Annona cherimola Mill. (cherimoya) has widely been used as food crop. The leaves of this tree possess several health benefits, which are, in general, attributed mainly to its bioactive composition. However, literature concerning a comprehensive characterization based on a combined approach, which consists of nuclear magnetic resonance (NMR) and high-performance liquid chromatography coupled with time-of-flight mass spectrometry (HPLC-TOF-MS), from these leaves is scarce. Thus, the aim of this work was to study the polar profile of full extracts of cherimoya leaves by using these tools. Thus, a total of 77 compounds have been characterized, 12 of which were identified by both techniques. Briefly, 23 compounds were classified as amino acids, organic acids, carbohydrates, cholines, phenolic acid derivatives, and flavonoids by NMR, while 66 metabolites were divided into sugars, amino acids, phenolic acids and derivatives, flavonoids, phenylpropanoids, and other polar compounds by HPLC-TOF-MS. It is worth mentioning that different solvent mixtures were tested and the total phenolic content in the extracts quantified (TPC via HPLC-TOF-MS). The tendency observed was EtOH/water 80/20 (v/v) (17.0 ± 0.2 mg TPC/g leaf dry weight (d.w.)) ≥ acetone/water 70/30 (v/v) (16.1 ± 0.7 mg TPC/g leaf d.w.) > EtOH/water 70/30 (v/v) (14.0 ± 0.3 mg TPC/g leaf d.w.) > acetone/water 80/20 (v/v) (13.5 ± 0.4 mg TPC/g leaf d.w.). Importantly, flavonoids derivatives were between 63 and 76% of the TPC in those extracts. Major compounds were sucrose, glucose (α and β), and proline, and chlorogenic acid and rutin for NMR and HPLC-TOF-MS, respectively. Graphical abstract The combined use of LC-HRMS and NMR is a potential synergic combination for a comprehensive metabolite composition of cherimoya leaves.

The synthesis and characterization of three novel heterobimetallic derivatives of general formula [RuClCp(PPh₃)-μ-dmoPTA-1κP:2κ²N,N'-MCl₂] (M = Co (1), Ni (2) and Zn (3), dmoPTA = 3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane) are described. The sizes of their diffusing units are in agreement with the solid-state structures of 2 and 3, supporting a similar solid-state structure for complex 1. The diamagnetic ruthenium-zinc derivative 3 was fully characterized in solution at 193 K by NMR. Electrochemical properties of the complexes were investigated by cyclic voltammetry, supporting the influence of the {MCl₂} moiety on the electronic properties of the Ru-unit. For the three complexes the GI₅₀ values were in the range 0.8-6.5 μM and comparable to those of the standard anticancer drug cis-platin in the same cell lines.

NMR spectroscopy coupled with multivariate data analysis techniques was applied to obtain meaningful information about nontargeted metabolic changes on Isochrysis galbana upon acclimation to different environmental conditions at indoor lab-scale. The effects of temperature (from 15 to 30 °C) and incident irradiance (from 250 to 1600 μmol m–2 s–1) at a constant dilution rate of 0.3 h–1 were evaluated. High irradiances stimulated a decrease of chlorophyll a, fucoxanthin and amino acids content, and the conversion of polar fatty acids (PLs, GLs, DGDGs, SGDGs) to neutral fatty acids (saturated and unsaturated). High temperatures together with high irradiances decreased PUFAs concentration, including omega-3 fatty acids. Under low irradiance and temperature organic osmolytes (homarine, DMSP, GBT, and glycerol), and sugars (glucose, trehalose, and galactose) were also reduced.

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Graphical AbstractIsomerization in presence of water under Ar and air of 1-octen-3-ol, 1-hepten-3-ol and 1-hexen-3-ol canalized by Ru (1) and Ru-M (M = Ni (2), Co (3), Zn (4)) complexes containing the ligand dmoPTA was investigated. *Graphical Abstract Highlights-Homogeneous catalytic isomerization of allylic-alcohols in presence of water.-Ru complexes containing the open adamantane phosphine dmoPTA.-Bi-heterometallic-Ru-M complexes (M = Co, Ni, Zn) containing dmoPTA.-Water and pH influence on the catalytic isomerization of allylic-alcohols. *Highlights (for review)Evaluation of catalytic activity of [RuClCp(dmoPTA) for the isomerization of 1-octen-3-ol.

This study describes the approach of H NMR metabolomic profiling for the differentiation of zucchini produced under different conditions of water irrigation (desalinated seawater -0.397 dS/m, 0.52 €/m vs groundwater -2.36 dS/m, 0.29 €/m) and ventilation (surface area of the vent openings/greenhouse area was 15.0% for one sector and 9.8% for the other). Overall, 72 extracts of zucchini ( Cucubirta pepo L. cv Victoria) under four different conditions were regularly analyzed during the spring-summer cycle from April to July 2017. We have found that zucchini plants irrigated with desalinated seawater increased the zucchini production yield, presented fruits with higher concentration of glucose, fructose, and vitamin B3, and displayed an increased antioxidant activity. On the contrary, plant groundwater irrigation produced the increment of sucrose level that could rise the sweetness perception of the fruits. Finally, the ventilation variable produced a higher concentration of trigonelline, histidine, and phenylalanine but only on those zucchinis irrigated with groundwater.

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Controlling the temperature inside a greenhouse during the summer is a problem of increasing importance in the Mediterranean countries, especially in the Spanish southeast. The metabolic profile of greenhouse tomatoes and leaves grown under conventional conditions and within the presence of a shade mesh (∼50% reduction of sunlight radiation) has been monitored. Tomatoes were weekly harvested from May to July 2017 and analyzed by NMR spectroscopy coupled to multivariate data analysis techniques, together with oxygen radical absorbance capacity (ORAC) assays (for antioxidant activity). Fatty acids and carotenoids profiles were unraveled by GC-FID and HPLC-DAD, respectively. To verify whether it would be possible to take advantage of different light growing conditions to potentiate a plant’s defense system, leaves of the corresponding plants were collected and their methanolic extracts were analyzed by NMR toward deciphering new biomarkers, which were used to assess their antibacterial and antibiofilm activities. The presence of a shading mesh resulted in a reduction in tomato production and in smaller fruits with lower contents of sugars (glucose and fructose) and carotenoids (lycopene and β-carotene) and higher contents of organic acids, amino acids, and polyunsaturated fatty acids (linoleic and oleic acids) and of phenylpropanoids and flavonoids (which contributed to an increased antioxidant activity). Methanolic extracts of leaves of nonshaded plants showed a higher antibiofilm activity than that from shaded plants. This activity was well-correlated with an increase of phenolic compounds, together with some specific amino acids and organic acids from tomato leaves.