Background: Angiogenesis, which plays a critical role in embryonic development and tissue repair, is controlled by a set of angiogenic signaling pathways. As a TF (transcription factor) belonging to the basic helix-loop-helix family, HEY (hairy/enhancer of split related with YRPW motif)-1 (YRPW motif, abbreviation of 4 highly conserved amino acids in the motif) has been identified as a key player in developmental angiogenesis. However, the precise mechanisms underlying HEY1's actions in angiogenesis remain largely unknown.
View Article and Find Full Text PDFCrit Rev Anal Chem
November 2024
Zinc is a vital metal element with extensive applications in various fields such as industry, metallurgy, agriculture, food, and healthcare. For living organisms, zinc ions are indispensable, and their deficiency can lead to physiological and metabolic abnormalities that cause multiple diseases. Hence, there is a significant need for selective recognition and effective detection of free zinc ions.
View Article and Find Full Text PDFObjective: To compare the clinical efficacy between acupuncture with method by stages based on syndrome differentiation and oral administration of ibuprofen sustained-release capsule in patients with menstrual headache.
Methods: A total of 90 cases with menstrual headache were randomly divided into an acupuncture group (45 cases, 1 case excluded, 3 cases dropped off) and a medication group (45 cases, 3 cases dropped off). The patients in the acupuncture group were treated with acupuncture with method by stages based on syndrome differentiation; during period of pain attacks, Ganshu (BL 18), Qimen (LR 14), Hegu (LI 4), Taichong (LR 3), Sizhukong (TE 23) through Shuaigu (GB 8) were selected, once a day; during period of pain relief, Qichong (ST 30), Dahe (KI 12), Guanyuan (CV 4), Taixi (KI 3) were selected, once every 1-2 days.
Spectrochim Acta A Mol Biomol Spectrosc
February 2023
The sensing mechanism of the quinoline-derived Schiff base HL (concentrated from 8-hydroxyquinoline with 2,4-dihydroxybenzaldehyde) as a highly selective fluorescent probe for Zn was investigated by theoretical calculations with DFT and TDDFT. The conformations of the HL molecule, its ketone form and its Zinc complex structure, were optimized in the ground and excited states. The systems have been studied in depth in terms of structural parameters, frontier molecular orbitals, absorption and fluorescence spectra as well as potential energy curves analysis and approximately density gradient analysis.
View Article and Find Full Text PDFAn increasing amount of waste seashells in China has caused serious environmental pollution and resource waste. This paper aims to solve these problems by using waste seashells as modified materials to prepare high-performance modified asphalt. In this study, seashell powder (SP) and stratum corneum-exfoliated seashell powder (SCESP) were adopted to prepare 10%, 20% and 30% of seashell powder-modified asphalt (SPMA) and stratum corneum-exfoliated seashell powder-modified asphalt (SCESPMA) by the high-speed shear apparatus, respectively.
View Article and Find Full Text PDFIn the current work, we studied the sensing process of the sensor (E)-2-((quinolin-8ylimino) methyl) phenol (QP) for fluoride anion (F) with a "turn on" fluorescent response by density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations. The proton transfer process and the twisted intramolecular charge transfer (TICT) process of QP have been explored by using potential energy curves as functions of the distance of N-H and dihedral angle C-N=C-C both in the ground and the excited states. According to the calculated results, the fluorescence quenching mechanism of QP and the fluorescent response for F have been fully explored.
View Article and Find Full Text PDFPolyhedral oligomeric silsesquioxane (POSS) has a nanoscale silicon core and eight organic functional groups on the surface, with sizes from 0.7 to 1.5 nm.
View Article and Find Full Text PDFVirtual ligand screening of a publicly available database of antimalarial hits using a pharmacophore derived from antimalarial MMV008138 identified TCMDC-140230, a tetrahydro-β-carboline amide, as worthy of exploration. All four stereoisomers of this structure were synthesized, but none potently inhibited growth of the malaria parasite . Interestingly, , a minor byproduct of these syntheses, proved to be potent against and was orally efficacious (40 mg/kg) in an mouse model of malaria.
View Article and Find Full Text PDFThe tetrahydro-β-carboline scaffold has proven fertile ground for the discovery of antimalarial agents (e.g., MMV008138 () and cipargamin ()).
View Article and Find Full Text PDFSuperhydrophobic properties are derived from the roughness of the surface of micro/nanostructures and low-surface-energy materials. However, they are both easy to damage on superhydrophobic surfaces after mechanical abrasion in practical applications, resulting in the transition from the Cassie-Baxter state to the Wenzel state and even the loss of water repellency. In this work, the mechanical properties of polypropylene (PP) toughened with poly(ethylene--octene) (POE) were improved for the fabrication of long-lived T-shaped micropillars with submicron-villi on top by a combined method of compression molding and grinding.
View Article and Find Full Text PDFAim: To investigate the quality of life in patients with endometrial carcinoma and provide theoretical basis for nursing care.
Design: In this study, 69 patients diagnosed with endometrial carcinoma from 2016-2018 were included in the cohort.
Methods: Sixty-nine patients from our hospital who underwent endometrial cancer surgeries were selected.
Electrochemical oxidation of 5-hydroxymethylfurfural (HMF) is a promising synthetic route for 2,5-furandicarboxylic acid (FDCA) production. Here, we prepared a nickel(ii)-modified covalent-organic framework (COF) film TpBpy-Ni@FTO for HMF electrooxidation. With a high conversion of HMF (96%), TpBpy-Ni@FTO afforded a 58% FDCA yield.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
February 2021
The interaction of 1-Phenyl-3-(pyren-1-yl) urea (LH) and fluoride anion (F) with a unique ON-OFF-ON fluorescent response has been investigated by the density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations. The hydrogen-bonding dynamics and photophysical properties of the complex LH-F, as well as its isolated receptor LH and anion form L-H, have been studied in detail. We demonstrate that the intermolecular hydrogen bond (N-H…F) of the complex LH-F is greatly enhanced in the electronically excited state.
View Article and Find Full Text PDFDue to the low hydration activity and poor volume stability, extensive steel slag utilization is restricted. In this paper, the hydration process and microstructure of alkali-activated materials with steel slag as a cementitious material and fine aggregate were studied. The phase composition and micro-morphology of hydration products were measured using XRD, NMR and SEM.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
January 2021
The effects of substituent on excited-state intramolecular proton transfer (ESIPT) and hydrogen bonding of N-(8-Quinolyl) salicylaldimine (QS) have been studied by theoretical calculation with DFT and TDDFT. The representative electron-withdrawing nitryl and electron-donating methoxyl were selected to analyze the effects on geometries, intramolecular hydrogen bond interaction, absorption/fluorescence spectra, and the ESIPT process. The configurations of the three molecules (QS, QS-OMe and QS-NO) were optimized in the ground and excited states.
View Article and Find Full Text PDFThe antimalarial candidate MMV008138 (1a) is of particular interest because its target enzyme (IspD) is absent in human. To achieve higher potency, and to probe for steric demand, a series of analogs of 1a were prepared that featured methyl-substitution of the B- and C-rings, as well as ring-chain transformations. X-ray crystallography, NMR spectroscopy and calculation were used to study the effects of these modifications on the conformation of the C-ring and orientation of the D-ring.
View Article and Find Full Text PDFDFT and TDDFT calculations are adopted to study the sensing mechanism of a turn-on-type cysteine fluorescent probe (2-(1-phenyl-imidazo[1,5-α]pyridine-3-yl)phenyl acrylate, denoted as MZC-AC). The photoinduced electron transfer (PET) process of MZC-AC and the excited state intramolecular proton transfer (ESIPT) process of MZC have been investigated in detail. We demonstrate that the fluorescence quenching of MZC-AC is ascribed to the PET mechanism and the large Stokes shift fluorescence emission of MZC is the result of the ESIPT mechanism.
View Article and Find Full Text PDFBioorg Med Chem Lett
September 2020
Antimalarial candidates possessing novel mechanisms of action are needed to control drug resistant Plasmodium falciparum. We were drawn to Malaria Box compound 1 (MMV665831) by virtue of its excellent in vitro potency, and twelve analogs were prepared to probe its structure-activity relationship. Modulation of the diethyl amino group was fruitful, producing compound 25, which was twice as potent as 1 against cultured parasites.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
August 2020
A density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations have been used to study the sensing mechanism of an ON-OFF-ON type fluoride anion fluorescent chemosensor (Bis[[7-(diethylamino)-2-oxo-2H-chromene]methyl-ene]‑carbonothioic dihydrazide (CTC). The current theoretical calculation presents a different sensing mechanism from the experimentally proposed one (Sensor and Actuators B 2016, 222, 823-828). Instead of the combination of CTC deprotonation and poorly emissive excited state tautomer or ICT mechanism, the theoretical results predict the sensing mechanism based on dissociation reaction and excited-state proton transfer (ESPT).
View Article and Find Full Text PDFInt J Environ Res Public Health
April 2019
New insecticides are needed for control of disease-vectoring mosquitoes and this research evaluates the activity of new carbamate acetylcholinesterase (AChE) inhibitors. Biochemical and toxicological characterization of carbamates based on the parent structure of terbam, 3--butylphenyl methylcarbamate, was performed. In vitro enzyme inhibition selectivity ( versus human) was assessed by the Ellman assay, as well as the lethality to whole insects by the World Health Organization (WHO) paper contact assay.
View Article and Find Full Text PDFBackground And Purpose: Cardiovascular disease associated with antiretroviral therapy (ART) has become a major clinical challenge for HIV-positive patients. However, the role of ART in blood vessel growth is largely unknown. Here, we examined an integral component of ART, nucleoside/nucleotide reverse transcriptase inhibitors (NRTIs) and investigated their effects on key microvascular functions, including angiogenesis and lymphangiogenesis.
View Article and Find Full Text PDFRationale: The highly conserved NOTCH (neurogenic locus notch homolog protein) signaling pathway functions as a key cell-cell interaction mechanism controlling cell fate and tissue patterning, whereas its dysregulation is implicated in a variety of developmental disorders and cancers. The pivotal role of endothelial NOTCH in regulation of angiogenesis is widely appreciated; however, little is known about what controls its signal transduction. Our previous study indicated the potential role of post-translational SUMO (small ubiquitin-like modifier) modification (SUMOylation) in vascular disorders.
View Article and Find Full Text PDFWe demonstrated here a facile and efficient synthesis of polyhedral oligomeric silsesquioxane-based amphiphilic polymer by thiol-ene click chemistry. The properties of polyhedral oligomeric silsesquioxane (POSS)⁻PEG amphiphilic polymers were studied in detail by a combination of ¹H NMR, C NMR, Si NMR FT-IR, GPC, and TG analysis. The newly-designed thiol-ene protocol obtains only anti-Markovnikov addition POSS-based amphiphilic polymers when compared with platinum-catalysed hydrosilylation method.
View Article and Find Full Text PDFComput Med Imaging Graph
November 2016
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