Postcombustion CO₂ Capture in Functionalized Porous Coordination Networks

Motivated by recent experimental reports of zirconium porous coordination networks (PCNs) [<i>J. Am. Chem. Soc.</i> <b>2012</b>, <i>134</i>, 14690–14693], which have demonstrated a good stability and CO₂ adsorption capacity, we investigate the influence of flue gas impurities and functional groups on the performance of PCN frameworks in selective CO₂ capture. Using a combination of grand canonical Monte Carlo (GCMC) simulations and first-principles calculations, we find that O₂ and SO₂ impurities in flue gas have a negligible influence on CO₂ selectivity in all PCN frameworks. However, because of strong electrostatic interaction between H₂O molecules and the framework, CO₂ selectivity decreases in all PCN structures in the presence of water impurities in the flue gas. Our studies suggest that the PCN-59 framework can be a good candidate for selective CO₂ separation from a predehydrated flue gas mixture

Discovery of the First <i>N</i>‑Hydroxycinnamamide-Based Histone Deacetylase 1/3 Dual Inhibitors with Potent Oral Antitumor Activity

In our previous study, we designed and synthesized a novel series of <i>N</i>-hydroxycinnamamide-based HDAC inhibitors (HDACIs), among which the representative compound <b>14a</b> exhibited promising HDACs inhibition and antitumor activity. In this current study, we report the development of a more potent class of <i>N</i>-hydroxycinnamamide-based HDACIs, using <b>14a</b> as lead, among which, compound <b>11r</b> gave IC₅₀ values of 11.8, 498.1, 3.9, 2000.8, 5700.4, 308.2, and 900.4 nM for the inhibition of HDAC1, HDAC2, HDAC3, HDAC8, HDAC4, HDAC6, and HDAC11, exhibiting dual HDAC1/3 selectivity. Compounds <b>11e</b>, <b>11r</b>, <b>11w</b>, and <b>11y</b> showed excellent growth inhibition in multiple tumor cell lines. In vivo antitumor assay in U937 xenograft model identified compound <b>11r</b> as a potent, orally active HDACI. To the best of our knowledge, this work constitutes the first report of oral active <i>N</i>-hydroxycinnamamide-based HDACIs with dual HDAC1/3 selectivity

Multiscale Structural Engineering Boosts Piezoelectricity in Na_0.5Bi_2.5Nb₂O₉‑Based High-Temperature Piezoceramics

High-temperature piezoelectric materials, which enable the accurate and reliable sensing of physical parameters to guarantee the functional operation of various systems under harsh conditions, are highly demanded. To this end, both large piezoelectricity and high Curie temperature are pivotal figures of merit (FOMs) for high-temperature piezoceramics. Unfortunately, despite intensive pursuits, it remains a formidable challenge to unravel the inverse correlation between these FOMs. Herein, a conceptual material paradigm of multiscale structural engineering was proposed to address this dilemma. The synergistic effects of phase structure reminiscent of a polymorphic phase boundary and refined domain morphology simultaneously contribute to a large piezoelectric coefficient d33 of 30.3 pC/N and a high Curie temperature TC of 740 °C in (LiCeNd) codoped Na0.5Bi2.5Nb2O9 (NBN-LCN) ceramics. More encouragingly, the system has exceptional thermal stability and is nonsusceptible to mechanical loading. This study not only demonstrates that the high-performance and robust NBN-LCN high-temperature piezoceramics hold great potential for implements under harsh conditions but also opens an avenue for integrating antagonistic properties for the enhancement of the collective performance in functional materials

Insights into the Impact of a Membrane-Anchoring Moiety on the Biological Activities of Bivalent Compounds As Potential Neuroprotectants for Alzheimer’s Disease

Bivalent compounds anchoring in different manners to the membrane were designed and biologically characterized to understand the contribution of the anchor moiety to their biological activity as neuroprotectants for Alzheimer’s disease. Our results established that the anchor moiety is essential, and we identified a preference for diosgenin, as evidenced by <b>17MD</b>. Studies in primary neurons and mouse brain mitochondria also identified <b>17MD</b> as exhibiting activity on neuritic outgrowth and the state 3 oxidative rate of glutamate while preserving the coupling capacity of the mitochondria. Significantly, our studies demonstrated that the integrated bivalent structure is essential to the observed biological activities. Further studies employing bivalent compounds as probes in a model membrane also revealed the influence of the anchor moiety on how they interact with the membrane. Collectively, our results suggest diosgenin to be an optimal anchor moiety, providing bivalent compounds with promising pharmacology that have potential applications for Alzheimer’s disease

Structural Insights of Benzenesulfonamide Analogues as NLRP3 Inflammasome Inhibitors: Design, Synthesis, and Biological Characterization

NLRP3 inflammasome plays critical roles in a variety of human diseases and represents a promising drug target. In this study, we established the in vivo functional activities of <b>JC124</b>, a previously identified NLRP3 inflammasome inhibitor from our group, in mouse models of Alzheimer’s disease and acute myocardial infarction. To understand the chemical space of this lead structure, a series of analogues were designed, synthesized, and biologically characterized. The results revealed the critical roles of the two substituents on the benzamide moiety of <b>JC124</b>. On the other hand, modifications on the sulfonamide moiety of <b>JC124</b> are well tolerated. Two new lead compounds, <b>14</b> and <b>17</b>, were identified with improved inhibitory potency (IC₅₀ values of 0.55 ± 0.091 and 0.42 ± 0.080 μM, respectively). Further characterization confirmed their selectivity and in vivo target engagement. Collectively, the results strongly encourage further development of more potent analogues based on this chemical scaffold

Data_Sheet_1_Associations of phthalates with NAFLD and liver fibrosis: A nationally representative cross-sectional study from NHANES 2017 to 2018.docx

ObjectiveAlthough phthalates are common environmental pollutants, few studies have focused on the relationship of phthalates exposure with non-alcoholic fatty liver disease (NAFLD) or liver fibrosis, and especially, the alternative phthalates have been questioned in recent years about whether they are better choices. Thus, this study aimed to explore the associations of exposure to major phthalates or alternative phthalates with NAFLD and liver fibrosis.MethodsData of 1450 adults from the National Health and Nutrition Examination Survey (NHANES) 2017-2018 were collected. The urinary metabolite concentrations of di-2-ethylhexyl phthalate (DEHP), diisononyl phthalate (DINP) and diisodecyl phthalate (DIDP) were detected. Controlled attenuation parameter (CAP) and median liver stiffness measurement (LSM) were acquired for quantitative diagnosis of NAFLD and liver fibrosis by vibration-controlled transient elastography. Multivariate logistic regression analysis and linear regression analysis were performed to examine the associations between phthalates and NAFLD and liver fibrosis.ResultsAfter adjustment of the potential factors, the prevalence of NAFLD was significantly elevated among those in the fourth quartile of mono-(2-ethyl-5-carboxypentyl) phthalate (OR, 95%CI = 2.719, 1.296, 5.700, P = 0.016), mono (2-ethyl-5-hydroxyhexyl) phthalate (OR, 95%CI = 2.073, 1.111, 3.867, P = 0.037). No significant association was found between the alternative phthalates and NAFLD. The similar result was gained by linear regression analysis that MECPP was still significantly associated with Ln CAP (Q4 vs. Q1: β, 95%CI = 0.067, 0.017, 0.118, P = 0.027). After adjustment for the same covariates, no significant association between phthalates and liver fibrosis was found in logistics regression analysis.ConclusionsAll in all, higher prevalence of NAFLD is correlated with DEHP but not DINP or DIDP in American adults. There is no significant relationship between phthalates and liver fibrosis defined as LSM ≥ 8 Kpa. Nevertheless, further research is needed to provide evidence of causality.</p