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Plant growth regulators (PGRs) are involved in multiple aspects of plant life, including plant growth, development, and response to environmental stimuli. They are also vital for the formation of secondary metabolites in various plants. Salvia miltiorrhiza is a famous herbal medicine and has been used commonly for > 2000 years in China, as well as widely used in many other countries. S. miltiorrhiza is extensively used to treat cardiovascular and cerebrovascular diseases in clinical practices and has specific merit against various diseases. Owing to its outstanding medicinal and commercial potential, S. miltiorrhiza has been extensively investigated as an ideal model system for medicinal plant biology. Tanshinones and phenolic acids are primary pharmacological constituents of S. miltiorrhiza. As the growing market for S. miltiorrhiza, the enhancement of its bioactive compounds has become a research hotspot. S. miltiorrhiza exhibits a significant response to various PGRs in the production of phenolic acids and tanshinones. Here, we briefly review the biosynthesis and signal transduction of PGRs in plants. The effects and mechanisms of PGRs on bioactive compound production in S. miltiorrhiza are systematically summarized and future research is discussed. This article provides a scientific basis for further research, cultivation, and metabolic engineering in S. miltiorrhiza. [ABSTRACT FROM AUTHOR]

Background: The objective of this study is to assess the risk of exposure of polycyclic aromatic hydrocarbons (PAHs) and heterocyclic aromatic amines (HCAs) in meat and fish-based products marketed in Malaysia using the margin of exposure (MOE) approach. Methods: Benchmark Dose (BMD) software was used to model the BMD at a lower end of a one-sided 95% confidence interval with a 10% incremental risk (BMDL10) of PAHs and HCAs from different target organ toxicities. The MOEs of PAHs and HCAs in meat and fish-based products were determined by utilising the calculated BMDL10 values and estimated daily intake of meat and fish-based products from published data. Results: The calculated BMDL10 values of PAHs (i.e. benzo[a]pyrene [BaP] and fluoranthene [FA]) and HCAs (i.e. 2-amino-3,8,dimethylimidazo[4,5-f]quinoxaline [MeIQx] and 2-amino-1-methyl-6-phenylimidazo[4,5,6]pyridine [PhIP]) ranged from 19 mg/kg bw/day to 71,801 mg/kg bw/day. The MOE of BaP ranged from 41,895 to 71,801 and that of FA ranged from 19 to 1412. As for MeIQx and PhIP, their MOEs ranged from 6,322 to 7,652 and from 2,362 to 14,390, respectively. Conclusion: The MOEs of FA, MeIQx and PhIP were lower than 10,000, indicating a high concern for human health and therefore demanding effective risk management actions. [ABSTRACT FROM AUTHOR]

The present study evaluated the applicability of 1H NMR and UV-Vis spectroscopies as analytical techniques for the characterization and determination of biodiesel conversion and for monitoring the oxidative stability of biodiesel samples with antioxidants. For this study, safflower and babassu biodiesels were obtained through transesterification, and physicochemical properties confirmed the success of both reactions. A bench-top accelerated oxidation system was used as an alternative to the Rancimat® method, with samples of 6.0 g heated at 110 ± 5 °C and collected every 2 h for 12 h. The agreement for biodiesel conversions was good, with divergences between 2% and 0.4% for safflower biodiesel and 1.9% for babassu biodiesel. As for UV-Vis spectroscopy, the technique showed the same trend as the Rancimat® method, showing efficiency in evaluating the oxidative stability of safflower biodiesel and in the performance of antioxidants BHT and DMP-30. The accuracy of NMR signals integration for mixtures of safflower oil and safflower biodiesel and the use of UV-Vis spectroscopy associated with a bench-top accelerated oxidation system to investigate the performance of phenolic and amine antioxidants in safflower and babassu biodiesel were explored for the first time, showing results close to the standard methods. Therefore, 1H NMR and UV-Vis spectroscopies could be applied as alternatives to the GC and Rancimat® methods to determine conversion and monitor the oxidative stability of biodiesel rapidly and practically. [ABSTRACT FROM AUTHOR]

Quantum dots are semiconductor nanoparticles with optical and electronic (optoelectronic) properties that vary with size and composition. They distinguish themselves from traditional fluorescence dyes due to their high visibility, long-lasting, size-tuneable, and narrow luminescence. Quantum dots are being used for a wide range of biological applications, including fluorescent assays for drug development, disease detection, single protein monitoring, and intracellular reporting. This mini review will focus on the overview of bioconjugation techniques which include the covalent and non-covalent conjugation of quantum dots surface to the active functional groups of carboxyl, amine, thiol, epoxy, hydroxyl and aldehyde. The various type of bioconjugation should be carefully selected based on the application of the quantum dots and the critical criteria of a biocompatible quantum dots will be also discussed. Recent application of quantum dots in biological system in bioimaging, bioanalytical, biosensing and drug delivery were laid out. The future outlook and the reality of quantum dots application in biological system were highlighted as the conclusion of this mini review. [ABSTRACT FROM AUTHOR]

Primary aromatic amines (PAAs) are a class of hazardous substances where many compounds are classified as carcinogen, mutagen, and reproduction toxin (CMR). PAAs can be taken up by dermal exposure. In the polyurethane industry, a valid and trustworthy method for the quantification of PAAs in the presence of isocyanates that could interfere is of great interest, especially on workplaces where a regular contact to PAAs cannot be excluded. The aim of this work is the development, validation, and verification of a novel sampling device to quantify selectively the PAA load on work surfaces. We describe the synthesis of Cell-ßALA-PEMSA analytical papers and their characterization by infrared spectroscopy and thermogravimetric analysis. The recovery of TDA and MDA spiked on these filters is satisfactory. An excellent selectivity of Cell-ßALA-PEMSA papers towards PAAs in the presence of isocyanates of almost 100% was found by wipe tests of amine/isocyanate contaminated surfaces. First positive field tests were achieved at certain areas in a Polyurethane Technical Application Department where surface contamination with PAAs was expected, and the Cell-ßALA-PEMSA analytical papers were superior to an established method of surface sampling. However, recovery of these amines from surfaces shows a large variability, and more work is required to address influencing surface properties. [ABSTRACT FROM AUTHOR]

Municipal Solid Waste (MSW) contains materials of biogenic and non-biogenic origin. When incinerated, the biogenic component produces CO2, which does not lead to an increase in atmospheric CO2 levels. For WtE plants operating on MSW with a significant biogenic component, Carbon Capture Utilization and Storage (CCUS) can provide a path to negative CO2 emissions by producing energy and managing locally produced waste.This work focuses on the study of a process for treating a flue gas stream from WtE in an Italian context, i.e. the incinerator plant located in Como, to remove CO2 that is, then, planned to be utilized. The CO2 capture process is based on chemical absorption by two different amine solvents: MonoEthanolAmine and Piperazine. The design of the CO2 removal section has been carried out specifically for the considered flue gas to be treated, containing about 7 mol % CO2, by selecting the main process parameters (e.g., absorber packing height, regenerator packing height, lean loading, gas inlet temperature, solvent inlet temperature, regenerator pressure) in order to optimize the reboiler duty and the water requirement. The performances of the two processes have been compared for the same 90 % removal of CO2. [ABSTRACT FROM AUTHOR]

The amine/phenol-metabolome of rumen fluid was analyzed to identify amino acid metabolism-related biomarkers associated with phenotypic selection for low or high residual feed intake (RFI) in beef cattle. Fourteen beef steers (most feed-efficient (HFE; RFI = −1.89 kg/d, n = 7) and least feed-efficient (LFE; RFI = +2.05 kg/d, n = 7)) were selected from a total of 56 crossbred growing beef steers (average BW = 261 ± 18.5 kg) after a 49-d feeding period in a dry lot equipped with two GrowSafe intake nodes. Rumen fluid samples were collected 4 h after feeding on d 56, 63, and 70 from the HFE and LFE beef steers. Metabolome analysis of the rumen fluid was performed using chemical isotope labeling/liquid chromatography-mass spectrometry to identify all metabolites containing amine/phenol chemical groups, which are mostly amino acid metabolites. A total of 493 metabolites were detected and identified in the rumen fluid. The partial least squares discriminant scores plot showed a slight separation between the two groups of steers, and a total of eight metabolites were found to be differentially abundant (FDR ≤ 0.05). Out of the eight differentially abundant metabolites, four metabolites (isomer 1 of cadaverine, baeocystin, 6-methyladenine, and N(6)-methyllysine) qualified as candidate biomarkers of divergent RFI phenotype based on area under the curve ≥ 0.70. The results of this study revealed that divergent RFI phenotype is associated with alteration in rumen amine/phenol-metabolome of beef steers. [ABSTRACT FROM AUTHOR]

This work presents the flotation of a sub-bituminous coal using 1-butylamine as a short-chain amine collector. The flotation results have been obtained with 1-butylamine (coal yield: 100%) and compared with those achieved with a quaternary amine (coal yield: 95.4%), kerosene (coal yield: 100%) and diesel (coal yield: 95.7%). The best results have been obtained with 1-butylamine. Less depressant effect has been observed with 1-butylamine. The FTIR signals have been attenuated when the coal is conditioned with 1-butylamine. Zeta potential measurements have also been changed after conditioning. The contact angle of water and graphite has decreased from 82.3° to 32.2°. An optimization has been performed using a Box-Behnken experimental design. Flotation has significantly affected by time and collector dosage. The pH is not a significant factor. The optimal conditions for the best efficiency using 1-butylamine as a collector are 2.0 min of flotation and 10-3 mol/L of collector. [ABSTRACT FROM AUTHOR]

Background Most intracranial stents contain nickel alloy, and nickel allergy or hypersensitivity is common. Neurological injury following endovascular treatment with a nickel containing intracranial stent has been reported in patients with purported nickel allergy, but it is unclear whether these reactions represent true nickel hypersensitivity. We quantified nickel release from commonly used intracranial stents to investigate whether such stents should be avoided in patients with nickel allergy. Methods We examined nickel release from seven commonly used intracranial stents: Enterprise, LVIS Jr, Neuroform, Wingspan, Zilver, Pipeline Flex Embolization Device, and Surpass Evolve. We incubated each stent in human plasma-like media for 30 days. Dimethylglyoxime (DMG) spot testing was performed on each stent to detect released nickel at 0 and 30 days. Inductively coupled plasma-optical emission spectroscopy (ICP-OES) was then used to quantify the nickel concentration of the media at 30 days. Nickel currency and nickel standard for atomic absorption spectrometry were used as positive controls. Results DMG spot tests indicated nickel release only from nickel currency at 0 and 30 days of incubation. No nickel release was detected from any stent at 30 days using ICP-OES. Conclusions Nickel release from commonly used intracranial stents is negligible. These results suggest that previously reported hypersensitivity to these stents may be misattributed to nickel allergy, and that patients with nickel allergy may be safely treated with select nickel-containing stents. [ABSTRACT FROM AUTHOR]

In this study, the effective parameters in mass transfer in the process of gas absorption in the bubble column by amine solvents have been investigated. Also, the aim of this study is to present a general and accurate correlation with the least simplifying assumptions to calculate the mass transfer flux of gas phase to liquid phase components in three electrolyte systems MDEAPz, MEA-Pz, and MEA-MDEA. The effect of parameters on mass transfer such as retention time, apparent gas velocity, liquid phase properties, operating conditions, type of distributor, and bubble characteristics was analyzed. Effective parameters were expressed to achieve functional correlations using dimensionless numbers using the pi-Buckingham theorem. The correlation coefficients for MDEA-Pz, MEA-Pz, and MDEAMEA were obtained at 0.951, 0.981, and 0.924, respectively. The mean relative error obtained from predicting the mass transfer flux correlation for all three MDEA-Pz, MEA-Pz, and MDEA-MEA amine combination systems was 3.6, 4.5, and 4.8%, respectively. The results showed that the proposed correlations for mass transfer flux compared to other correlations have high accuracy. [ABSTRACT FROM AUTHOR]

In order to develop antiviral drugs, we utilized pterodontic acid (Poa-1) as a lead compound and conducted various modifications, including oxidation, reduction, addition, esterification, and acylation, resulting in the synthesis of 29 derivatives, of which 25 were novel acylation derivatives. Cell-level validation demonstrated that 4 derivatives exhibited significant inhibitory effects on the influenza A virus (H1N1), with an IC 50 = 4.04–36.13 μM. Notably, four acylation derivatives (compounds IIE5 , IIE6 , IIE9 , and IIE17) exhibited specific antiviral activities against influenza A virus (H1N1) with low cytotoxicity, indicating favorable therapeutic indices (SI = 3.5–11.9). Structure-activity relationship studies indicated that C5–C6 olefins are essential groups for antiviral activity, C11–C12 conjugated olefins will not interfere with antiviral activity. Carboxylic acid is an essential group for activity. Moreover，Carboxylic acid acylation can improve antiviral activity, and the inclusion of guanidine, cyclic amine, and phenyl groups with electron-donating substituents could enhance the antiviral activity of the lead compound. Natural products structural modifications are capable of improving the biological activity of lead compounds, offering a rapid pathway for the development of potent new structures. [Display omitted] [ABSTRACT FROM AUTHOR]

The unidentified infrared (UIR) bands, whose carriers are thought to be organics, have been widely observed in various astrophysical environments. However, our knowledge of the detailed chemical composition and formation process of the carriers is still limited. We have synthesized laboratory organics named Quenched Nitrogen-included Carbonaceous Composite (QNCC) by quenching plasma produced from nitrogen gas and hydrocarbon solids. Infrared and X-ray analyses of QNCC showed that infrared properties of QNCC well reproduce the UIR bands observed in novae and amine structures contained in QNCC play an important role in the origin of the broad 8 m feature, which characterizes the UIR bands in novae. QNCC is at present the best laboratory analog of organic dust formed around dusty classical novae, which carries the UIR bands in novae via thermal emission process [Endo et al.(2021)]. [ABSTRACT FROM AUTHOR]

Manilkara zapota (L.) P. Royen , also termed sapodilla or chikoo, is a significant plant in ethnomedicine because of its long history of traditional medical applications. In diverse cultures, sapodilla is believed to protect against oxidative stress, inflammation, and some chronic diseases because of its high antioxidant content. The naturally occurring antioxidant myricitrin (MYR) flavonoid is primarily found in the leaves and other plant parts of sapodilla and it is well-known for having therapeutic qualities and possible health advantages. To appraise the possible impact of MYR on a rat model of reserpine-induced fibromyalgia (FM) and explore its mechanism of action. Isolation and identification of MYR with more than 99% purity from Manilkara zapota leaves were primarily done and confirmed through chromatographic and spectrophotometric techniques. To develop FM model, reserpine (RSP) was injected daily (1 mg/kg, s.c.) for three successive days. Then, MYR (10 mg/kg, i.p.) and pregabalin (PGB, 30 mg/kg, p.o.) were given daily for another five days. Behavioral changes were assessed through open field test (OFT), hot plate test, and forced swimming test (FST). Further analyses of different brain parameters and signaling pathways were performed to assess monoamines levels, oxidative stress, inflammatory response, apoptotic changes as well as silent information regulator 1 (SIRT1) and micro RNAs (miRNAs) expressions. From High-Performance Liquid Chromatography (HPLC) analysis, the methanol extract of sapodilla leaves contains 166.17 μg/ml of MYR. Results of behavioral tests showed a significant improvement in RSP-induced nociceptive stimulation, reduced locomotion and exploration and depressive-like behavior by MYR. Biochemical analyses showed that MYR significantly ameliorated the RSP-induced imbalance in brain monoamine neurotransmitters. In addition, MYR significantly attenuated oxidative stress elicited by RSP via up-regulating nuclear factor erythroid 2-related factor 2 (Nrf2) and heme oxygenase-1 (HO-1) protein expressions, enhancing superoxide dismutase (SOD) and catalase (CAT) activities, and reducing malondialdehyde (MDA) content in brain. The RSP-provoked inflammatory response was also diminished by MYR treatment as shown by a significant decreased NOD-like receptor protein 3 (NLRP3) inflammasome expression along with reduced levels of interleukin 1 beta (IL-1β) and nuclear factor-κB (NF-κB). Furthermore, the anti-apoptotic activity of MYR was demonstrated by a marked rise in Bcl-2-associated X protein (BAX)/B cell lymphoma-2 (Bcl-2) ratio by lowering Bcl-2 while increasing BAX levels. In addition, MYR treatment significantly boosted the expression of SIRT1 deacetylase in RSP-treated animals. Interestingly, molecular docking showed the ability of MYR to form a stable complex in the binding site of SIRT1. Regarding miRNAs, MYR effectively ameliorated RSP-induced changes in miR-320 and miR-107 gene expressions. Our findings afford new insights into the anti-nociceptive profile of MYR in the RSP-induced FM model in rats. The underlying mechanisms involved direct binding and activation of SIRT1 to influence different signaling cascades, including Nrf2 and NF-κB/NLRP3 together with modulation of miRNAs. However, more in-depth studies are needed before proposing MYR as a new clinically relevant drug in the management of FM. • The flavonoid MYR was isolated from Manilkara zapota leaves and quantified using HPLC. • MYR improved nociceptive and depressive-like behavior induced by RSP in rats. • MYR ameliorated RSP-induced brain oxidative stress, inflammation and apoptosis. • MYR directly bound to and activated SIRT1 to affect Nrf2 and NF-κB/NLRP3 pathways. • MYR modulated miRNA-320 and miRNA-107 gene expression in RSP-treated rats. [ABSTRACT FROM AUTHOR]

• Catalytic mechanism was elucidated from DFT calculations. • Origin of enantioselectivity and branch-regioselectivity were discussed thoroughly. And the TS interaction energy decided the enantioselectivity, and both the distorted energy of the NHPh group and the TS interaction energy were the key factors determining the branched regioselectivity. • Structure and reactivity of σ,η[ 3 ]-allyl cobalt species were discussed in detail. • The reactivity of racemic n-propyl allylic carbonates was similar, and (S)- n-propyl allylic carbonate was a little more reactive relative to (R)- n-propyl allylic carbonate. Cobalt-bisoxazolinephosphine-catalyzed regio- and enantioselective allylic amination of racemic n-propyl allylic carbonate and aniline was investigated by DFT calculations at the ωB97XD/6–31G(d,p) level (SDD for Co). The computational results revealed that cobalt-catalyzed allylic amination underwent mainly through oxidative addition of n-propyl allylic carbonate, coordination of aniline to cobalt, hydrogen migration, isomerization of allyl group, and reductive elimination. The oxidative addition of n-propyl allylic carbonate was the rate-determining step, the reductive elimination was the regioselectivity-limited and enantioselectivity-controlling step, and the most favorable product was of (R)-chirality, which was compatible with the experimental results. The oxidative addition, hydrogen migration, reductive elimination, and the reactivity of racemic n-propyl allylic carbonates were discussed at full length in this text. [Display omitted] [ABSTRACT FROM AUTHOR]

Background: Caries prevalence has declined significantly since the introduction of fluoridated toothpaste. There have been several developments regarding specific active fluoride ingredients but not enough evidence to support one over the other. The purpose of this double-blind randomized controlled trial was to compare salivary fluoride concentrations of different fluoride formulations in the form of toothpaste with and without post-brushing water rinsing in adults. Methods: The study included 120 participants who were randomly assigned to one of 12 groups (10 participants/group). The toothpaste formulas investigated included (1) fluoride-free (0 ppmF); (2) sodium fluoride (1450 ppmF); (3) sodium monofluorophosphate (1450 ppmF); (4) sodium fluoride and monofluorophosphate combined (1450 ppmF); (5) stannous fluoride and sodium fluoride combined (1450 ppmF); and (6) amine fluoride (1400 ppmF). Block randomisation was used to assign each participant to one of the 12 groups. Participants brushed with 1.0 g of one of the six different toothpaste formulations either with or without post-brushing water rinsing. Saliva was collected at six different times (baseline and at 1, 15, 30, 60, and 90 min/s post-brushing). Samples were analysed using a fluoride ion-specific sensitive electrode connected to an ion analyser. Results: The demographic characteristics of the participants were not significantly different among the groups (P > 0.05). Time, toothpaste formulation, and post-brushing rinsing routines had significant effects on saliva fluoride retention (P < 0.05). Amine fluoride-containing toothpaste was the only formula that showed statistically significantly higher concentrations of salivary fluoride at 90 min in both the rinsing and non-rinsing groups. Sodium monofluorophosphate toothpaste did not result in a significant difference compared to the control group at any time point, in both rinsing and non-rinsing groups. Conclusions: Based on the results from this study, no rinsing after toothbrushing in adults can be recommended when sodium monofluorophosphate containing toothpaste formula is used. It also concludes that amine fluoride resulted in a significantly higher saliva fluoride concentration at 90 min in both the rinsing and non-rinsing groups compared to other fluoride toothpaste formulations. Registry: Protocol Registration and Results System (ClinicalTrials.gov). Clinical trial registration number: NCT02740803 (15/04/2016). [ABSTRACT FROM AUTHOR]

The potential deodorizing effects of Saccharina japonica have been evaluated by determining their deodorizing performance, but they are yet to be validated in experimental animals. The deodorizing effects of S. japonica were examined in an animal model using a novel odor marker associated with aging by comparing the concentration of odor component in urine obtained from two- and 10-month-old ICR mice using gas chromatography-mass spectrometry (GC-MS), and the changes in the trimethylamine (TMA) concentration, ammonia level, and structure of sweat gland were determined after exposing 10-month-old ICR mice to 70% ethanol extract of S. japonica (EESJ) for four weeks. In vitro analysis was performed to confirm the composition of EESJ with respect to the total flavonoid contents (TFC, 28.6 ± 2.5 mg/g), total polyphenol contents (TPC, 107.3 ± 8.9 mg/g), and total condensed tannin contents (TTC, 65.7 ± 5.2 mg/g) contents, as well as to the deodorizing performance to ammonia and acetic acid (91.2 ± 7.8% and 54.8 ± 6.3%, respectively). In vivo analysis revealed TMA to be the novel odor marker associated with aging among the 19 odor components evaluated, considering the higher concentration in the urine of 10-month-old ICR mice. The peak area of TMA on the gas chromatogram was significantly lower in the 10-month-old ICR mice treated with EESJ than in the two-month-old mice. A similar decrease was observed in the level of ammonia obtained from the dirty bedding of the EESJ-treated group. Moreover, tissues obtained from the mouse foot of the group exposed to EESJ showed a dose-dependent decrease in the gland tube number of sweat glands and the TMA dehydrogenase transcription level. Overall, these results provide novel evidence that the administration of EESJ helps reduce the body TMA and ammonia concentrations, resulting in reduced odor and a decrease in the number of sweat glands and the expression of TMA dehydrogenase in the ICR mouse feet. [ABSTRACT FROM AUTHOR]

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Heterocyclic aromatic amines (HCAs) are highly carcinogenic and mutagenic chemicals. This study reports on the development of magnetic molecularly imprinted polymers (MMIPs) for the purification and quantification of HCAs. A novel magnetic molecularly imprinted polymer was successfully prepared using a surface molecular imprinting method using functionalized Fe particles as the magnetic cores. 2-Amino-3-methylimidazo[4,5-f]quinoline (IQ) was used as a molecular template; methacrylic acid (MAA), ethylene glycol dimethyl acrylate (EGDMA), 2, 2'-Azobis (2-methyl-propionitrile) were used as the functional monomer, crosslinker, and initiator, respectively. The use of the template/ functional monomer/crosslinking agent at a ratio of 1:4:20 resulted in a product with better adsorption properties (3.24 mg/g). The HCAs were successfully detected and quantified in processed meat samples by MISPE and LC-MS/MS. Under the final optimized detection conditions, the proposed method offered good linearity (R > 0.995) for the five HCAs with an acceptable level of precision, and an LOQ of 0.05 ng/g was successfully achieved. [ABSTRACT FROM AUTHOR]

We critically review potential involvement of trimethylamine N-oxide (TMAO) as a link between diet, the gut microbiota and CVD. Generated primarily from dietary choline and carnitine by gut bacteria and hepatic flavin-containing mono-oxygenase (FMO) activity, TMAO could promote cardiometabolic disease when chronically elevated. However, control of circulating TMAO is poorly understood, and diet, age, body mass, sex hormones, renal clearance, FMO3 expression and genetic background may explain as little as 25 % of TMAO variance. The basis of elevations with obesity, diabetes, atherosclerosis or CHD is similarly ill-defined, although gut microbiota profiles/remodelling appear critical. Elevated TMAO could promote CVD via inflammation, oxidative stress, scavenger receptor up-regulation, reverse cholesterol transport (RCT) inhibition, and cardiovascular dysfunction. However, concentrations influencing inflammation, scavenger receptors and RCT (≥100 µm) are only achieved in advanced heart failure or chronic kidney disease (CKD), and greatly exceed pathogenicity of <1–5 µm levels implied in some TMAO–CVD associations. There is also evidence that CVD risk is insensitive to TMAO variance beyond these levels in omnivores and vegetarians, and that major TMAO sources are cardioprotective. Assessing available evidence suggests that modest elevations in TMAO (≤10 µm) are a non-pathogenic consequence of diverse risk factors (ageing, obesity, dyslipidaemia, insulin resistance/diabetes, renal dysfunction), indirectly reflecting CVD risk without participating mechanistically. Nonetheless, TMAO may surpass a pathogenic threshold as a consequence of CVD/CKD, secondarily promoting disease progression. TMAO might thus reflect early CVD risk while providing a prognostic biomarker or secondary target in established disease, although mechanistic contributions to CVD await confirmation. [ABSTRACT FROM AUTHOR]

• By engineering the substrate to mask the polar interactions between the carboxyl group and the enzyme, the constraints on the position of amino substitution have been lifted. • By adopting a strategy that combines substrate engineering with enzyme evolution, the spatial compatibility between enzyme and substrate has been enhanced, significantly boosting the catalytic activity of F- Bb AmDH towards keto esters. • The enzymatic-chemical cascade has successfully synthesized four types of non-α-amino acids with varying substitution positions, particularly δ and ε-amino acids, marking their first synthesis via a biocatalytic approach. Chiral non- α -amino acids are highly marketable compounds. However, present enzymatic synthesis predominantly targets the generation of β - and γ- amino acids, lacking biosynthetic routes for non-α-amino acids with amino substitutions at more remote positions due to specific polar interactions with substrate's carboxyl group. Substrate engineering via esterification is a crucial method for carboxyl group modification. Consequently, keto esters were selected as substrates, and asymmetric reductive amination of these esters with varying substitution positions was accomplished using amine dehydrogenase from Bacillus badius (F-Bb AmDH). The strategy of coupling substrate engineering with enzyme evolution was applied to enhance the compatibility between substrate and enzyme, thereby increasing the activity on β-, γ-, δ-, and ε-keto e sters by 13, 8, 9, and 40 times, respectively. Molecular dynamics simulations and kinetic parameters analysis revealed that substrate engineering and enzyme evolution boost nonpolar interactions and improve substrate binding affinity within the enzyme's active site. Ultimately, diverse non- α -amino acids was synthesized employing exceptional mutants, yielding substantial conversion and enantioselectivity exceeding 99 %. The synthesis encompassed β- and γ- amino acids, as well as δ- and ε- amino acids with more distal substitution positions. Consequently, an eco-friendly, enzymatic-chemical cascade for the synthesis of non- α -amino acids with distinct substitution patterns was successfully established. [Display omitted] [ABSTRACT FROM AUTHOR]

Background: Intense and continuous physical training in sports is related with psychological and physiological stress, affecting the health and well-being of athletes. The development of non-invasive sampling methodologies is essential to consider sweat as a potential biological fluid for stress biomarker assessment. In the current work, the identification in sweat samples of potential molecules that may be used as stress biomarkers was pursued. Methods: A sweat pool sample from football players after a 90-min intense training game was studied. Results: An analysis method using liquid chromatography with detection by tandem mass spectrometry (LC-MSMS) to attain a screening profile of sweat composition is presented. The major focus was on neurotransmitters (e.g. monoamines and metabolites) and other biological molecules related with physical training, such as precursors of biogenic amines (phenylaniline, tyrosine, etc.). Conclusions: This study allowed the identification of small biomolecules, neurotransmitters and other related molecules in sweat that are potentially associated with stress conditions. The developed methodology intends to contribute to the assessment and study of physical and psychological stress biomarkers related with intense sports using non-invasive methods. [ABSTRACT FROM AUTHOR]

Co-deletion of 1p/19q is a hallmark of oligodendroglioma and predicts better survival. However, little is understood about its metabolic characteristics. In this study, we aimed to explore the extracellular acidity of WHO grade II and III gliomas associated with 1p/19q co-deletion. We included 76 glioma patients who received amine chemical exchange saturation transfer (CEST) imaging at 3 T. Magnetic transfer ratio asymmetry (MTRasym) at 3.0 ppm was used as the pH-sensitive CEST biomarker, with higher MTRasym indicating lower pH. To control for the confounder factors, T2 relaxometry and l-6-18F-fluoro-3,4-dihydroxyphenylalnine (18F-FDOPA) PET data were collected in a subset of patients. We found a significantly lower MTRasym in 1p/19q co-deleted gliomas (co-deleted, 1.17% ± 0.32%; non-co-deleted, 1.72% ± 0.41%, P = 1.13 × 10−7), while FDOPA (P = 0.92) and T2 (P = 0.61) were not significantly affected. Receiver operating characteristic analysis confirmed that MTRasym could discriminate co-deletion status with an area under the curve of 0.85. In analysis of covariance, 1p/19q co-deletion status was the only significant contributor to the variability in MTRasym when controlling for age and FDOPA (P = 2.91 × 10−3) or T2 (P = 8.03 × 10−6). In conclusion, 1p/19q co-deleted gliomas were less acidic, which may be related to better prognosis. Amine CEST-MRI may serve as a non-invasive biomarker for identifying 1p/19q co-deletion status. [ABSTRACT FROM AUTHOR]

Purslane, a fleshy herbaceous plant, plays a pivotal role in various preventive and therapeutic purposes. To date, no report has documented the consequence of salt stress on metabolite accumulation in purslane. Herein, we proposed an insight into the metabolic and physiological traits of purslane under saline stress environments. The gas chromatography-mass spectrometry analysis was used to scrutinize the metabolic profiling of leaves and roots of two purslane genotypes, Tall Green (TG) and Shandong Wild (SD), under the control and saline exposures. Results revealed that the morphological and physiological traits of leaves and roots of both the tested Portulaca oleracea cultivars in response to salt stress (100 mM and 200 mM) were dramatically changed. Similarly, significant differences were found in the metabolite profiles among samples under salinity stress treatments as compared with the control. Thorough metabolic pathway analysis, 132 different metabolites in response to 28 days of particular salt stress treatments were recognized and quantified in roots and leaves of purslane, including 35 organic acids, 26 amino acids, 20 sugars, 14 sugar alcohols, 20 amines, 13 lipids and sterols, and 4 other acids. In conclusion, this study can be useful for future molecular experiments as a reference to select gene expression levels for the functional characterization of purslane. [ABSTRACT FROM AUTHOR]

Carpobrotus edulis (L.) is a plant commonly found in the Eastern Cape Province of South Africa and is used for the general treatment of infections relating to the human immunodeficiency virus (HIV). HIV-1 protease plays an important role during HIV replication and maturation to its infectious form, and therefore inhibition of the enzyme is one of the main focus areas in drug development. The inhibitory effect of a water extract of C. edulis leaves against HIV-1 protease activity was determined using the SensoLyte® 520 HIV-1 protease assay fluorimetric kit and employing a HiLyte Fluor™488/QXL™520 fluorescence resonance energy transfer (FRET) peptide. Cytotoxicity of the extract towards HeLa Chang cell lines was determined using an in vitro MTT assay, and the phytochemical profile of the extract was determined with FT-IR and LC-MS. HIV-1 protease activity was inhibited 83.06% (IC50 1.6 mg/ml) (p < 0.0001) by the pepstatin A inhibitor control. Treatment with all C. edulis extract concentrations (16, 1.6, 0.16, and 0.016 mg/ml) inhibited HIV-1 protease activity significantly (p < 0.0001) in a typical dose response manner. With regards to cytotoxicity, the negative controls containing untreated HeLa Chang cells exhibited high formazan formation rates in contrast with the positive controls, containing curcumin, which reduced formazan formation significantly (p < 0.001), exhibiting cytotoxicity towards the cells. There was no significant (p > 0.05) difference in the formazan formation rates between the negative controls and 1, 0.5, 0.125, 0.065, 0.031, and 0.015 mg/ml plant extract, confirming no toxicity of C. edulis extracts towards HeLa Chang cells. Major functional phytochemical compounds identified included alcohols, phenols, alkanes, amines, carboxylic acids, and esters. LC-ESI-TOF/MS analysis revealed the putative identities of main compounds present in the aqueous leaves extract, including some that contribute to its anti-HIV-1 protease action. [ABSTRACT FROM AUTHOR]

Functional mesoporous silica probes, MCM-TFM and SBA-TFM, have been synthesized with varying pore sizes and having S-donor sites judiciously selected to bind soft metal centers. The soft S-donor centers are contributed by the thiol functional groups that are introduced into the silica matrices by functionalization with tris(4-formylphenyl)amine followed by 2-aminothiophenol. The materials rapidly and selectively detect Hg2+ colorimetrically and the change in color profile can be perceived through bare eyes. The probes can decontaminate the pollutant heavy metal from aqueous medium at ppb level and the materials are recyclable and reusable for several separation cycles. [ABSTRACT FROM AUTHOR]

A trace quantification liquid chromatographic-potentiometric method for the determination of amines in cheese serum is described. An all solid-state contact polyvinyl chloride membrane amine-selective electrode was prepared and used as a detector in a low-dead volume flow through detection cell. Potentiometric performance characteristics of the proposed electrodes were then examined. A slope of 52.4±3.8 mV per decade toward amines was received at the concentration range of 1.0 × 10−2–8.0 × 10−6 M (r2 = 0.99) under dynamic conditions. Six amine compounds were separated, with a good resolution in the chromatographic system by using acetonitrile-methane sulfonic acid mobile phase gradient at the flow-rate of 1 mL min−1 in 30 min. The potentiometric detector was successfully applied to the analysis of amines in cheese serum samples. The relative standard deviations were ranged from 2.2% to 4.0% and recoveries were ranged from 88% to 101% for the determination. The average concentrations of ethylamine, butylamine and hexylamine in cheese serum samples calculated were 6.46, 4.51 and 8.37 μg L−1 respectively. [ABSTRACT FROM AUTHOR]

• A series of deep eutectic solvents (DESs) catalysts with varying ratios were successfully synthesized. • The DES with a composition of [TEA-12][OH]:[Q-COOH]- 0.9: 0.1 had the lowest melting point of 100.17 °C. • The efficiency of the catalysts for CO 2 fixation was evaluated and [TEA-12][OH]:[Q-COOH]−0.9:0.1 proved to be the most effective catalyst with a TOF of 1466 h−1. • Exceptional conversions were observed for epoxides with electron-withdrawing function groups, while electron-donating functional groups showed lower activity. The accumulation of greenhouse gases (GHG) in the atmosphere, with carbon dioxide being the most significant contributor, is a major environmental problem as it impacts significantly on climate change. The development of new catalysts and chemical reactions that incorporate CO 2 are needed to reduce its further emission significantly. Deep eutectic solvents (DES) have garnered increasing attention as environmentally friendly catalysts in the cycloaddition of carbon dioxide (CO 2) with epoxide substrates to produce cyclic carbonates. Their appeal stems from their facile synthesis, cost-effectiveness, low vapour pressure, and thermal stability. In this study, we present a convenient solvent-free synthesis method for nine deep eutectic solvents (DES), utilizing varying compositions of quaternary amine salts (N,N,N -triethyldodecan-1-aminium hydroxide, [TEA-12][OH]) and quinaldic acid [Q-COOH]. These deep eutectic solvents were thoroughly characterized using several techniques, including FTIR, NMR, DSC, and TGA. Moreover, their efficacy for the solvent-free fixation of CO 2 to cyclic carbonates were evaluated. Among the tested compositions, [TEA-12]:[Q-COOH] (0.9:0.1) exhibited the lowest melting point (100.17 °C) and highest catalytic activity, showcasing an optimized Turn-Over Frequency (TOF) of 1466 h−1. This remarkable result represents a significant advancement in the application of DES for CO 2 fixation, exceeding the previous highest catalytic activity observed with TBAB:Citric acid (2.5:1) by more than tenfold. [Display omitted] [ABSTRACT FROM AUTHOR]

Breast-feeding is the ideal nutrition for a newborn's integral necessities. It seems crucial therefore to know its composition in order to provide suitable infant formula when required. Of these, polyamines (with lactation and the microbiota being its intestinal source) are involved in the development of gut epithelium and immunity. Safety concerns limit human intervention studies. Therefore, we studied the amounts of polyamines supplied by breast milk (varying among mothers) or infant formula feeding, up to day 30 postpartum, in the faeces of newborns. Independent samples (68) of breast milk from fifty-nine healthy Caucasian woman (day 0, 1, 3, 5, 7, 15 and 30 postpartum) who had natural deliveries after week 38, same-day faeces of newborns when available (eighty-one from breast milk and fifty-five from infant formula fed) and six infant formulas were collected and the polyamine content was determined by HPLC. In breast milk, polyamines and isoamylamine (a primary amine), with inter-individual variations, increased over time (with a higher content of spermidine; no other amines were present). Overall, they were much higher than in infant formula. By the 2nd week after birth, polyamines, cadaverine and tyramine, but not isoamylamine, were higher in the faeces of those fed infant formula compared with those fed breast milk. Cadaverine and tyramine could be used to predict the feeding type used for newborns. The differences in the content may be related to distinct colonisation of amine-producing bacteria, which can be established by polyamines. Further studies are required to determine the clinical utility of these findings. [ABSTRACT FROM AUTHOR]

Background: Gastric Ulcer (GU) is the most prevalent gastrointestinal disorder induced by various factors and Non-Steroid Anti-Inflammatory Drugs (NSAIDs) as one of the most common reasons. Due to the absence of appropriate molecular markers for GU, the aim of this study was to utilize a metabolomics approach in order to find potential metabolite markers for the disease. Methods: Stomach tissue samples from indomethacin-treated rats and normal controls were used to perform a 1H-NMR metabolomics study. The altered metabolites were identified using random forest multivariate analysis. Results: ROC curves showed that the random forest model had a good predictive performance with AUC of 1 for the test and 0.708 for the training sets. Seventeen differentially expressed metabolites were found between GU and normal tissue sample. These metabolites included trimethylamine, betaine, carnitine, methionine, acetylcho line, choline, N,N-Dimethylglycine, cis-aconitate, tryptophan, spermidine, acetylcarnitine, creatinine, pantothenate, taurine, isoleucine, glucose and kynurenine. Conclusion: The results of the study demonstrated that metabolomics approach could serve as a viable method to find potential markers for GU. Surely, further studies are needed for the validation of the results. [ABSTRACT FROM AUTHOR]

This work highlights the discovered in-situ analytical reaction between primary/secondary alcohols and nitrogenous bases (pyridine, quinoline) that involves the substitution of hydroxyl groups for nitrogen-containing charged species and proceeds in an ionization region of Direct Analysis in Real Time mass spectrometry (DART-MS) instrument at gas stream temperature of 150–450 °C. Resulted cations provide strong signals in mass spectra and this ensures high sensitivity of the analysis. Collision induced dissociation of such precursor ions gives rise to characteristic and simple fragmentation mass spectra revealing mainly protonated nitrogenous bases and carbonium cations resulting from the elimination of neutral nitrogen-containing bases. The dependence of signal response on gas stream temperature was elucidated. It was also found that, independently of gas stream temperature, high volatility low-molecular weight alcohols did not demonstrate characteristic DART spectra owing to a high rate of desorption/evaporation which does not provide sufficient probability of the reaction. To the best of our knowledge, this type of specific reactions in a plasma-based source of DART mass spectrometer is reported for the first time. It represents a new and interesting derivatization approach providing a rapid and sensitive complement method for the detection and identification of individual monools of various origin, profiling plant sterols and other steroid alcohols in different matrices. fx1 • Described novel in-situ reaction between alcohols and nitrogenous bases in DART-MS. • Proposed a new method for the rapid and sensitive detection of monools. • The method applied for profiling of sterols in plant oils and sour creams. [ABSTRACT FROM AUTHOR]

Fish oils oxidise readily, forming primary and secondary oxidation products, which may be harmful for humans. Some recent studies reported that fish oil supplements in Australasia are oxidised above acceptable international limits, however other studies reported low levels of oxidation. This study employed peroxide and p-anisidine values determination to measure primary and secondary oxidation of fish oils in the Australian market. Of 26 supplements tested, 38% exceeded the limit for primary oxidation, 25% exceeded the limit for secondary oxidation and 33% exceeded the limit for total oxidation, according to international recommendations. Four specially marketed supplements were found to deliver significantly lower amounts of fish oil per capsule (165 vs. 577 mg, p = .007), yet cost significantly more on a per gram basis ($2.97 vs $0.39, p < .001). However, there were no differences in any oxidative markers between regular supplements and the specially marketed products. [ABSTRACT FROM AUTHOR]

Polyethylenimine (PEI), a type of water-soluble chain polymer containing a great number of primary, secondary and tertiary amine groups in the molecule, was used as an N-halamine precursor. It was grafted onto dialdehyde cellulose membrane (DCM) followed by chlorination to prepare a novel N-halamine antibacterial cellulose membrane (Cl–PEI–DCM). The appropriate conditions affecting the aldehyde content of DCM and the active chlorine (Cl+) content of Cl–PEI–DCM were systematically studied at oxidation, grafting and chlorination stages, respectively. The structure and properties of the samples were investigated by SEM, ATR–FTIR, XRD, XPS, light transmittance measurements and tensile tests. The stability and rechargeability of the Cl–PEI–DCM were evaluated, and its antibacterial activity was tested against S. aureus and E. coli. Results showed that the Cl+ content of the chlorinated samples was strongly dependent on the aldehyde content of DCM and PEI concentration. Under the optimum testing condition, the Cl+ content of the Cl–PEI–DCM reached 1.30 wt%. The hydroxyl groups on the cellulose membrane were changed to aldehyde groups and the successful introduction of PEI and N–Cl bond were confirmed. The 1.30 wt% Cl–PEI–DCM exhibited high antibacterial activity against both S. aureus and E. coli, which can completely inactivate two bacterial pathogens within 5 min even after 15 days of storage. Moreover, the Cl–PEI–DCM membrane displayed good stability, rechargeability, transparency and high mechanical strength. These results demonstrated that the Cl–PEI–DCM can be considered as a visualized wound dressing material or antibacterial shoe insole. [ABSTRACT FROM AUTHOR]

Dimensional analysis was used on this study with the aim of stablishing a model for prediction of the monoethanolamine heat exchangers output. The passive experimentation method was applied to gather 14 400 data points, since the exchangers are installed in an online amine treating unit. After identification of those parameters having a relevant effect on heat transfer processes, the Buckingham Pi theorem and the method of repeating variables were implemented. Once the dimensionless groups were formulated, the explicit equation was found by means of a least-squares regression analysis. The simulation model was evaluated by comparing predicted results against measured rich amine exit temperatures. In this respect, 98.96 % correlation, 0.023 % mean absolute percentage error and 1.376 K maximum absolute error were achieved. Findings of this research may serve as a shortcut for quick and accurate anticipation of the equipment performance, since the plant is often operated outside design parameters. Despite the above, obtained explicit equation is only valid for the studied set of heat exchangers. [ABSTRACT FROM AUTHOR]

In this work, a fast and simple magnetic dispersive solid phase extraction methodology was developed utilizing Ag@magnetite nanoparticles@graphene nanocomposite as an efficient magnetic nanosorbent for preconcentration and determine of five aromatic amines in water samples. The sorbent was characterized by diverse characterization techniques. After the extraction, high‐performance liquid chromatography with UV detection was utilized to analysis the aromatic amines. The effects of different factors on the extraction process were studied thoroughly via design of experiment and desirability function. Detection limits and linear dynamic ranges were obtained in the range of 0.10–0.20 and 0.3–300 μg/L, respectively. The relative standard deviations (n = 5) were in the range of 4.3–6.5%. Eventually, the method was employed for determination of target aromatic amines in various water samples. [ABSTRACT FROM AUTHOR]

Tris(2‐aminoethyl)amine based tripodal benzoylthiourea receptor (L) showed colorimetric response for fluoride and acetate in aprotic solvents within a range of competitive anions studied. The strong intramolecular –NH⋅⋅⋅O=C hydrogen bonding in the C3 symmetric receptor was not disrupted upon addition of any other anions except for fluoride and acetate as confirmed by 1H‐NMR experiments in DMSO‐d6. The cavity of the tripodal receptor is locked due to the inward orientation of the intramolecular hydrogen bonded donor‐acceptor groups as confirmed by single crystal X‐ray crystallography. Fluoride and acetate could selectively disrupt the intramolecular –NH⋅⋅⋅O=C hydrogen bonds to establish intermolecular hydrogen bonds with both the –NH protons from each receptor side arm and showed visual colour change from colourless to yellow. However, hydrogen bonding observed in the solution state does not provide sufficient stabilization to the receptor fluoride/acetate complexes to be crystallized in the solid state and the receptor crystallised as solvates both from DMSO and THF in the presence of excess fluoride/acetate. From UV‐vis and 1H‐NMR experiments, it was confirmed that the colorimetric sensing by the nonchromogenic benzoylthiourea receptor is due to strong hydrogen bonding between thiourea –NH groups and fluoride/acetate. [ABSTRACT FROM AUTHOR]

Abstract New rifamycin congeners (1 - 33) with incorporated amine and hydrazone substituents leading to lipophilic and/or basic nature and altered rigidity of modified C(3) arm were synthesized and structurally characterized in detail. NMR spectroscopic studies at different temperatures indicate two types of structures of rifamycin congeners that are realized in solution: zwitterionic and non-ionic forms in dependence of the basicity of modified C(3) arm. The presence of rifamycin congeners in these two possible forms has a significant impact on the physico-chemical parameters such as lipophilicity (clogP) and water solubility and different binding mode of the C(3) arm of antibiotic at RNAP binding pocket (molecular target) leading to different antibacterial potency. The highest antibacterial potency against S. aureus (including MRSA and MLSB strains) and S. epidermidis strains, even higher than reference rifampicin (Rif) and rifaximin (Rifx) antibiotics, was found for rifamycin congeners bearing at the C(3) arm relatively rigid and basic substituents (bipiperidine and guanidine groups). These modifications provide favorable docking mode and excellent water solubility resulting in high potency (MICs 0.0078 μg/mL what gives ∼ 8.5 nM), irrespective whether rifamycin congener is a tertiary amine (15) or hydrazone (29). In turn, for a higher antibacterial potency of rifamycin congeners against E. faecalis strain (MICs 0.5 μg/mL that is 0.6 μM) as compared to Rif and Rifx , the most crucial factors are: bulkiness and the lipophilic character of the end of the C(3) rebuilt arm. Graphical abstract SAR of newly obtained rifamycin congeners of the two types: hydrazone (29) and amine (secondary and tertiary e.g. 15) has been discussed in view of their zwitterionic and non-ionic structures formed in solution. The most antibacterially potent new rifamycin congeners (MICs ∼ 8.5 nM), irrespectively whether they are of hydrazone or amine type, were those having zwitterionic structure and rigid and protonated C(3) arms (15 , 29), contributing to improved docking mode to bacterial RNA polymerase and favorable water solubility. Image 1 Highlights • 33 new rifamycin congeners of hydrazone and amine types were synthesized. • Zwitterionic and non-ionic rifamycins are detected in solution. • Docking to RNAP, clogP, water solubility and antibacterial potency were studied. • Rigidity and protonation of C(3) arm are crucial for rifamycin activity. • Higher antibacterial potency of the congeners (∼8.5 nM) than for rifampicin is noted. [ABSTRACT FROM AUTHOR]

Abstract A series of CdSe QDs are synthesized using four kinds of ligands including dodecylamine, tetradecylamine, 1-hexadecanamine and octadecylamine by organic metal preparation method. The XRD patterns revealed that all the CdSe QDs with different amine ligands belong to cubic phase. The monodisperse CdSe QDs are obtained and their average size increases with the Carbon chain length of amine ligands. The absorption peaks of CdSe QDs capping with different amines shift from 526 to 557 nm. The results indicated that the luminescent properties and size of CdSe QDs can be modulated by amine ligand in the process of synthesis. [ABSTRACT FROM AUTHOR]

The dehydrative allylation from allyl alcohol with amines to generate various allyl amines by MoO3/TiO2 solid catalyst is described. The catalyst can be reused at least three times without a decrease of activity. [ABSTRACT FROM AUTHOR]

Objective: To evaluate the usefulness of longitudinal observation of liver stiffness measured using magnetic resonance elastography (MRE) to stratify the risk of hepatocellular carcinoma (HCC) in patients with chronic liver disease.Materials and Methods: We retrospectively reviewed data for 161 patients with chronic liver disease using the following inclusion criteria: two MRE examinations separated by at least a 12-month interval, no history of HCC, no development of HCC between the two examinations and availability of laboratory results. Liver stiffness was classified as low (< 3 kPa), moderate (3-4.7 kPa) or high (> 4.7 kPa). The patients were divided into three groups according to sequential changes in liver stiffness as follows: high on the first MRE (group A, n = 60), low on both MRE examinations (group C, n = 36) and other combinations (group B, n = 65). Cox analyses and Kaplan-Meier methods were used to determine the risk of developing HCC.Results: Forty-seven patients (29.2%) developed HCC during follow-up (46.7% [28/60] in group A, 26.2% [17/65] in group B, and 5.6% [2/36] in group C). There was a significant difference in the rate of development of HCC between groups A (45.1%), B (26.1%) and C (12.4%) at 3 years (p = 0.0002). The independent risk factors for development of HCC were group A classification, age and a high alanine aminotransferase level (risk ratio 1.018-6.030; p = 0.0028-0.0268).Conclusion: Longitudinal observation of liver stiffness using MRE can stratify the risk of HCC during follow-up of chronic liver disease.Key Points: • The results of MRE can stratify the risk for development of HCC during follow-up in patients with chronic liver disease. • Patients with chronic liver disease and high liver stiffness (> 4.7 kPa) on a previous MRE examination are at high risk for developing HCC, regardless of current liver stiffness. • Management of patients with chronic liver disease becomes more appropriate using longitudinally acquired two-point MRE data. [ABSTRACT FROM AUTHOR]

Abstract A new microporous organic polymer (PCB NH 2) has been synthesized based on amine functionalized carbazole derivative by oxidative coupling polymerization with anhydrous FeCl 3. Polymer PCB-NH 2 exhibits microporous nature with a BET surface area of 542.4 m2 g−1, and shows moderately high CO 2 and C 2 H 2 adsorption capacities, 51.6 cm3 g−1 (10.3 wt%), 58.4 cm3 g−1 (7.5 wt%) at 278 K, 1 atm, respectively. Remarkably, at 278 K, the predicted IAST selectivities of PCB-NH 2 are 16.7–5.8 for a CO 2 /CH 4 (5:95 v/v) gas mixture and 34.3–21.0 for a C 2 H 2 /CH 4 (50:50 v/v) gas mixture at pressures varying from 0 to 1 atm, respectively. More interesting, PCB-NH 2 displays higher CO 2 /CH 4 selectivity than its matrix polymer PCB. The isosteric heats of CO 2 adsorption (Q st) for PCB-NH 2 and PCB further indicate that the amine group may facilitate the interaction between the polarizable CO 2 molecules and the polymer by local dipole−quadrupole interactions, subsequently favors selective gas separation for these gas molecules. The high selectivity of CO 2 /CH 4 and C 2 H 2 /CH 4 makes PCB-NH 2 possible candidate for future natural gas upgrading and acetylene purification. Graphical abstract An amine functionalized microporous organic polymer exhibited high CO 2 uptake capacity as well as high selectivity towards CO 2 over CH 4 at ambient condition. Image 1 Highlights • An amine functionalized microporous organic polymer (PCB-NH 2) has been synthesized via oxidative coupling polymerization. • PCB-NH 2 displays moderately high CO 2 (10.3 wt%) and C 2 H 2 (7.5 wt%) adsorption capacities at ambient condition. • Amine functionalization of PCB resulted in higher CO 2 /CH 4 selectivity compared to unmodified PCB. • The isosteric heats of CO 2 adsorption (Qst) further indicated amine group embedded in polymer facilitates CO 2 adsorption. [ABSTRACT FROM AUTHOR]

Highlights • Magnetic hyperbranched polyamide amine (MHPA) material was prepared. • MHPA was first employed as clean-up agent in QuEChERS sample preparation. • The novel clean-up agent exhibited high performance for the removal of impurities. • MHPA could be a potential alternative with simplicity and rapidity for QuEChERS. Abstract Magnetic hyperbranched polyamide amine (MHPA) was successfully prepared and applied as a QuEChERS adsorbent to the gas chromatograph-mass spectrometer (GC–MS) detection of organophosphorus pesticides (OPPs) in orange juice. Abundant in amino types and the structure of hyperbranched organic chains make MHPA to possess the clean-up function integrating classic clean-up agent primary secondary amine (PSA) with C 18 modified silica, and the magnetic property makes the operation easier and more time-saving. Compared the performance with classical clean-up agents of PSA and C 18 , better results were obtained with MHPA as adsorbent for the detection of 11 OPPs. Recoveries ranged from 75.2 to 116.2% with the relative standard deviation (RSD) of 4.1–18.9% and the limit of detection (LOD) of 0.74–8.16 ng/g. Results showed that using MHPA as adsorbent for QuEChERS sample preparation is an effective alternative with simplicity and rapidity. [ABSTRACT FROM AUTHOR]

Abstract Pesticides contamination of water has caused considerable concern due to the potential hazard to human health. For the first time, mesoporous activated carbon from starch (ACS) was applied to remove pesticides from water. ACS could remove 11 pesticides rapidly (shake five times). The adsorption rates of ACS (>80%) for the 11 pesticides were higher than those of other adsorbents, including commercial activated carbon (AC), graphitised carbon black (GCB), C18, and primary secondary amine adsorbent (PSA). The mechanisms of the adsorption process for pyraclostrobin were also investigated. The pseudo-second-order model could better describe the adsorption for pyraclostrobin (R2 = 0.99950). Langmuir model gave the best fit for the isotherm data (R2 = 0.99899). Our findings demonstrate that oxygen-containing functional groups, N atom and π-bonding network of benzene promoted the adsorption. The adsorption efficiency of the ACS for 11 pesticides was still over 80% after five cycles. Graphical abstract Unlabelled Image Highlights • ACS was applied to remove pesticides from water for the first time. • ACS could remove 11 pesticides very rapidly (shake five times) from water. • The adsorption capacity of ACS was better than other four commercial adsorbents. • After five times of recycling, the adsorption efficiency is still over 80%. [ABSTRACT FROM AUTHOR]

Disruption of the monoaminergic system, e.g. by sleep deprivation (SD), seems to promote certain diseases. Assessment of monoamine levels over the circadian cycle, during different sleep stages and during SD is instrumental to understand the molecular dynamics during and after SD. To provide a complete overview of all available evidence, we performed a systematic review. A comprehensive search was performed for microdialysis and certain monoamines (dopamine, serotonin, noradrenaline, adrenaline), certain monoamine metabolites (3,4-dihydroxyphenylacetic acid (DOPAC), 5-hydroxyindoleacetic acid (5-HIAA)) and a precursor (5-hydroxytryptophan (5-HTP)) in PubMed and EMBASE. After screening of the search results by two independent reviewers, 94 publications were included. All results were tabulated and described qualitatively. Network-meta analyses (NMAs) were performed to compare noradrenaline and serotonin concentrations between sleep stages. We further present experimental monoamine data from the medial prefrontal cortical (mPFC). Monoamine levels varied with brain region and circadian cycle. During sleep, monoamine levels generally decreased compared to wake. These qualitative observations were supported by the NMAs: noradrenaline and serotonin levels decreased from wakefulness to slow wave sleep and decreased further during Rapid Eye Movement sleep. In contrast, monoamine levels generally increased during SD, and sometimes remained high even during subsequent recovery. Decreases during or after SD were only reported for serotonin. In our experiment, SD did not affect any of the mPFC monoamine levels. Concluding, monoamine levels vary over the light-dark cycle and between sleep stages. SD modifies the patterns, with effects sometimes lasting beyond the SD period. [ABSTRACT FROM AUTHOR]

The benefit of fish oil to health has been widely recognized because of the high contents of functional EPA (20:5n-3) and DHA (22:6n-3) in the oil; however, the application of fish oil has been limited by its high susceptibility to oxidation. This review reports the characteristics of EPA and DHA oxidation compared with those of other fatty acids such as linoleic acid (18:2n-6). In addition, effective approaches to protect against oxidation are discussed, focusing on the unique antioxidant potential of amine compounds. Finally, the exceptionally high oxidative stability of EPA and DHA in biological systems is discussed. Understanding the protective mechanism against EPA and DHA oxidation in such systems may be useful for the development of an effective antioxidant procedure for fish oil that is rich in EPA and DHA. [ABSTRACT FROM AUTHOR]

The incorporation of functionalized nano‐fillers into epoxy‐based composites shows a potential to improve material performances, which based on the modification mechanism is well understood. In this study, amine functionalized multiwall carbon nanotube (MWCNT‐NH2) as an example was prepared and selected as a type of functionalized nano‐fillers to modify two kinds of tri‐functionality epoxy resins, i.e. diglycidyl‐4, 5‐epoxycyclohexane‐1, 2‐dicarboxylate (DGEAC) and n, n‐diglycidyl‐4‐glycidy‐loxyaniline (TGPAP). The interfacial interaction of MWCNT‐NH2 with DGEAC or TGPAP was investigated by using molecular dynamics (MDs) simulations. Further investigation on how the interfacial interactions affected the dispersion of MWCNT‐NH2 in each epoxy resin was conducted and their effects on the mechanical properties of the resulting nanocomposites were characterized. The MD simulation results indicated that a higher interfacial strength between MWCNT‐NH2 and TGPAP molecule was formed, no matter with non‐covalent or covalent interaction, due to the presence of benzene ring and nitrogen atom in the backbone of TGPAP molecule. Moreover, the experimental results showed that the stronger binding strength of MWCNT‐NH2 with TGPAP can bring more positive effect on the dispersion of MWCNT‐NH2 in the TGPAP‐based resin matrix, and then resulting in the considerable improved tensile toughness compared with the neat sample and MWCNT‐NH2 reinforced DGEAC‐based ones. POLYM. COMPOS., 39:E2552–E2561, 2018. © 2018 Society of Plastics Engineers [ABSTRACT FROM AUTHOR]

Abstract Herein, a reusable and time-saving strategy for the electrochemical polymerization of dopamine (EPD) is reported. In this work, biocompatible polymer chitosan (CS) was electrodeposited on the surface of PDA modified glassy carbon electrode. Owing to the abundant catechol and amine groups in the PDA layer, uniform silver nanoparticles (Ag NPs) are deposited onto the POLY(DA-CS) and can effectively prevent the recombination of electron-hole pairs generated from photo-electrocatalysis and transfer the captured electrons to participate in the photo-electrocatalytic reaction process. Compared with pristine POLY(DA-CS), the as-prepared POLY(DA-CS)-AgNPs organic-inorganic hybrid exhibit electrochemical sensitivity for detecting MDA and display excellent durability. Furthermore, the mussel-inspired electropolymerization strategy and the fast EPD-Ag nanoparticle decorating process presented herein can be readily extended to various biomedical analysis and lung cancer detection. It is the adaptation of the established POLY(DA-CS)-Ag NPs organic-inorganic hybrid for a selective, robust, and generalizable sensing system that is the emphasis of this work. Graphical abstract Unlabelled Image [ABSTRACT FROM AUTHOR]

Abstract Aminopropyl modified mesoporous SiO 2 nanoparticles, MCM-41 type, have been synthesized by the co-condensation method from tetraethylorthosilicate (TEOS) and aminopropyltriethoxysilane (APTES). By means of modifying TEOS/APTES ratio we have carried out an in-depth characterization of the nanoparticles as a function of APTES content. Surface charge and nanoparticles morphology were strongly influenced by the amount of APTES and particles changed from hexagonal to bean-like morphology insofar APTES increased. Besides, the porous structure was also affected, showing a contraction of the lattice parameter and pore size, while increasing the wall thickness. These results bring about new insights about the nanoparticles formation during the co-condensation process. The model proposed herein considers that different interactions stablished between TEOS and APTES with the structure directing agent have consequences on pore size, wall thickness and particle morphology. Finally, APTES is an excellent linker to covalently attach active targeting agents such as folate groups. We have hypothesized that APTES could also play a role in the biological behavior of the nanoparticles. So, the internalization efficiency of the nanoparticles has been tested with cancerous LNCaP and non-cancerous preosteoblast-like MC3T3-E1 cells. The results indicate a cooperative effect between aminopropylsilane presence and folic acid, only for the cancerous LNCaP cell line. Highlights • Silica mesoporous nanoparticles have been selectively functionalized with amine and folate groups. • The particles morphology and surface charge are strongly dependent on the organosilane content. • A model explaining the influence of aminopropyl groups on the mesoporous structure is proposed. • A cooperative effect between folate and amine groups occurs only in tumoral cells overexpressing folate binding proteins. [ABSTRACT FROM AUTHOR]

Abstract Salt formation has been known to improve some physicochemical properties of active pharmaceutical ingredients particularly solubility. In this study, mefenamic acid (MA) formed salts with ethylenediamine (EDM), triethylamine (TA), 1-methylpiperazine (MP), and morpholine (MOP). In the salt structures studied, the proton of the carboxylic acid group of the MA molecule was transferred to a nitrogen atom of the amine. Both crystal structures of the ethylenediammonium and morpholinium salts were solved successfully by single-crystal X-ray diffraction in the space group P Ī. The triethylammonium and the 1-methylpiperazinium salts solved in Pbca and P 2 1 /c , respectively. The thermal behavior of the salts was investigated, and the desolvated powders were analyzed using powder X-ray diffraction. Grinding and slurry experiments were also investigated as alternate methods for preparation of the salts. The desolvation experiments yielded interesting results with the desolvation of (MA−)(MP+) resulting in MA form I, desolvation of (MA−)(TA+) gave mixtures of MA form I and MA form II, whereas desolvation of (MA−)(MOP+) gave MA form II. The solubility trend in water was determined as (MA−)(MP+) > (MA−)(TA+) > (MA−)(MOP+) > (MA−)(EDM+), with (MA−)(MP+) the most-soluble and (MA−)(EDM+) the least-soluble salt. [ABSTRACT FROM AUTHOR]