Time domain NMR for polymorphism characterization: Current status and future perspectives.

Polymorphism is the ability of a compound to exist in multiple crystal forms while maintaining the same chemical composition. This phenomenon is reflected in different solid-state physicochemical properties due to variations in structural energy and the degree of lattice disorder. The pharmaceutical industry places significant emphasis on thoroughly characterizing polymorphism in Active Pharmaceutical Ingredients (APIs) because of its impact on the pharmacokinetic properties on the final medicine product.

Performance, Meat Quality and Meat Metabolomics Outcomes: Efficacy of 3-Nitrooxypropanol in Feedlot Beef Cattle Diets.

30 Nellore animals with an average weight of 407.25 ± 2.04 kg, were distributed in a completely randomized design across the following treatments: 1-Control (without inclusion of 3-NOP); 2-BV75 (inclusion of 3-NOP at 75 mg/kg DM); 3-BV100 (inclusion of 3-NOP at 100 mg/kg DM).

Lipidome and metabolome profiling of longissimus lumborum beef with different ultimate pH and postmortem aging.

The objective of this exploratory study was to assess the changes on lipidome and metabolome profiling of Longissimus lumborum bull muscle with different ultimate pH (pHu) and aging periods. The bull muscles classified as normal, intermediate, or high pHu were collected from a Brazilian commercial slaughterhouse, cut into steaks, individually vacuum-packaged, and aged for 3 days (3-d) or 21 days (21-d) at 2 °C. Muscle extracts were analyzed for the profiles of both lipids, by mass spectrometry (via direct flow-injection), and metabolites, by nuclear magnetic resonance, with downstream multivariate data analysis.

NMR Fingerprinting of Conventional and Genetically Modified Soybean Plants with AtAREB1 Transcription Factors.

Drought stress impacts soybean yields and physiological processes. However, the insertion of the activated form of the AtAREB1 gene in the soybean cultivar BR16, which is sensitive to water deficit, improved the drought response of the genetically modified plants. Thus, in this study, we used H NMR in solution and solid-state NMR to investigate the response of genetically modified soybean overexpressing AtAREB1 under water deficiency conditions.

Nanostructured gadolinium(III) micelles: Synthesis, characterization, cytotoxic activities, and MRI applications in vivo.

Gadolinium-based contrast agents (GBCAs) are used in around 40 % of MRI procedures. Despite initial perceptions of minimal risk, their long-term use has emphasized the need to reduce toxicity and develop more efficient GBCAs with extended blood retention. Advancements in nanomaterials have led to improved GBCAs, enhancing MRI diagnostics.

Influence of plant growth-promoting bacteria on leaf carbon and nitrogen metabolism of two drought-stressed neotropical tree species: a metabolomic approach.

Deforestation of Atlantic Forest has caused prolonged drought events in the last decades. The need for reforestation is growing, and the development of native seedlings that are more tolerant to drought stress is necessary. A biotechnological tool that improves plant tolerance is the use of plant growth-promoting bacteria (PGPB) as inoculants.

NMR Longitudinal Rotating Frame Relaxation Time (T) with a Weak Spin Locking Field as an Approach to Characterize Solid-State Active Pharmaceutical Ingredients: Proof of Concept.

Nuclear magnetic resonance (NMR) longitudinal rotating frame relaxation time (T), rarely used in low-field NMR, can be more effective than conventional T and T relaxation times to differentiate polymorphic forms of solid pharmaceuticals. This could be attributed to T sensibility to structural and molecular dynamics that can be enhanced by changing the strength of the oscillating magnetic field () of spinlock pulses. Here, we compared the capacity of T, T, and T to differentiate inactive (A) and active (C) crystalline forms of the World Health Organization essential drug Mebendazole.

Impact of ZrO Content on the Formation of Sr-Enriched Phosphates in AlO/ZrO Nanocomposites for Bone Tissue Engineering.

This study investigates the profound impact of the ZrO inclusion volume on the characteristics of AlO/ZrO nanocomposites, particularly influencing the formation of calcium phosphates on the surface. This research, aimed at advancing tissue engineering, prepared nanocomposites with 5, 10, and 15 vol% ZrO, subjecting them to chemical surface treatment for enhanced calcium phosphate deposition sites. Biomimetic coating with Sr-enriched simulated body fluid (SBF) further enhanced the bioactivity of nanocomposites.

Activity of a Recombinant Chitinase of the Ant on Different Forms of Chitin and Its Fungicidal Effect against .

This study evaluates the activity of a recombinant chitinase from the leaf-cutting ant (AsChtII-C4B1) against colloidal and solid α- and β-chitin substrates. H NMR analyses of the reaction media showed the formation of N-acetylglucosamine (GlcNAc) as the hydrolysis product. Viscometry analyses revealed a reduction in the viscosity of chitin solutions, indicating that the enzyme decreases their molecular masses.

Ruminal and feces metabolites associated with feed efficiency, water intake and methane emission in Nelore bulls.

The objectives of this study were twofold: (1) to identify potential differences in the ruminal and fecal metabolite profiles of Nelore bulls under different nutritional interventions; and (2) to identify metabolites associated with cattle sustainability related-traits. We used different nutritional interventions in the feedlot: conventional (Conv; n = 26), and by-product (ByPr, n = 26). Thirty-eight ruminal fluid and 27 fecal metabolites were significantly different (P < 0.

Muscle growth affects the metabolome of the pectoralis major muscle in red-winged tinamou (Rhynchotus rufescens).

The aim of the present study was to identify and quantify the metabolites (metabolome analysis) of the pectoralis major muscle in male red-winged tinamou (Rhynchotus rufescens) selected for growth traits. A selection index was developed for females [body weight (BW), chest circumference (CC), and thigh circumference (TC)] and males [BW, CC, TC, semen volume, and sperm concentration] in order to divide the animals into 2 experimental groups: selection group with a higher index (TinamouS) and commercial group with a lower index (TinamouC). Twenty male offspring of the 2 groups (TinamouS, n = 10; TinamouC, n = 10) were confined for 350 d.

Quality Attributes and Metabolic Profiles of Uvaia (), a Native Brazilian Atlantic Forest Fruit.

The uvaia is a native Brazilian Atlantic Forest Myrtaceae fruit with a soft pulp, ranging from yellow to orange, with a sweet acidic flavor and sweet fruity aroma. Uvaias present consumption potential, but their physicochemical characteristics are still understudied. In this context, we describe herein the metabolites of uvaia that have been determined by nuclear magnetic resonance spectroscopy.

NMR-Based Metabolomics Reveals Effects of Water Stress in the Primary and Specialized Metabolisms of L. (Fabaceae).

is a plant used in Brazilian traditional medicine for the treatment of diabetes. Phytochemical studies revealed flavonoids and the saccharide pinitol related to hypoglycemic activity of the species. To determine the effects of water deficit on ecophysiological parameter and metabolite fingerprints of , specimens were treated with the following water regimens under greenhouse conditions: daily watering (control), watering every 7 days (group 7D), and watering every 15 days (group 15D).

Dynamics of the role of LacMeta laccase in the complete degradation and detoxification of malachite green.

Laccases highlight for xenobiotic bioremediation, as well as application in the fine chemical, textile, biofuel and food industries. In a previous work, we described the preliminary characterization of laccase LacMeta, a promising enzyme for the bioremediation of dyes, able to decolorization malachite green (MG), trypan blue, methylene blue. Here we demonstrate that LacMeta is indeed suitable for the complete degradation and detoxification of MG dye, not just for its discoloration, since some works show false positives due to the formation of colorless intermediates such as leucomalachite.

Magnetic Resonance and Vibrational Spectroscopy and Imaging in Food Analysis.

In the past two decades, there have been remarkable changes in the way we analyze the physical, chemical, and sensory properties of fresh and processed food products, with the progressive replacement of traditional wet analytical methods (destructive, laborious, time-consuming, and requiring the use of hazardous chemicals) with new, fast, non-destructive physical methods where the analysis is performed in a single step, after validation, and without the use of chemical reagents [...

Effect of the application of vermicompost and millicompost humic acids about the soybean microbiome under water restriction conditions.

Humic substances (HSs) are constituent fractions of organic matter and are highly complex and biologically active. These substances include humic acids (HA), fulvic acids (FA), and humin. HS are known to stimulate the root system and plant growth and to mitigate stress damage, including hydric stress.

Miniaturized Carbon Fiber Paper Electrodes for In Situ High Resolution NMR Analyses.

Combining spectroscopic techniques with electrochemistry is a promising strategy, as it allows the detailed investigation of the species that are consumed and produced by the reaction in real time. However, as with any in situ coupling technique, the junction between NMR and electrochemistry presents some challenges, notably the distortion of NMR signals due to the placement of electrodes close to or within the detection region. In this work, miniaturized electrodes made of carbon fiber paper were developed and later modified with platinum.

Head-to-Tail and Head-to-Head Molecular Chains of Poly(-Anisidine): Combined Experimental and Theoretical Evaluation.

Poly(-anisidine) (PPA) is a polyaniline derivative presenting a methoxy (-OCH) group at the position of the phenyl ring. Considering the important role of conjugated polymers in novel technological applications, a systematic, combined experimental and theoretical investigation was performed to obtain more insight into the crystallization process of PPA. Conventional oxidative polymerization of -anisidine monomer was based on a central composite rotational design (CCRD).

Non-Invasive Method to Predict the Composition of Requeijão Cremoso Directly in Commercial Packages Using Time Domain NMR Relaxometry and Chemometrics.

Low Field Time-Domain Nuclear Magnetic Resonance (TD-NMR) relaxometry was used to determine moisture, fat, and defatted dry matter contents in "requeijão cremoso" (RC) processed cheese directly in commercial packaged (plastic cups or tubes with approximately 200 g). Forty-five samples of commercial RC types (traditional, light, lactose-free, vegan, and fiber) were analyzed using longitudinal (T) and transverse (T) relaxation measurements in a wide bore Halbach magnet (0.23 T) with a 100 mm probe.

Impact of Cattle Feeding Strategy on the Beef Metabolome.

The present study explored changes in the meat metabolome of animals subjected to different finishing systems and growth rates. Thirty-six Angus × Nellore crossbred steers were used in a completely randomized design with four treatments: (1) feedlot system with high average daily gain (ADG; FH); (2) feedlot system with low ADG (FL); (3) pasture system with high ADG (PH); and (4) pasture system with low ADG (PL). After harvest and chilling, (LT) muscle samples were taken for metabolite profile analysis using nuclear magnetic resonance.

Fruit quality parameters and volatile compounds from 'Palmer' mangoes with internal breakdown.

The internal breakdown (IB) is a premature and uneven mango pulp ripening physiological disorder that is noticed only when the fruit is sliced for consumption. Thus, there is a demand for analytical methods to detect IB in mangoes to avoid consumer dissatisfaction and reduce postharvest waste. In this work, physicochemical and volatile compounds were determined to evaluate the ability to predict pulp IB.

Monitoring Stimulated Darkening from UV-C Light on Different Bean Genotypes by NMR Spectroscopy.

The use of UV-C cool white light on bean ( L.) seeds significantly increases the biochemical seed coat post-harvest darkening process, whilst preserving seed germination. The aim of this work consists in monitoring the effect caused by the incidence of UV-C light on different bean genotypes using NMR spectroscopy.

Composite Graphite-Epoxy Electrodes for In Situ Electrochemistry Coupling with High Resolution NMR.

The in situ coupling between electrochemistry and spectrometric techniques can help in the identification and quantification of the compounds produced and consumed during electrochemical reactions. The combination of electrochemistry with nuclear magnetic resonance is quite attractive in this respect, but it has some challenges to be addressed, namely, the reduction in the quality of the NMR signal when the metallic electrodes are placed close to or in the detection region. Since NMR is not a passive technique, the convective effect of the magnetic force (magnetoelectrolysis), which acts by mixing the solution and increasing the mass transport, has to be considered.

Real-Time Monitoring Polymerization Reactions Using Dipolar Echoes in H Time Domain NMR at a Low Magnetic Field.

H time domain nuclear magnetic resonance (H TD-NMR) at a low magnetic field becomes a powerful technique for the structure and dynamics characterization of soft organic materials. This relies mostly on the method sensitivity to the H-H magnetic dipolar couplings, which depend on the molecular orientation with respect to the applied magnetic field. On the other hand, the good sensitivity of the H detection makes it possible to monitor real time processes that modify the dipolar coupling as a result of changes in the molecular mobility.