Notes

Refining measured gene co-expression system examination which has a multi-threaded calculation in the topological overlap matrix.
A "two-in-one" strategy was employed to construct 3D-COFs for the first time. Based on this strategy, a 3D-Flu-COF could be readily synthesized in various simplex organic solvents. Benefitting from the non-conjugated structure, the 3D-Flu-COF showcased excellent acidichromic sensing performance with good sensitivity, reversibility and naked eye visibility.We use the model system ethanol-dodecane to demonstrate that giant critical fluctuations induced by easily accessible weak centrifugal fields as low as 2000g can be observed above the miscibility gap of a binary liquid mixture. Moreover, several degrees above the phase transition, i.e. in the one-phase region, strong gradients of ethanol concentration occur upon centrifugation. In this case, the standard interpretation of sedimentation equilibrium in the analytical ultracentrifuge (AUC) yields an apparent molar mass of ethanol three orders of magnitude higher than the real value. Notably, these composition gradients have no influence on the distribution gradient of solutes such as dyes like Nile red. The thick opaque interphase formed upon centrifugation does not appear as the commonly observed sharp meniscus, but as a turbidity zone, similar to critical opalescence. This layer is a few millimeters thick and separates two fluids with low compositional gradients. All these effects can be qualitatively understood and explained using the Flory-Huggins solution model coupled to classical density functional theory (DFT). In this domain hetero-phase fluctuations can be triggered by gravity even far from the critical point. Taking into account Jean Perrin's approach to external fields in colloids, a self-consistent definition of the Flory effective volume and an explicit calculation of the total free energy per unit volume is possible.Uridine (UR) is a pyrimidine nucleoside that plays an important role in regulating glucose and lipid metabolism. The aim of this study was to investigate the effect of UR on obesity, fat accumulation in liver, and gut microbiota composition in high-fat diet (HFD)-fed mice. ICR mice were, respectively, divided into 3 groups for 8 weeks, that is, control (CON, n = 12), high fat diet (HFD, n = 16), and HFD + UR groups (0.4 mg mL-1 in drinking water, n = 16). UR supplementation significantly reduced the body weight and suppressed the accumulation of subcutaneous, epididymal, and mesenteric WAT in HFD-fed mice (P less then 0.05). Meanwhile, UR also decreased the lipid droplet accumulation in the liver and liver organoids (P less then 0.05). In addition, UR supplementation increased bacterial diversity and Bacteroidetes abundance, and decreased the Firmicutes-to-Bacteroidetes ratio in HFD-fed mice significantly (P less then 0.05). UR promoted the growth of butyrate-producing bacteria of Odoribacter, unidentified-Ruminococcaceae, Intestinimonas, Ruminiclostridium, and unidentified-Lachnospiraceae. A close correlation between several specific bacterial phyla or genera and the levels of WAT weight, hepatic TC, or hepatic TG genera was revealed through Spearman's correlation analysis. These results demonstrated that UR supplementation could be beneficial by attenuating HFD-induced obesity and nonalcoholic fatty liver disease.About one in three people are affected by anxiety disorders during their lifetime. Anxiety episodes can be brief due to a stressful event, but anxiety disorders can last at least 6 months. CB-5339 datasheet A wide variety of therapeutic drugs are available for the treatment of anxiety disorders, but due to the associated side effects of these anxiolytics, it is interesting to find alternatives. Some food protein hydrolysates or active peptide fragments present in such hydrolysates provide a natural and promising mean for preventing certain forms of anxiety. To date, only a small number of hydrolysates or peptides from food proteins with anxiolytic-like activity have been characterized. Most of these hydrolysates or peptides have displayed potent anxiolytic profiles in animal or clinical studies. The results suggest that these molecules may exert their effects at different levels. This paper reviews the data of the structure/activity relationship, physiological effects displayed in in vitro and in vivo assays, bioavailability, and safety profiles of anxiolytic peptides.Polymeric coordination compounds based on Cr2n+ paddle-wheel building blocks with non-carboxylate O,O-donor ligands chelating and bridging the Cr-Cr centers have been underexplored hitherto. This paper reports the synthesis and crystal structure of a new homo-valent chromium(ii,ii) compound, Na3HCr2(CO3)4·10H2O (1). It has a two-dimensional structure in which the paddlewheel chromium(ii,ii) units of Cr2(CO3)44- are cross-linked through the carbonate groups. The layers are stacked along the [100] direction, and Na ions fill the intra and interlayer spaces with a neighboring layer distance of about 11.3 Å. The investigation of the primary magnetic properties and theoretical studies with density functional theory (DFT) reveal the partial paramagnetic properties of compound 1 arising from the Boltzmann distribution between a ground state σ2π4δ2 with S = 0 and a low-lying excited state σ2π4δδ* with S = 1 for the Cr2(ii,ii) dimer. According to Raman spectra measurements combined with theoretical calculations, the two Raman bands in the small-wavenumber region at 335 and 297 cm-1 were assigned to the vibration of the Cr-O bonds and the band at 371 cm-1 was assigned to the stretching of the Cr-Cr quadruple bond.Though the field of fluorescent sensors has been known for more than 150 years, tremendous developments were made in the past two decades with the emergence of fluorescence-based optical sensors that are now inevitable tools for sensing a variety of biological, chemical and environmental analytes. These probes are simple, highly sensitive, selective and specific towards detection. There are several unique mechanisms adopted by these probes towards sensing analytes. This tutorial review introduces various fluorescent probes that are being employed in the development of chemo- and bio-sensors for the detection of various charged and neutral species, including biomacromolecules like proteins and nucleic acids. This review mainly focuses on basic principles involved in the design of probes with different sensing methods like self-immolation, peptide beacon, FRET, photo-induced electron/charge transfer, etc. The complexity observed in biological systems with interference from numerous other analytes and the necessity to use multiple probes was overcome by using multiple responsive probes. Herein we have discussed the design and sensing mechanism of various probes that find applications in physical, chemical and biological sciences, diagnostics and therapeutics.Time-resolved X-ray (tr-XAS) and optical transient absorption (OTA) spectroscopy in the picosecond time scale coupled with Density Functional theory (DFT) and X-ray absorption near-edge structure (XANES) calculations are applied to study three homoleptic Cu(i) dimeric chromophores with ethyl and longer propyl spacers, denoted as [Cu2(mphenet)2]Cl2 (C1), [Cu2(mphenet)2](ClO4)2 (C2) and [Cu2(mphenpr)2](ClO4)2 (C3) (where mphenet = 1,2-bis(9-methyl-1,10-phenanthrolin-2-yl)ethane and mphenpr = 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane). Tr-XAS analysis after light illumination at ∼ 100 ps illustrate the formation of a flattened triplet excited state in all 3 complexes. Optical transient absorption (OTA) analysis for C1 monitored in water and C2 and C3 measured in acetonitrile reveals distinct excited-state lifetimes of 169 ps, 670 ps and 1600 ps respectively. These differences are associated to changes in the solvent (comparing C1 and C2) and the flexibility of the ligand to adapt after Cu flattening upon excitation (C2 and C3). link2 Our results are important for the improved structural dynamics of these types of Cu-based dimeric compounds, and can guide the integration of these chromophores into more complex solar energy conversion schemes.Determining the nitrate levels is critical for water quality monitoring, and traditional methods are limited by high toxicity and low detection efficiency. Here, rapid nitrate determination was realized using a portable device based on innovative three-dimensional double microstructured assisted reactors (DMARs). link3 On-chip nitrate reduction and chromogenic reaction were conducted in the DMARs, and the reaction products then flowed into a PMMA optical detection chip for absorbance measurement. A significant enhancement of reaction rate and efficiency was observed in the DMARs due to their sizeable surface-area-to-volume ratios and hydrodynamics in the microchannels. The highest reduction ratio of 94.8% was realized by optimizing experimental parameters, which is greatly improved compared to conventional zinc-cadmium based approaches. Besides, modular optical detection improves the reliability of the portable device, and a smartphone was used to achieve a portable and convenient nitrate analysis. Different water samples were successfully analysed using the portable device based on DMARs. The results demonstrated that the device features fast detection (115 s per sample), low reagent consumptions (26.8 μL per sample), particularly low consumptions of toxic reagents (0.38 μL per sample), good reproducibility and low relative standard deviations (RSDs, 0.5-1.38%). Predictably, the portable lab-on-chip device based on microstructured assisted reactors will find more applications in the field of water quality monitoring in the near future.We present a detailed DFT mechanistic study on the first Ni-catalyzed direct carbonyl-Heck coupling of aryl triflates and aldehydes to afford ketones. The precatalyst Ni(COD)2 is activated with the phosphine (phos) ligand, followed by coordination of the substrate PhOTf, to form [Ni(phos)(PhOTf)] for intramolecular PhOTf to Ni(0) oxidative addition. The ensuing phenyl-Ni(ii) triflate complex substitutes benzaldehyde for triflate by an interchange mechanism, leaving the triflate anion in the second coordination sphere held by Coulomb attraction. The Ni(ii) complex cation undergoes benzaldehyde C[double bond, length as m-dash]O insertion into the Ni-Ph bond, followed by β-hydride elimination, to produce Ni(ii)-bound benzophenone, which is released by interchange with triflate. The resulting neutral Ni(ii) hydride complex leads to regeneration of the active catalyst following base-mediated deprotonation/reduction. The benzaldehyde C[double bond, length as m-dash]O insertion is the rate-determining step. The triflate anion, while remaining in the second sphere, engages in electrostatic interactions with the first sphere, thereby stabilizing the intermediate/transition state and enabling the desired reactivity. This is the first time that such second-sphere interaction and its impact on cross-coupling reactivity has been elucidated. The new insights gained from this study can help better understand and improve Heck-type reactions.Topological nodal-line semimetals, as a type of exotic quantum electronic state, have drawn considerable research interest recently. In this work, we propose a new two-dimensional covalent-organic Cr2N6C3 monolayer (ML) material, which has a combined honeycomb and effective Kagome lattice and has various half-metallic nodal loops (HMNLs). First-principles calculations show that the Cr2N6C3 ML is dynamically and thermally stable and has an out-of-plane ferromagnetic order. Remarkably, various nodal loops, including types I-III, are found coexisting in the material, all of which are rare half-metallic states. The obtained HMNLs, simultaneously possessing the merits of spintronics and semimetals, are robust against spin-orbit coupling and biaxial strain. A topological phase transition, characterized by loop-winding indexes, can be induced in the ML by applying uniaxial strain. Tight-binding model calculations show that the obtained HMNLs originate primarily from the band inversion between Cr dx2-y2/xy and N pz orbitals, accommodated on the honeycomb and Kagome sublattices, respectively.
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