Naturally occurring homoisoflavonoids isolated from some Liliaceae plants have been reported to have diverse biological activities (e.g., antioxidant, anti-inflammatory, and anti-angiogenic effects).
View Article and Find Full Text PDFPercutaneous drug delivery using microneedles (MNs) has been extensively exploited to increase the transdermal permeability of therapeutic drugs. However, it is difficult to control the precise dosage with existing MNs and they need to be attached for a long time, so a more simple and scalable method is required for accurate transdermal drug delivery. In this study, we developed grooved MNs that can be embedded into the skin by mechanical fracture following simple shear actuation.
View Article and Find Full Text PDFDry age-related macular degeneration (AMD) is a type of disease that causes visual impairment due to changes in the macula located in the center of the retina. The accumulation of drusen under the retina is also a characteristic of dry AMD. In this study, we identified a compound (JS-017) that can potentially degrade N-retinylidene-N-retinylethanolamine (A2E), one of the components of lipofuscin, using fluorescence-based screening, which measures A2E degradation in human retinal pigment epithelial cells.
View Article and Find Full Text PDFDracaeconolide B (), a naturally occurring homoisoflavane, was isolated from the red resin of . Efforts have been made to elucidate the exact structure of compound since it was confirmed that dracaeconolide B did not contain a 7-hydroxy-5,8-dimethoxy moiety. The structure of dracaeconolide B was revised by synthesis of three homoisoflavanes containing a 5,6,7-trioxygenated moiety each and analysis by NMR spectroscopy.
View Article and Find Full Text PDFThe use of machine learning techniques in computational chemistry has gained significant momentum since large molecular databases are now readily available. Predictions of molecular properties using machine learning have advantages over the traditional quantum mechanics calculations because they can be cheaper computationally without losing the accuracy. We present a new extrapolatable and explainable molecular representation based on bonds, angles and dihedrals that can be used to train machine learning models.
View Article and Find Full Text PDFObjective: To introduce our novel technique for myometrial defect closure after adenomyomectomy.
Materials And Methods: A retrospective cohort study. A total of 40 patients with adenomyosis who visited our clinic between October 2012 and January 2018 were recruited.
Activity of the heme synthesis enzyme ferrochelatase (FECH) is implicated in multiple diseases. In particular, it is a mediator of neovascularization in the eye and thus an appealing therapeutic target for preventing blindness. However, no drug-like direct FECH inhibitors are known.
View Article and Find Full Text PDFOvarian cancer (OC) is the most lethal gynecologic malignancy and in-time diagnosis is limited because of the absence of effective biomarkers. Germline genetic alterations are risk factors for hereditary OC; risk-reducing salpingo-oophorectomy (RRSO) is pursued for disease prevention. However, not all healthy carriers develop the disease.
View Article and Find Full Text PDFOrg Biomol Chem
May 2021
In recent years, a growing number of organic reactions in the literature have shown selectivity controlled by reaction dynamics rather than by transition state theory. Such reactions are difficult to analyse because the transition state theory approach often does not capture the subtlety of the energy landscapes the compounds traverse and, therefore, cannot accurately predict the selectivity. We present an algorithm that can predict the major product and selectivity for a wide range of potential energy surfaces where the product distribution is influenced by reaction dynamics.
View Article and Find Full Text PDFBackground: Exosomal miRNAs regulate gene expression and play important roles in several diseases. We used exosomal miRNA profiling to investigate diagnostic biomarkers of epithelial ovarian cancer (EOC).
Methods: In total, 55 individuals were enrolled, comprising healthy (n = 21) and EOC subjects (n = 34).
Objective: Familial cancer appears at a young age and its incidence is increasing. About 12% of familial ovarian cancer cases are associated with mutations (BRCAm). In this study, we investigated methylation may predict ovarian cancer in those with a family history of cancer (FHC) but without mutations (BRCAwt).
View Article and Find Full Text PDFColposcopy is widely used to detect cervical cancers, but experienced physicians who are needed for an accurate diagnosis are lacking in developing countries. Artificial intelligence (AI) has been recently used in computer-aided diagnosis showing remarkable promise. In this study, we developed and validated deep learning models to automatically classify cervical neoplasms on colposcopic photographs.
View Article and Find Full Text PDFHypertension and endothelial dysfunction are associated with various cardiovascular diseases. Hydrogen sulphide (H S) produced by cystathionine γ-lyase (CSE) promotes vascular relaxation and lowers hypertension. Honokiol (HNK), a natural compound in the Magnolia plant, has been shown to retain multifunctional properties such as anti-oxidative and anti-inflammatory activities.
View Article and Find Full Text PDFHomoisoflavonoids are in the subclass of the larger family of flavonoids but have one more alkyl carbon than flavonoids. Among them, 5,7,8-trioxygenated homoisoflavonoids have not been extensively studied for synthesis and biological evaluation. Our current objective is to synthesize 2 5,7,8-trioxygenated chroman-4-ones and 12 5,7,8-trioxygenated homoisoflavonoids that have been isolated from the plants , , , , , , , , and .
View Article and Find Full Text PDFA large number of organic reactions feature post-transition-state bifurcations. Selectivities in such reactions are difficult to analyze because they cannot be determined by comparing the energies of competing transition states. Molecular dynamics approaches can provide answers but are computationally very expensive.
View Article and Find Full Text PDFCoordination of Cu(i) or Pd(ii) to seleno-cyclodiphosph(v)azanes of the type [RNH(Se)P(μ-NtBu)]2 results in positively charged anion receptor units which have increased anion affinity over the neutral seleno-phosph(v)azanes, due to the increase in electrostatic interactions between the receptor and the guest anions. The same effect is produced by replacement of one of the P[double bond, length as m-dash]Se units by a P-Me+ unit.
View Article and Find Full Text PDFNeovascular eye diseases are a major cause of blindness. Excessive angiogenesis is a feature of several conditions, including wet age-related macular degeneration, proliferative diabetic retinopathy, and retinopathy of prematurity. Development of novel antiangiogenic small molecules for the treatment of neovascular eye disease is essential to provide new therapeutic leads for these diseases.
View Article and Find Full Text PDFHonokiol, a biphenolic neolignan isolated from Magnolia officinalis, was reported to have a promising anti-inflammatory activity for the treatment of various diseases. There are many efforts on the synthesis and structure-activity relationship of honokiol derivatives. However, regioselective O-alkylation of honokiol remains a challenge and serves as a tool to provide not only some derivatives but also chemical probes for target identification and mode of action.
View Article and Find Full Text PDFModern supramolecular chemistry is overwhelmingly based on non-covalent interactions involving organic architectures. However, the question of what happens when you depart from this area to the supramolecular chemistry of structures based on non-carbon frameworks remains largely unanswered, and is an area that potentially provides new directions in molecular activation, host-guest chemistry, and biomimetic chemistry. In this work, we explore the unusual host-guest chemistry of the pentameric macrocycle [{P(μ-N Bu} NH] with a range of anionic and neutral guests.
View Article and Find Full Text PDFDeformation twinning provides a mechanism for energy dissipation in crystalline structures, with important implications on the mechanical response of carbonate biogenic materials. Carbonate crystals can incorporate magnesium, e.g.
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