Search Results (176)

Four new compounds (1–4), including two new quinazoline-containing indole alkaloids, tryptoquivaline Z₁ (1) and clavutoine V (2); a new cytochalasan alkaloid, cytochalasin Z₂₉ (3); and methyl (S)-2-(2,5-dihydroxyphenyl)-2-methoxyacetate (4), along with one known compound (5), were isolated from culture extracts of the hydrothermal vent crab-derived fungus Aspergillus clavatus C2WU. The structures of the new compounds, including their absolute configurations, were determined by NMR and MS spectroscopic data analyses and comparison between the calculated and experimental ECD spectra. In vitro, compound 2 (clavutoine V) preserves mitochondrial function by reducing the level of mitochondrial membrane potential (MMP) and increasing mitochondrial ATP production. Furthermore, compound 2 might regulate lipid metabolism by reducing ROS. Complementary molecular dynamics simulations support a cardiolipin-associated membrane-modulation mechanism, suggesting that compound 2 may melt rigid lipid domains to restore membrane electrostatic homeostasis. Compounds 1 (tryptoquivaline Z₁), 2 (clavutoine V), and 5 (arthriniumnin A) effectively attenuated UVB-induced mitochondrial dysfunction and ROS overproduction in skin cells, demonstrating their anti-photoaging potential. Additionally, compound 4 (methyl (S)-2-(2,5-dihydroxyphenyl)-2-methoxyacetate) displayed strong ability to scavenge free radicals with an IC₅₀ value of 34.3 μM. It not only reduced UVB-induced ROS production in HaCaT cells but also attenuated glucose-induced AGE formation in HDF cells, further confirming its antioxidant capacity. These findings highlight the potential of hydrothermal vent-derived fungi as a source of bioactive leads for dermatological applications, anti-aging interventions, and mitochondrial medicine. Full article

To fully explore the metabolites of the mangrove endophytic fungus Penicillium janthinellum HDN13-309, which can produce Epipolythiodioxopiperazine (ETP) compounds with noteworthy anti-tumor activities, HPLC-MS analysis was applied, and five new gliovirin-like alkaloids, penicisulfuranols G–K (1–5), were target-directed acquired. Furthermore, penicisulfuranols G (1) and H (2) were distinguished by a double bond between C-5/C-6 and ortho-hydroxylation of C-7/C-8 on the 1,2-oxazadecaline moiety. Their structures, including absolute configurations, were elucidated based on NMR spectroscopy, ECD measurements, and high-resolution mass spectrometry, as well as by comparison with the literature. Penicisulfuranols I–K (3–5) showed promising cytotoxicity against four tumor cell lines (HCT116, HeLa, HL-60, and K562) with IC₅₀ values ranging from 0.1 to 9.9 μM. Full article

Reliable wellbore cleaning remains difficult in deviated, horizontal, extended-reach, deep, and ultra-deep wells because the downhole distribution and mechanical state of cuttings beds cannot usually be observed directly. This review examines cuttings-bed dynamics, multiscale modeling, compressible multiphase constraints, and field-validation pathways for drill cuttings transport and wellbore cleaning. Bibliometric mapping of 625 Web of Science records was combined with critical assessment of 204 technically screened studies and 56 engineering-oriented OnePetro records. Bed height, cuttings concentration, pressure response, equivalent circulating density/bottomhole-pressure (ECD/BHP) margin, solids residence time, and packoff tendency are identified as bridge variables linking particle-scale behavior with operational risk. Recent studies strengthen wet-bed erosion and friction characterization, non-spherical and geometry-resolved CFD–DEM, hybrid prediction, compressible pressure–solids coupling, and field observability. Study-level comparison shows that ML approaches differ markedly in data provenance, validation design, physical integration, uncertainty reporting, and transfer evidence. An uncertainty-aware, field-calibratable workflow is proposed that links synchronized measurements, complementary models, latent-state estimates with prediction intervals, section-specific probabilistic thresholds, operational response, and post-action verification. Quantitative benchmark criteria are defined for particle realism, wet-bed mechanics, tool-induced flow, compressible transport, transient field models, and advisory outputs. Full article

Three new, previously undescribed tanzawaic acids, steckwaic acids H–J (1–3), and twenty-three known natural products (4–26) were isolated from the marine algicolous fungus Penicillium steckii SCSIO 41040. Structurally, compound 3 underwent a rare hydration reaction at the double bond of its carboxylic acid side chain. The chemical structures and stereochemistry were determined using comprehensive spectroscopic analyses, including NMR, electronic circular dichroism (ECD) calculations, and high-resolution electrospray ionization mass spectrometry (HRESIMS), and verified by literature comparison. The protective effect of tanzawaic acids on inflammatory damage to the intestinal epithelial barrier was assessed using an LPS-stimulated Caco-2/THP-1 co-culture model. Notably, immunofluorescence and Western blotting assays showed that compound 10 significantly enhanced the fluorescence signals and protein expression of ZO-1 and occludin, alleviated lipopolysaccharide (LPS)-induced intestinal barrier damage in Caco-2 cells, and contributed to the re-establishment of intestinal barrier homeostasis. Our findings demonstrate the critical role of tanzawaic acids in maintaining intestinal barrier integrity, identifying them as promising lead compounds for UC treatment. Full article

Background/Objectives: Warthin’s tumor (WT) is a benign parotid neoplasm increasingly managed with tissue-preserving surgical approaches to reduce postoperative morbidity. Partial superficial parotidectomy (PSP) and extracapsular dissection (ECD) are commonly performed, whereas extracapsular enucleation (EN) remains less systematically evaluated. This study compared postoperative morbidity among EN, PSP, and ECD in a matched cohort of patients with unifocal WT. Methods: A retrospective matched cohort study was conducted at a single tertiary referral center, including patients with histologically confirmed, unifocal WT treated between 2009 and 2023. A total of 360 patients were organized into 120 matched triplets (EN, PSP, ECD), with exact matching on age group and sex and balancing for smoking status, body mass index, and alcohol use. To enable comparison under technically uncomplicated conditions, cases with documented intraoperative capsular rupture or tumor spillage were excluded. The primary endpoint was overall postoperative morbidity, defined as the occurrence of at least one predefined complication. Associations between surgical technique and morbidity were assessed using conditional logistic regression, with estimation of odds ratios (ORs), absolute risk differences (RDs), and numbers needed to treat (NNT). Results: Overall complication rates were 8.3% after EN, 29.2% after ECD, and 32.5% after PSP (p < 0.001). EN was associated with lower odds of postoperative complications compared with ECD (OR 0.23, 95% CI 0.10–0.50) and PSP (OR 0.18, 95% CI 0.08–0.41). Adjusted absolute risks were 8.3% for EN, 29.3% for ECD, and 32.4% for PSP, corresponding to absolute risk differences of 21% and 24% and numbers needed to treat of 4.8 and 4.2, respectively. Conclusions: In this selected cohort of unifocal, anatomically favorable Warthin’s tumors without intraoperative capsular violation, ΕΝ was associated with lower observed postoperative morbidity compared with ECD and PSP. These findings are context-dependent and reflect outcomes achieved under strict selection and technical conditions. Therefore, they should not be extrapolated to anatomically complex, inflamed, or diagnostically uncertain lesions. Prospective multicenter studies with standardized selection criteria are warranted to better define the role of EN in contemporary WT management. Full article

The ethanolic extract of the roots of Murraya exotica (Rutaceae) yielded twenty coumarins, including twelve previously undescribed compounds named exoticoumarins A–L (1–12; two biscoumarins, five coumarin hybrids, and five monomers). Their structures, including absolute configurations, were elucidated by a combination of NMR and HR-ESI-MS analyses, single-crystal X-ray diffraction, ECD exciton coupling, Mo₂(OAc)₄- and Rh₂(OCOCF₃)₄-induced ECD, comparison of experimental with calculated ECD spectra, and chemical hydrolysis. Anti-inflammatory evaluation in LPS-stimulated RAW264.7 macrophages identified exoticoumarins A and K (1 and 11) as potent inhibitors of nitric oxide (NO) production, with IC₅₀ values of 7.41 and 10.63 μM, respectively. Mechanistic studies revealed that 1 suppressed nitric oxide synthase (iNOS) expression at both transcriptional and translational levels, an effect associated with the inhibition of c-Jun N-terminal kinase (JNK) phosphorylation within the mitogen-activated protein kinase (MAPK) signaling pathways, without markedly affecting extracellular regulated protein kinases (ERK) 1/2 phosphorylation. These findings highlight exoticoumarin A (1) as a promising anti-inflammatory lead derived from M. exotica. Full article

Objectives: To investigate the efficacy of femtosecond laser-assisted cataract surgery (FLACS) with the FEMTO LDV Z8 laser system in comparison to manual conventional cataract surgery (CCS). Background: Preservation of corneal endothelial integrity remains one of the most critical determinants of long-term visual quality after cataract surgery. The introduction of low-energy femtosecond laser systems has raised expectations for safer and more efficient procedures, particularity in cases with denser cataracts. Methods: This is a prospective, randomized study. Here, 38 eyes in the FLACS group and 40 in the CCS group were included. The changes in central corneal thickness (CCT), endothelial cell density (ECD), and best-corrected visual acuity (BCVA) were analyzed. In addition, the effective phacoemulsification time (EPT), the total phacoemulsification time (PT), and the intraoperative time (IT) were evaluated as a function of cataract grade. The total follow-up period was six weeks. Results: On postoperative day 1, BCVA improved significantly faster in the FLACS group (0.91 ± 0.14) compared with the CCS group (0.70 ± 0.17; p < 0.05). FLACS also demonstrated a significantly shorter EPT (1.01 ± 0.91 s) than CCS (1.61 ± 1.70 s; p < 0.05). No significant differences were observed between groups regarding postoperative ECD or CCT at any time point. No intraoperative or postoperative complications occurred. Conclusions: Low-energy FLACS achieved comparable endothelial safety to CCS, while providing significantly faster early visual recovery and reduced ultrasound energy use. These finding support the clinical value of FLACS in patients with moderate to dense cataracts. Full article

In the present study, highly transparent evaporated tungsten oxide films with improved charge storage properties were used in battery-like (b-ECDs) and hybrid electrochromic devices (h-ECDs). A Co^2+/3+ redox couple was added to the electrolyte as an alternative to other redox couples that have been already used in h-ECDs. The as-prepared h-ECDs, colored homogeneously, exhibited a contrast ratio of up to 7:1 in the visible spectrum, at a cathodic voltage of −2.5 V for only 10 s, compared to 3.5:1 at a cathodic voltage of −3 V for 180 s for a b-ECD. Moreover, when the redox couple was present in the electrolyte, almost a 50% higher areal capacitance and a 55% lower charge transfer resistance at the electrochromic layer/electrolyte interface were achieved. Also, the results show that the optical performance depends strongly on the coloration procedure (potentiostatic or galvanostatic), that self-bleaching is not so intense, and especially that the energy density consumed during bleaching is reduced in the presence of the redox couple. Overall, the findings of this study highlight the benefits of using a cobalt redox electrolyte in h-ECDs, allowing a direct comparison with b-ECDs, to dynamically control incoming solar irradiation in a building, thus improving buildings’ energy efficiency. Full article

Eight previously unreported cembranoids (1–8), along with four known ones (9–12), have been isolated and identified from the soft coral Lobophytum crissum collected from the South China Sea under the guidance of HSQC-based DeepSAT analysis for targeted isolation. The structures of the new compounds were determined by comprehensive spectroscopic analysis, QM-NMR, TDDFT-ECD calculations, and comparison with reported literature data from analogs. In in vitro bioassays, all the isolated compounds have been screened for their antibacterial and antiproliferative activities. Full article

Two previously undescribed highly oxygenated cembrane-type diterpenes, namely sarcocraol A (1) and sarcocraol B (2), along with five known compounds (3–7), have been isolated from the soft coral Sarcophyton crassocaule collected off Ximao Island in the South China Sea. Their structures were determined through comprehensive spectroscopic analysis, QM-NMR calculations, TDDFT-ECD computation, X-ray diffraction analysis, and by comparison with literature data. Plausible biosynthetic pathways for these compounds were also proposed. All compounds were evaluated for peroxisome proliferator-activated receptors (PPARs) transcriptional activity using luciferase assay. The bioassay results demonstrated that compound 1 exhibits selective PPAR-γ agonistic activity. Furthermore, it promoted glucose uptake in HepG2 cells by 1.18-, 1.45-, and 1.90-fold at concentrations of 2.5, 5, and 10 μM, respectively, whereas rosiglitazone (10 μM) produced a 2.47-fold increase over the induced control. Compound 1 at 10 μM induced mild lipid accumulation in 3T3-L1 cells, showing a 1.63-fold increase relative to the control, which was much lower than the 3.28-fold increase observed in rosiglitazone (10 μM) group indicating its potential antidiabetic properties. These findings suggested that compound 1 could be a promising lead for the development of antidiabetic agents. Full article

Backgrounds: Non-alcoholic fatty liver disease (NAFLD) is a multifaceted metabolic disorder that has become a prominent public health problem worldwide. As a traditional Chinese medicine formula, the ErChen decoction (ECD) possesses significant effects on metabolic syndrome. Methods: To determine whether ECD can relieve lipid accumulation and insulin resistance (IR) in liver cells, NAFLD and IR cell models were established by treating HepG2 cells with free fatty acids and an overdose of insulin, respectively. Bioinformatics and experimental evidence demonstrated that ECD could ameliorate NAFLD by modulating multiple pathways. The optimal combination of the key compounds in ECD was identified by the orthogonal experiment. Results: For lipid homeostasis, ECD suppressed de novo lipogenesis and reduced the cholesterol level by activating the AMPK signaling pathway. Concurrently, ECD enhanced hepatic β-oxidation by inducing PPARα-mediated upregulation of ACOX-1 and CPT-1α. ECD also resolved hepatic insulin resistance by activating the IRS1-Akt-FoxO1 pathway. The combined treatment with 100 μM liquiritin (LQ), 200 μM glycyrrhizic acid (GA) and 200 μM hesperidin (HEN) exhibited the best effect in reducing TG content in NAFLD model cells. Conclusions: ECD exhibited superior activities in activating the AMPK signaling pathway compared to the optimal compound combination. The comparison between the ECD and its key compounds demonstrated the superior synergistic effects of the herbs in ECD. Full article

Analysis of NMR data reported for constituents found in the invasive soft coral Carijoa (Telesto) riisei has been used to develop a model that can identify punaglandins in C. riisei extracts. Principal component analysis of ¹H and ¹³C NMR data showed that the model can be used to identify the presence of various subclasses of punaglandins that possess different oxidations states of the cyclopentane ring. The application of this model through analysis of covariant HMBC data obtained from dichloromethane extracts showed that C. riisei has significant variability in punaglandin concentration, with many colonies being completely devoid of punaglandins. To verify the identity of compounds predicted by the model, purification of an extract obtained from C. riisei collected from an artificial reef in southeast Queensland led to the isolation of one new compound, 7Z-punaglandin 4-epoxide (1), a series of known punaglandins (2–6), and the known pregnanes 7–9. The absolute configurations of 7Z-punaglandin 4 epoxide (1), punaglandin 6 (4), and carijenone (6) were determined for the first time by comparison of experimental and TDDFT calculated ECD data. All the isolated punaglandins reported herein were predicted to be present using the NMR fingerprint model. Full article

This research explored the chemical composition of the soft coral Sarcophyton sp., leading to the discovery of six previously unreported cembranoids, sarcophynoids D–I (1–6), and three known analog compounds (7–9). Structural elucidation of the new metabolites was achieved by spectroscopic methods, including one- and two-dimensional (1D and 2D) NMR (COSY, HSQC and HMBC), high-resolution electrospray ionization mass spectrometry (HRESIMS), quantum mechanical NMR (QM-NMR) methods, electronic circular dichroism (ECD) calculations, and comparison with literature data. All isolated substances were screened for antibacterial activities, and most exhibited moderate inhibitory effects against six pathogenic bacterial strains, with MIC values between 8 and 64 μg/mL. In addition, the effects of these compounds on LPS and IFN-γ stimulated RAW264.7 cells, focused on the release of NO and TNF-α, were also evaluated, but were inactive at 20 μM. Full article

As a driver of neurodegenerative disorders, ischemic injuries, and acute organ dysfunction, ferroptosis represents a therapeutic target, and its inhibition may provide novel therapies. In our ongoing efforts to discover ferroptosis inhibitors from fungal strains, chemical investigation of the strain Diaporthe searlei CS-HF-1 led to the isolation of four polyketide-derived alkaloids (1–3 and 17) and fourteen polyketides (4–16 and 18), including three new isoindolone derivatives (1–3), a new phthalide (4), a new butyrolactone derivative (10), and three new nonenolides (11–13). The structures were determined by comprehensive spectroscopic analysis. The structures of 1, 2, and 10 were confirmed by comparison of experimental and calculated ¹³C NMR chemical shifts. The absolute configurations of compounds 10, 11, and 14 were assigned by ECD calculations, while those of 12 and 13 were assigned based on their biogenetic relationship with 14. Notably, compound 1 represents the first isoindolone featuring a primary amide group attached to the lactam nitrogen, while compound 2 is the first naturally occurring isoindolone dimer. These compounds were assessed for the anti-ferroptotic activity. As a result, asperlactone A (15) exhibited inhibition on RSL3-induced ferroptosis in HT22 cells with an EC₅₀ of 11.3 ± 0.4 μM. Preliminary mechanistic study revealed that 15 attenuated lipid peroxidation, as evidenced by reduced MDA levels, elevated GSH content, and suppression of lipid radical generation. This study offers a new chemotype for the development of novel ferroptosis inhibitors. Full article

(1) Background: Medicinal plants are widely used in folk medicine. Hypericum perforatum L. (St. John’s wort) is a medicinal plant that is used domestically and exported to other countries. This study addresses the need to develop methods for determining the composition and content of St. John’s wort to determine its biological activity. (2) Methods: High-performance liquid chromatography (HPLC) equipped with an Electrochemical Detector (ECD) and a Photodiode Array Detector (PDA) was employed to identify and quantify major phenolic compounds—gallic acid, catechin, epicatechin, hyperoside, quercetin, and hyperforin—in extracted and lyophilized St. John’s wort flower; stem; and leaf samples. Key analytes exhibited linear responses across both detection systems, within a quantification range of 0.5–10 µg/mL. (3) Results: The PDA method, validated according to ICH Q2(R1) guidelines, demonstrated specificity, linearity, precision, and accuracy, with limits of detection (LOD) ranging from 0.24 to 0.61 µg/mL and limits of quantification (LOQ) between 0.26 and 0.62 µg/mL. PDA effectively identified gallic acid, epicatechin, hyperoside, quercetin, and hyperforin, although catechin was not detected. ECD yielded comparable compound levels across the samples. (4) Conclusions: The novelty of this study lies in identifying the influence of climatic factors associated with the altitude at which St. John’s wort is grown on the content and ratio of biologically active components. Overall, the chemometric approach demonstrates the utility of raw chromatographic data in distinguishing samples by plant part and geographic origin; even when traditional compound-based comparisons may be limited. Full article