodecylbenzene sulfonate salt obtained through the reaction between aniline and dodecylbenzene sulfonic acid in aqueous medium. In this work, theoretical models were developed to simulate the formation mechanism of this salt in an aqueous medium. Changes in energy, frontier orbitals, gap energy, charge distribution and thermodynamic parameters were calculated. These theoretical results were correlated with the experimental data from the synthesis of the salt and from infrared spectroscopy. Theoretical models suggested that the solubilization of dodecylbenzene sulfonic acid and aniline in water are energetically and thermodynamically favorable processes. Interactions between the frontier orbitals indicated the formation of water-insoluble anilinium dodecylbenzene sulfonate salt. These molecular modeling results agree with experimental data indicating that the theoretical method used was efficient in simulating the reaction system. medium work energy calculated spectroscopy processes waterinsoluble insoluble system

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

Faced with the global challenge of water treatment, the investigation of the removal of endocrine disruptor compounds (EDCs) in aquatic environments is essential to protect human and animals health. In this study, a novel nanocomposite was prepared from biochar from agricultural waste (corn cob) and maghemite (γ-Fe2O3) nanoparticles, named PCCN, to remove four EDCs (triclosan, 17α-ethinylestradiol, methylparaben, and bisphenol A) from aqueous solutions by adsorption. For the characterization of PCCN, the advanced techniques Fourier transform infrared spectroscopy (FTIR), Brunauer-Emmett-Teller analysis (BET), pH of point of zero charge (pHpzc), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and thermogravimetry (TGA) were employed. Competitive adsorption equilibrium studies of EDCs were performed with PCCN and compared to unmodified biochar (PCC). The pH effect showed that optimal adsorption of EDCs was at pH 8.0 for PCC and pH 6.0 for PCCN. The salt concentration did not influence EDCs in the adsorption. In the adsorption isotherm, the results fitted the Freundlich isotherm model (R2 > 0.903) and the adsorption kinetics were well described by the pseudo-second-order model (R2 > 0.985). Furthermore, the desorption studies indicated that the PCCN can be reused. Thus, the investigation suggests PCCN has promising potential in the removal of EDCs from wastewater. treatment (EDCs health study corn cob γFe2O3 γFeO γ Fe2O3 Fe O (γ-Fe2O3 nanoparticles triclosan, triclosan (triclosan 17αethinylestradiol, 17αethinylestradiol αethinylestradiol 17α ethinylestradiol, ethinylestradiol α 17α-ethinylestradiol methylparaben A FTIR, FTIR , (FTIR) BrunauerEmmettTeller Brunauer Emmett Teller BET, BET (BET) pHpzc, pHpzc (pHpzc) SEM, SEM (SEM) TEM, TEM (TEM) Xray X ray XRD (XRD TGA (TGA employed PCC. . (PCC) 80 8 0 8. 60 6 6. R2 R (R 0.903 0903 903 pseudosecondorder pseudo second order 0.985. 0985 0.985 985 0.985) Furthermore reused Thus wastewater γFe γFe2O FeO Fe2O (γ-Fe2O (FTIR (BET (pHpzc (SEM (TEM (PCC 0.90 090 90 098 0.98 98 0.9 09 9 0.

This work evaluated the use of corncob as a support for the immobilization of an extracellular fructosyltransferase (E.C. 2.4.1.9) from Aspergillus oryzae IPT-301, aiming at the synthesis of a stable biocatalyst for the production of fructooligosaccharides. The transfructosylation activity of the immobilized enzyme was maximized via experimental design. Additionally, the biochemical properties and stability of the immobilized enzyme, as well as the reaction kinetics, were determined. The enzyme immobilized on alkali-treated corncob showed the highest transfructosylation activity at 50 °C and pH 5.5. It also presented a wide pH stability and a half-life around 1.4 times greater than the soluble enzyme. Furthermore, the immobilized enzyme showed 53% of retention of catalytic activity in a second consecutive reaction cycle, showing the potential for reuse. These results suggest that alkali-treated corncob is a promising support material for the synthesis of heterogeneous biocatalysts aiming at fructooligosaccharide production, which can contribute to the valorization of this abundant agro-waste. E.C. EC E C (E.C 2.4.1.9 2419 2 4 1 9 IPT301, IPT301 IPT 301, 301 IPT-301 fructooligosaccharides design Additionally kinetics determined alkalitreated alkali treated 5 55 5.5 halflife half life 14 1. Furthermore 53 cycle reuse agrowaste. agrowaste agro waste. waste agro-waste E.C 2.4.1. 241 IPT30 30 IPT-30 5. 2.4.1 24 IPT3 3 IPT-3 2.4. IPT- 2.4 2.