The gut microbiota modulates airway inflammation in allergic asthma through the gut-lung axis related immune modulation: A review.

The human gut microbiota is a vast and complex microbial community. According to statistics, the number of bacteria residing in the human intestinal tract is approximately ten times that of total human cells, with over 1000 different species. The interaction between the gut microbiota and various organ tissues plays a crucial role in the pathogenesis of local and systemic diseases, exerting a significant influence on disease progression.

Aromatic Hydrocarbon Based and Space Interactions Induced Color-tunable Single-component Organic Phosphorescence.

Construction of new system and exploration of new approach are of great importance for the improvement of their photophysical properties to meet the growing various uses of phosphorescent materials. Triphenylmethane (TPM), composed only of carbon and hydrogen, exhibits excellent color tunable phosphorescence in air, with ultralong lifetime (836 ms), and wide color-tunable range (from cyan to green, then to yellow and finally to orange, 525 nm-616 nm). Through careful comparison with the single crystal diffraction structure of tetraphenylmethane (TTPM) and theoretical calculation analysis, we believe that various clusters formed through space interactions are crucial for color-tunable phosphorescence.

Selective access to dihydrophenanthridines and phenanthridinones cyclisation of aryl amines onto -tethered arynes.

5,6-Dihydrophenanthridines are prepared from aryl amines intramolecular addition to -tethered arynes under mild conditions. A new -silylaryl triflate precursor was developed to increase reactivity and enable electron-rich and electron-poor aryl amines to undergo cyclisation. A complete switch in product selectivity occurs when the reaction is conducted in air, affording the corresponding phenanthridin-6(5)-one as the sole product under otherwise identical reaction conditions.

Color-Tunable Ultralong Organic Phosphorescence: Commercially Available Triphenylmethylamine for UV-Light Response and Anticounterfeiting.

Due to the unclear mechanism and lack of effective design for color-tunable ultralong organic phosphorescence (UOP) in a single-component molecule, the development of new types of single-component UOP materials with color-tunable property remains challenging. Herein, commercially available triphenylmethylamine-based single-component phosphors featuring color-tunablity and ultralong lifetime (0.56 s) are reported.

Phototheranostics for NIR fluorescence image guided PDT/PTT with extended conjugation and enhanced TICT.

Introducing donor and acceptor into conjugated system can facilitate the intersystem crossing (ISC) rate to increase the generation of ROS. Twisted intramolecular charge transfer (TICT) state could favor enhance the nonradiative transition and photothermal conversion efficiency (PCE). Herein, diketopyrrolopyrrole (DPP) core functionalized benzene (PDDP), thiophene (TDPP), triphenylamine-conjugated benzene (TPA-PDDP) and thiophene (TPA-TDPP) derivatives were designed and synthesized.

Host-Genome Similarity Characterizes the Adaption of SARS-CoV-2 to Humans.

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has a high mutation rate and many variants have emerged in the last 2 years, including Alpha, Beta, Delta, Gamma and Omicron. Studies showed that the host-genome similarity (HGS) of SARS-CoV-2 is higher than SARS-CoV and the HGS of open reading frame (ORF) in coronavirus genome is closely related to suppression of innate immunity. Many works have shown that ORF 6 and ORF 8 of SARS-CoV-2 play an important role in suppressing IFN-β signaling pathway in vivo.

Numerical Studies on Cellulose Hydrolysis in Organic-Liquid-Solid Phase Systems with a Liquid Membrane Catalysis Model.

The catalytic hydrolysis of cellulose to produce 5-hydroxymethylfurfural (HMF) is a powerful means of biomass resources. The current efficient hydrolysis of cellulose to obtain HMF is dominated by multiphase reaction systems. However, there is still a lack of studies on the synergistic mechanisms and component transport between the various processes of cellulose hydrolysis in a complex multiphase system.

Understanding the Stabilization of a Bulk Nanobubble: A Molecular Dynamics Analysis.

Bulk nanobubbles (NBs) have received considerable attention because of their extensive potential applications, such as in ultrasound imaging and water management. Although multiple types of experimental evidence have supported the existence and stabilization of bulk NBs, the underlying mechanism remains unclear. This study numerically investigates the bulk NB stabilization with molecular dynamics (MD) methods: the all-atom (AA) MD simulation is used for NBs of several nanometers diameter; the coarse-grained (CG) MD simulation is for the NBs of about 100 nm.

Liquid membrane catalytic model of hydrolyzing cellulose into 5-hydroxymethylfurfural based on the lattice Boltzmann method.

Conversion of cellulose to 5-hydroxymethylfurfural (HMF) is an important means of biomass utilization. However, simulation of hydrolysis of cellulose and species transport in multiphase systems is still missing. In this paper, a multiphase lattice Boltzmann method of the Shan-Chen model has been applied for simulating the complex chemical reactions and interphase mass transfer in a liquid membrane catalytic reactor.

[Study on the accuracy of oxygen concentration of modified oxygen treatment with Venturi and humidity system].

Objective: To verify the accuracy of oxygen concentration (FiO) of modified oxygen treatment with Venturi and humidity system.

Methods: Patients just after ventilator weaning and before the removal of tracheal intubation/tracheotomy tube, who admitted to the intensive care unit (ICU) of Henan Provincial People's Hospital from May 1st to December 15th in 2017, were enrolled. All patients were given a modified oxygen treatment with Venturi and humidity system, and the oxygen flow rate (Flow) of the Venturi device and the oretical value of FiO were adjusted according to the patient's condition.

The Relationship Between Low-Frequency Motions and Community Structure of Residue Network in Protein Molecules.

The global shape of a protein molecule is believed to be dominant in determining low-frequency deformational motions. However, how structure dynamics relies on residue interactions remains largely unknown. The global residue community structure and the local residue interactions are two important coexisting factors imposing significant effects on low-frequency normal modes.

OPUS-DOSP: A Distance- and Orientation-Dependent All-Atom Potential Derived from Side-Chain Packing.

We report a new distance- and orientation-dependent, all-atom statistical potential derived from side-chain packing, named OPUS-DOSP, for protein structure modeling. The framework of OPUS-DOSP is based on OPUS-PSP, previously developed by us [JMB (2008), 376, 288-301], with refinement and new features. In particular, distance or orientation contribution is considered depending on the range of contact distance.

Intermolecular Aryne Ene Reaction of Hantzsch Esters: Stable Covalent Ene Adducts from a 1,4-Dihydropyridine Reaction.

The reaction of arynes with 1,4-dihydropyridines affords 2-aryl-1,2-dihydropyridines or 2-methylene-3-aryl-1,2,3,4-tetrahydropyridines via a regioselective C-2 or C-3 arylation. These compounds are the first series of isolable and bench-stable covalent ene adducts formed between dihydropyridines and unsaturated substrates. Experimental studies and DFT calculations provide mechanistic support for a concerted intermolecular aryne ene process, which may have implications for NAD(P)H model reactions.

From isotropic to anisotropic side chain representations: comparison of three models for residue contact estimation.

The criterion to determine residue contact is a fundamental problem in deriving knowledge-based mean-force potential energy calculations for protein structures. A frequently used criterion is to require the side chain center-to-center distance or the -to- atom distance to be within a pre-determined cutoff distance. However, the spatially anisotropic nature of the side chain determines that it is challenging to identify the contact pairs.

Understanding on the residue contact network using the log-normal cluster model and the multilevel wheel diagram.

Residue clusters play essential role in stabilizing protein structures in the form of complex networks. We show that the cluster sizes in a native protein follow the log-normal distribution for a dataset consisting of 424 proteins. To our knowledge, this is the first time of such fitting for the native structures.

Structure prediction for the helical skeletons detected from the low resolution protein density map.

Background: The current advances in electron cryo-microscopy technique have made it possible to obtain protein density maps at about 6-10 A resolution. Although it is hard to derive the protein chain directly from such a low resolution map, the location of the secondary structures such as helices and strands can be computationally detected. It has been demonstrated that such low-resolution map can be used during the protein structure prediction process to enhance the structure prediction.

Native secondary structure topology has near minimum contact energy among all possible geometrically constrained topologies.

Secondary structure topology in this article refers to the order and the direction of the secondary structures, such as helices and strands, with respect to the protein sequence. Even when the locations of the secondary structure Calpha atoms are known, there are still (N!2(N))(M!2(M)) different possible topologies for a protein with N helices and M strands. This work explored the question if the native topology is likely to be identified among a large set of all possible geometrically constrained topologies through an evaluation of the residue contact energy formed by the secondary structures, instead of the entire chain.

Reduction of the secondary structure topological space through direct estimation of the contact energy formed by the secondary structures.

Background: Electron cryomicroscopy is a fast developing technique aiming at the determination of the 3-dimensional structures of large protein complexes. Using this technique, protein density maps can be generated with 6 to 10 A resolution. At such resolutions, the secondary structure elements such as helices and beta-strands appear to be skeletons and can be computationally detected.

The lysine demethylase LSD1 (KDM1) is required for maintenance of global DNA methylation.

Histone methylation and DNA methylation cooperatively regulate chromatin structure and gene activity. How these two systems coordinate with each other remains unclear. Here we study the biological function of lysine-specific demethylase 1 (LSD1, also known as KDM1 and AOF2), which has been shown to demethylate histone H3 on lysine 4 (H3K4) and lysine 9 (H3K9).

Physical organic chemistry of transition metal carbene complexes. 24. Thermodynamic and kinetic acidities of phenyl-substituted (benzylmethoxycarbene)pentacarbonylchromium(0) complexes. Is there a transition-state imbalance?

A kinetic study of the reversible deprotonation of phenyl-substituted (benzylmethoxycarbene)pentacarbonylchromium(0) complexes by OH(-) and by a series of primary aliphatic and a series of secondary alicyclic amines in 50% MeCN-50% water (v/v) at 25 degrees C is reported. Brønsted alpha(CH) values (dependence on carbene complex acidity) and beta(B) values (dependence on amine basicity) were determined. According to current notions about proton transfers involving carbon acids activated by pi-acceptors, alpha(CH) was expected to substantially exceed beta(B), the result of transition-state imbalances that are characteristic of such reactions.

Lineage-specific expression of polypyrimidine tract binding protein (PTB) in Drosophila embryos.

Polypyrimidine tract binding protein (PTB) is a member of the hnRNP family of RNA binding proteins (Nucleic Acids Res., 20 (1992) 3671) that functions in a number of processes important for the regulation of mRNA metabolism and gene expression (reviewed in Curr. Biol.