This study reported an efficient and green approach towards facilitating hydrolysis of waste activated sludge (WAS) using cation exchange resin (CER) as a recyclable additive. Through CER-mediated removal of multivalent cations, WAS flocs were disintegrated into small particles with extracellular polymeric substance (EPS) solubilization. At CER dosage of 1.75 g/g SS, SCOD increased to 2579 mg/L (SCOD/TCOD = 15.9%) after 8-h hydrolysis. Afterwards, CER displayed further sludge hydrolysis performance lasting 2 days, i.e. SCOD/TCOD = 34.2%. Meanwhile, proteins, carbohydrates and other organics in dissolved organic matters (DOMs) were major contributors for volatile fatty acids (VFAs) accumulation, with composition percentage VFAs (58.9%) > proteins (21.8%) > other organics (8.8%) > humic acids (5.9%) > carbohydrates (4.4%). The biodegradable tryptophan-like and tyrosine-like proteins were major proteins, while other organics included amino acids, aliphatic and metabolic intermediates. More than 85.2% of DOMs were easily biodegradable. Moreover, CER-induced hydrolysis modified microbial community structure through inhibiting VFAs-utilizing microbes, while hydrolytic-acidogenic bacteria were enriched, responsible for DOMs biodegradation. Atomically detailed description of conformational dynamics in biomolecules is often essential to understand biological functions. Combining experimental measurements with molecular simulations significantly improves the outcome. Ensemble refinements, where the simulations are utilized to refine ensemble averaged data in NMR, SAXS, or cryo-EM, are a popular approach in integrative structural biology. Single-molecule time-series data contain rich temporal information of biomolecular dynamics. However, direct usage of the time-series data together with molecular simulations is just beginning. Here, we review data-assimilation approaches linking molecular simulations with experimental time-series data and discuss current limitations and potential applications of this approach in integrative structural biology. To characterize structural white matter substrates associated with language functions in children with language disorders (LD), a psychometry-driven diffusion tractography network was investigated with canonical correlation analysis (CCA), which can reliably predict expressive and receptive language scores from the nodal efficiency (NE) of the obtained network. The CCA found that the NE values of six regions left inferior-frontal-opercular, left insular, left angular gyrus, left superior-temporal-gyrus, right hippocampus, and right cerebellar-lobule were highly correlated with language scores (ρexpressive/ρreceptive = 0.609/0.528), yielding significant differentiation of LD from controls using new imaging predictors uexpressive (F = 15.024, p = .0003) and ureceptive (F = 7.421, p = .009). This study demonstrates the utility of intrinsic language network analyses in distinguishing and potentially subtyping the type and severity of language deficit, especially in very young children (≤3 years) with LD. The use of structural imaging to identify children with persisting language disorder could prove useful in understanding the etiology of language disorder. The peri-, chemo-, regio-, stereo- and enantio-selectivities of 1,3-dipolar cycloaddition reaction of C,N-disubstituted nitrones with disubstituted 4-methylene-1,3-oxazol-5(4H)-one have been studied using density functional theory (DFT) at the M06-2X/6-311G (d,p) level of theory. The 1,3-dipole preferentially adds chemo-selectively across the olefinic bond in a (3 + 2) fashion forming the corresponding spirocycloadduct. The titled reaction occurs with poor enantio- and stereo-selectivities, but a high degree of regio-selectivity is observed for the addition of the 1,3-dipole across the dipolarophile. Electron-withdrawing groups on the dipolarophile significantly reduce the activation barriers while electron-donating groups on the dipolarophile increase the activation barriers. Analysis of the HOMO and LUMO energies of the two reacting species indicates that the 1,3-dipole reacts as a nucleophile while the dipolarophile reacts as the electrophile. Investigation of the electrophilic Parr function (PK+) at the various reaction centers in the dipolarophile indicates that the 1,3-dipole selectively adds across the atomic species with the largest electrophilic Mulliken and NBO atomic spin densities which is in accordance with the energetic trends observed. A pair of Al13+ clusters, one perfectly planar (CI) and another quasi-planar structure (CII) have been reported recently by our group [Guin et al. Journal of Molecular Modeling, 2018, 24, 344]. Both these clusters are rare examples of metal-aromatic systems having unique aromatic character. In these clusters, localized strong anti-aromatic deltas are embedded within a strong aromatic sea. The quasi-planar CII structure is a true minimum structure with zero imaginary frequency, but the planar CI structure has been found to have three imaginary frequencies. Further search for a possible transition structure (CT) with single imaginary frequency was successful, which shows that CT structure is also quasi-planar but the tail region of this cluster is puckered downward as compared to that of the CII cluster for which tail region is puckered upward. A comparative electronic structural analysis of these three clusters have been carried out which has provided insight into the way the transformation among the three states take place. Harmonic frequency analysis of these clusters reveals that transition from CT to CII occurs through the planar cluster CI that appears to have an intermediate geometry between the downwardly puckered CT and the upwardly puckered CII. A comparative NICS, ELF, AIM and LOL analysis of all three clusters reveal that the global aromatic nature increases in the sequence CT, CI, CII. A TDDFT study reveals that the oscillator strength of both CT and CII cluster is quite close to each other, which are one order of magnitude higher than the planar CI cluster. Dysbiosis of the vaginal microbiome as a result of overgrowth of anaerobic bacteria leads to bacterial vaginosis (BV) which is associated with increased inflammation in the genital mucosa. Moreover, BV increases susceptibility to sexual transmitted infections (STIs) and is associated with adverse pregnancy outcomes. It remains unclear how specific vaginal aerobic and anaerobic bacteria affect health and disease. We selected different vaginal bacteria ranging from true commensals to species associated with dysbiosis and investigated their effects on activation of dendritic cells (DCs).  https://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html  Commensal Lactobacilli crispatus did not induce DC maturation nor led to production of pro-inflammatory cytokines. In contrast, BV-associated bacteria Megasphaera elsdenii and Prevotella timonensis induced DC maturation and increased levels of pro-inflammatory cytokines. Notably, DCs stimulated with Prevotella timonensis suppressed Th2 responses and induced Th1 skewing, typically associated with preterm birth. In contrast, Lactobacillus crispatus and Megasphaera elsdenii did not affect Th cell polarization.