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Modulating serine palmitoyltransferase-deoxysphingolipid axis throughout most cancers therapy.
Advanced chemometric methods, such as fuzzy c-means, a semi-supervised clustering method, and fuzzy linear discriminant analysis (FLDA), a new robust supervised classification method in combination with principal component analysis (PCA), namely PCA-FLDA, have been successfully applied for characterization and classification of bacterial species detected at single-cell level by surface-enhanced Raman scattering (SERS) spectroscopy. SERS spectra of three species (S. aureus, E. faecalis and P. aeruginosa) were recorded in an original fashion, using in situ laser induced silver spot as metallic substrate. The detection process of bacteria was isolated inside a hermetically sealed in-house built microfluidic device, connected to a syringe pump for injecting the analytes and a portable Raman spectrometer as detection tool. The obtained results (fuzzy partitions) and spectra of the prototypes (robust fuzzy spectra mean corresponding to each fuzzy partition) clearly demonstrated the efficiency and information power of the advanced fuzzy methods in bacteria characterization and classification based on SERS spectra, and allowed a rationale assigning to a specific group. Also, this powerful detection and classification methodology generates the premises for future investigations of Raman and other spectroscopic data obtained for various samples.Melatonin (MLT), as a neurotransmitter and an endogenous neurohormone, plays an important role in physiological functions through interactions with specific receptors. Sacituzumab govitecan mouse of MLT are closely related to its biological activities and functions. However, the internal relationship between the structure and interaction of MLT and its allosteric transition remains unclear. In this work, we obtain the broadband fingerprint terahertz (THz) spectrum of MLT in the range of 0.5-18 THz using the air-plasma terahertz time-domain spectroscopy (THz-TDS) system. DFT calculations are employed to analyze the vibration characteristics of MLT. The result shows that the low-frequency vibrations mainly come from the strong coupling between inter- and intramolecular vibrations, and the contribution of intramolecular vibrations gradually dominates with increasing frequency. #link# Meanwhile, the local vibrations of the different functional groups distribute widely in the THz low-frequency band, relating to the diversity of conformational changes in the molecule. The intermolecular hydrogen bonds (HBs) have distinct resonant responses and play critical roles in the THz low-frequency vibrations. The study reveals the complex characteristics of the resonant coupling of MLT with THz electromagnetic waves. The results will help to understand the conformational preferences of MLT in neural signal transmission processes.Carbon monoxide (CO) is a significant mediator in regulating endoplasmic reticulum (ER) stress, and its level may play a potential role in the treatment of vascular diseases combined with ER stress. In-situ visualization of CO in the ER helps to elucidate its physiological and pathological mechanistic behavior. Herein, a novel CO fluorescent probe (Na-CM-ER) with ER-targeting characteristics was structured. Na-CM-ER with naphthalimide as a fluorescent group, under the trigger of CO, an ICT (Intramolecular Charge Transfer) mechanism was constructed by converting a nitro group to an amino group and showed dazzling green fluorescence. Na-CM-ER exhibited satisfactory response speed, selectivity, photo-stability and sensitivity to CO in vitro. Furthermore, biological imaging experiments demonstrated that Na-CM-ER could monitor the changes of exogenous/endogenous CO in living cells and possess an ER-targeting property. To sum up, we hope that Na-CM-ER can be as a serviceable molecular tool for imaging CO in cellular ER.γ-valerolactone and γ-caprolactone are commonly used as flavor additives in the food industry. In the present work we fully explore the molecular structure and conformational distribution of enantiopure γ-valerolactone and γ-caprolactone in solution state by using Vibrational Circular Dichroism (VCD) spectroscopy assisted by quantum chemical calculations. In order to establish the most accurate DFT method for this type of samples a set of methods and basis sets have been implemented and their performances have been compared. Subsequently, we have performed a complete vibrational assignment, which allowed to detect certain key vibrational features related to specific solution-state conformational speciation. In spite of the rigidity of the samples being studied, our results point to the incidence of conformational mixture in CCl4 solution in both samples.Treatment protocols combining tamsulosin and solifenacin proved better management of the complicated urinary tract symptoms. The pharmaceutical preparations of tamsulosin and solifenacin suffered from the high difference in their ratio, 0.4 mg tamsulosin and 6 mg solifenacin, and strong spectral overlap. Here, we developed four simple, accurate and selective spectrophotometric methods based on simple mathematical manipulations. These methods require the simplest mathematical filtration using short steps performed using built-in functions of the spectrophotometer operating software utilizing zero-order or derivative spectra. These methods are namely absorption correction method (ACM), induced dual-wavelength (IDW), absorptivity factor method (AFM) and first derivative method (D1). The linear ranges were 15-70 µg/ml and 100-1200 µg/ml for TAM and SFN, respectively. The limits of quantitation were in the range of 3.8-4.05 µg/ml and 23.34-59.05 µg/ml, while the limits of detection were in the range of 1.25-1.34 µg/ml and 7.7-24.6 µg/ml for TAM and SFN, respectively. All validation parameters investigated as per ICH guidelines. A statistical comparison executed for the proposed methods with each other and with the reported methods showed no significant difference between the proposed and the reported methods.It is very important to exploit real-time, ultrasensitive and specific visualization detection methods for hypochlorous acid/hypochlorite (HOCl/ClO-) in biological systems as they are the guardians of the human immune system against pathogens invasion. In our work, we designed a novel reversible naphthalimide-based fluorescent probe NAP-OH to recognize HClO/ClO- with a unique selective colorimetric and fluorescent response, a short response time ( less then 8 s) and a high sensitivity (10.3 nM). In addition, NAP-OH exhibits a novel on-off-on fluorescence response to ClO-/ascorbic acid (AA) with good cycle stability. The fluorescence signal is quenched because HClO/ClO- oxidizes the subunit of NAP-OH to the segment 2,2,6,6-tetramethyl-1-oxo-piperidinium in NAP-O, which can be reduced by AA with the recovery of fluorescence. Finally, the confocal fluorescence imaging has been performed, which proves that NAP-OH can satisfactorily monitor intracellular endogenous and exogenous HClO/AA redox cycles.
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