The (-)-trans-Δ9-tetrahydrocannabiphorol (Δ9-THCP, 1) content of the inflorescence from six Cannabis sativa chemotypes, including 14 plants of distinct genotypes, and two extracts was determined quantitatively via high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS). This represents the first comprehensive quantitative screening for 1 from various C. sativa chemotypes. Compound 1 was detected in all 13 inflorescence samples originating from "(-)-trans-Δ9-tetrahydrocannabinol (Δ9-THC, 2) dominant" C. sativa chemotypes, but was not detected in a "cannabidiol (CBD, 3) dominant" chemotype. The inflorescence content of 1 ranged approximately from 0.0023% to 0.0136% (w/w). Comprehensive inflorescence sampling was performed for each specimen investigated.  https://www.selleckchem.com/products/aticaprant.html  A trend between inflorescence cannabinoid potency and the location of which the inflorescence was sampled on the C. sativa plant was observed for the three cannabinoids tested (1-3). The preliminary results obtained indicate Δ9-THCP (1) may have a higher degree of prevalence in C. sativa inflorescence than previously estimated.Metal nanoparticles (NPs) may serve as biomarkers, as the surfaces can be chemically modified to enable an analysis of several biosystems, including plant pathogenesis. We supplied metal oxide NPs including those of ZnO, TiO2, Y2O3, and Y2O3 doped with europium to plants of eight species of the Poaceae and Cucurbitaceae families. The plants were grown using hydroponics, where NPs were incorporated into the cultivation media. Energy-dispersive X-ray spectroscopy was used to detect the uptake of NPs by the plant in regions of the root, stem, and leaf. Results show that ZnO NPs were taken up more readily by the plants compared to other NPs. Unmodified NPs were only delivered up till the stems and not the leaves; however, when the surfaces were modified using photoinduced hydrophilization supplemented with poly(ethylene glycol), NPs were delivered to the leaves of plants. It is suggested that plants readily take up metals such as zinc that function as nutrients. Additionally, hydrophilization of NP surfaces using UV irradiation enhances uptake, where modified ZnO and TiO2 NPs may be delivered to the leaves. These findings may be used to design biomarker systems for detecting tissue damage and infections in various crops.Selected vibronic bands of the B̃ ← X̃ laser-induced fluorescence (LIF) spectra of jet-cooled 2-pentoxy and 2-hexoxy, including the origin and CO-stretch bands, have been measured with rotational resolution and analyzed using (1) an effective Hamiltonian that comprises a rotational part and a spin-rotation (SR) part (the "isolated-states model") and (2) a recently developed Hamiltonian in which the nearly degenerate à and X̃ states are treated together (the "coupled-states model") (see Liu, J., J. Chem. Phys.2018, 148, 124112). The observed rotational and fine structures of the strongest vibronic bands have first been simulated using a genetic algorithm with the isolated-states model. The parameters for the simulation include rotational constants for both the X̃ and B̃ states, which can be calculated from the electronic structure theory, as well as the electronic SR constants of the X̃ state and the transition dipole moments (TDMs), both of which are predicted based on their transferability in an "orbital-fixed coordinate system" using iso-propoxy as the reference molecule. Quantum chemistry calculations suggest that the lowest two electronic (X̃ and Ã) states of secondary alkoxy radicals have small energy separations on the order of 100 cm-1 (see Part I of this series J. Phys. Chem. A 2021, DOI 10.1021/acs.jpca.0c10662). The electron configurations of these two nearly degenerate states have been determined by comparing the experimentally determined rotational constants and the TDMs to the ones predicted for the X̃ and à states. The experimental LIF spectra were also simulated with the coupled-states model, in which the effective spin-orbit (SO) constants (aζed) and the SO-free separation between the à and the X̃ states (ΔE0) have been determined. Molecular constants derived from fitting the rotational and fine structures of the experimental LIF spectra enabled unambiguous assignment of the observed vibronic bands to specific conformers of 2-pentoxy and 2-hexoxy as reported in Part I.Multiple sclerosis (MS) is the most common chronic inflammatory demyelinating disease of the central nervous system. While the drugs currently available for MS provide symptomatic benefit, there is no curative treatment. The emergence of large-scale multiomics data and network theory provide new opportunities for drug discovery in MS, as these are promising strategies for developing novel drugs. In this study, we proposed a computational framework that combined biomolecular network modeling and structural dynamics analysis to facilitate the discovery of new drugs with potential activity in MS. First, we developed a new shortest path-based algorithm that prioritized differentially expressed genes using a newly topological and functional exploration of protein-protein interaction network. Then, pathway enrichment analysis and an assessment of target druggability suggested that TNF-α-induced protein 3 (TNFAIP3), which is involved in NF-κ B signaling, could be a potential therapeutic target for MS. Finally, druggability simulations and mutation enrichment analysis of the TNFAIP3 dimer presented two druggable sites. Follow-up pharmacophore model-based virtual screening of the two sites yielded 30 hit compounds with low energy scores. In summary, this novel method based on analyzing "omics data" and performing druggability simulations, is a systematic approach that unravels disease mechanisms and links them to the chemical space to develop treatments and can be applied to other complex diseases.The absence of d-orbital electrons or presence of full-filled d-orbital electrons in metal ions is a well-known Achilles' heel problem for the detection of these metal ions by a simple UV-visible study. For this reason, detection of metal ions such as Al3+ with no d-orbital electrons or Zn2+ with filled d-orbital electrons is a challenging task. Herein, we report a 2-naphthol-based fluorescent probe [1-((E)-((E)-(5-bromo-2-hydroxybenzylidene)hydrazono)methyl)naphthalen-2-ol] (H2L) that has been used to sense and discriminate Al3+ and Zn2+ via solvent regulation. The probe exhibits excellent selectivity and swift sensitivity toward Al3+ in MeOH-water (91, v/v) and toward Zn2+ in dimethyl sulfoxide (DMSO)-water (91, v/v) among various metal ions. The respective detection limit is found to be 9.78 and 3.65 μM. The sensing mechanism is attributed to multiple processes, viz., the inhibition of photo-induced electron transfer (PET) along with the introduction of chelation-enhanced emission (CHEF) and excited-state intramolecular proton transfer (ESIPT) inhibition, which are experimentally well verified by UV-vis absorption spectroscopy, emission spectroscopy, and NMR spectroscopy.