Density functional theory studies on properties of cluster CoMoS (n=1 ~ 5): interatomic interactions, electronic properties, frontier orbitals.

Context: To comprehend the microscopic property alterations within the ConMoS cluster (n=1-5), this study investigates its internal interactions, electronic characteristics, and orbital correlations employing density functional theory. Structural optimization and theoretical analysis of the cluster are conducted using the Gaussian09 software package, considering various spin multiplicities and employing the B3LYP/def2tzvp quantum chemical method as the computational standard. The outcomes reveal the optimization of the cluster, resulting in 21 stable configurations while continually acquiring energy from the external environment.

Three Pairs of Novel Enantiomeric 8--4' Type Neolignans from and Their Anti-inflammatory Effects In Vitro.

Three pairs of novel enantiomeric 8-O-4′ type neolignans (1a/1b−3a/3b), together with seven known analogues (4−10), were isolated from the whole plants of Saussurea medusa. Their structures were elucidated by extensive spectroscopic data analysis and electric circular dichroism (ECD) calculations after chiral separations. All compounds were obtained from S.

Megastigmane sesquiterpenoids from and their anti-inflammatory activities.

An ethanol extract of the whole plants of had been investigated to find novel anti-inflammatory sesquiterpenoids. Extensive spectroscopic data and chemical methods were applied to elucidate the structures of the compounds. One new megastigmane sesquiterpenoid (), along with 11 known analogues (-), were obtained from .

Five New Diarylbutyrolactones and Sesquilignans from Saussurea medusa and Their Inhibitory Effects on LPS-induced NO Production.

Five new diarylbutyrolactones and sesquilignans (1A/1B:  - 4: ), including one pair of enantiomers (1A/1B: ), together with 10 known analogues (5:  - 14: ), were isolated from the whole plants of . Compound 1: was found to possess an unusual 7,8'-diarylbutyrolactone lignan structure. Separation by chiral HPLC analysis led to the isolation of one pair of enantiomers, (+)-1A: and (-)-1B: .

Individualized positive end-expiratory pressure with and without recruitment maneuvers in obese patients during bariatric surgery.

This study aimed to determine whether regular recruitment maneuvers (RMs) are essential for obese patients (OPs) undergoing elective laparoscopic bariatric surgery (LBS) during intraoperative ventilation with individualized positive end-expiratory pressure (PEEP). Patients were randomly assigned to two arms: the RM + PEEP arm consisted of individualized PEEP titrated by electrical impedance tomography (EIT) with two regular RMs and the PEEP arm consisted of individualized PEEP titrated by EIT without additional RMs. For these two arms together, EIT-guided PEEP varied among individuals.

A General Strategy for Development of Activatable NIR-II Fluorescent Probes for In Vivo High-Contrast Bioimaging.

Organic dye based NIR-II fluorescent probes, owing to their high signal-to-background ratio and deeper penetration, are highly useful for deep-tissue high-contrast imaging in vivo. However, it is still a challenge to design activatable NIR-II fluorescent probes. Here, a novel class of polymethine dyes (NIRII-RTs), with bright (quantum yield up to 2.

A general strategy for development of a single benzene fluorophore with full-color-tunable, environmentally insensitive, and two-photon solid-state emission.

We report here a single-benzene based fluorescent framework, amino-terephthalonitrile, denoted SB-Fluor. This scaffold displays versatile emission wavelength tunability via structure modification, covering the full visible light spectrum, both in the solution and solid state. Moreover, one molecule, SBF3, exhibits polymorphism-dependent reversible mechanochromic luminescence.

Two new sesquiterpene pyridine alkaloids from root barks of .

Two new sesquiterpene pyridine alkaloids, Chinese bittersweet alkaloid A () and Chinese bittersweet alkaloid B (), together with five known compounds 3β- hydroxyolean-9(11),12-diene, β-sitosterol, 1β,2β,6α,15β-tetraacetoxy-8β,9α- dibenzoyloxy-β-dihydroagarofuran, angulatin A and angulatin J, were isolated from the root barks of . The structures of and were elucidated as 1β,6α,8β,9β-tetraacetoxy-2β,4α-dihydroxy-15β-isobutanoyloxy-(3,12)-evoninoyloxy-β-dihydroagarofuran and 1β,2β,6α,8β,9β-pentaacetoxy-4α-hydroxy-15β- isobutanoyloxy- (3,12)- evoninoyloxy-β-dihydroagarofuran mainly by NMR spectroscopic means.

A General Method To Increase Stokes Shift by Introducing Alternating Vibronic Structures.

Fluorescent dyes have enabled much progress in the broad range of biomedical fields. However, many commercially available dyes suffer from small Stokes shifts, resulting in poor signal-to-noise ratio and self-quenching on current microscope configurations. In this work, we have developed a general method to significantly increase the Stokes shifts of common fluorophores.

Effect of self-alkalization on nitrite accumulation in a high-rate denitrification system: Performance, microflora and enzymatic activities.

The self-alkalization of denitrifying automatic circulation (DAC) reactor resulted in a large increase of pH up to 9.20 and caused a tremendous accumulation of nitrite up to 451.1 ± 49.

Chemical constituents from stems and leaves of Micromelum integerrimum.

A new benzene derivative microintegerrin C (1) and a new norsesquiterpenoid microintegerrin D (2), along with six known compounds (3-8), were isolated and identified from stems and leaves of Micromelum integerrimum by various chromatographies such as silica gel, Sephadex LH-20, RP-18 column chromatography and HPLC. Their structures were mainly identified based on the spectral data analysis such as 1D-, 2D-NMR and HR-EI-MS. All known compounds were isolated from this plant for the first time.

Two new phenylpropanoids from Micromelum integerrimum.

Aim: To investigate the chemical and bioactive constituents from the stems and leaves of Micromelum integerrimum.

Method: The chemical constituents were isolated and purified by silica gel, Sephadex LH-20, and HPLC. Their structures were mainly elucidated on the basis of extensive 1D- and 2D-NMR spectroscopy and mass spectrometry.

STAT3 inhibitor WP1066 as a novel therapeutic agent for bCCI neuropathic pain rats.

Activation of signal transducer and activator of transcription-3 (STAT3) is suggested to be critically involved in the development of chronic pain, but the complex regulation of STAT3-dependent pathway and the functional significance of inhibiting this pathway during the development of neuropathic pain remain elusive. To evaluate the contribution of the JAK2/STAT3 pathway to neuropathic pain and the potentiality of this pathway as a novel therapeutic target, we examined the effects of the STAT3 inhibitor WP1066 by intrathecal administration in a rat model of bilateral chronic constriction injury (bCCI). The pain behavior tests were performed before the surgery and on postoperative day 3, 7, 14 and 21.

[Treating early-to-middle stage nontraumatic osteonecrosis of femoral head patients by jianpi huogu recipe: a retrospective study].

Objective: To observe the efficacy and features of treating early-to-middle stage nontraumatic osteonecrosis of femoral head (NONFH) patients by Jianpi Huogu Recipe (JHR).

Methods: Using retrospective paired control method, early-to-middle stage NONFH patients treated by JHR and followed-up for 2 years were recruited as the test group (47 cases). Those accepted surgery of core decompression, focus debridement and bone graft were recruited as the control group (48 cases).

Astragalus Polysaccharide Suppresses the Expression of Adhesion Molecules through the Regulation of the p38 MAPK Signaling Pathway in Human Cardiac Microvascular Endothelial Cells after Ischemia-Reperfusion Injury.

Astragalus polysaccharide is a major component of radix astragali, a vital qi-reinforcing herb medicine with favorable immune-regulating effects. In a previous animal experiment, we demonstrated that astragalus polysaccharide effectively alleviates ischemia-reperfusion injury (IRI) of cardiac muscle through the regulation of the inflammatory reactions. However, the relationship between this herb and the cohesion molecules on the cell surface remains controversial.

[Molecular mechanism of AtGA3OX1 and AtGA3OX2 genes affecting secondary wall thickening in stems in Arabidopsis].

Bioactive gibberellins (GAs) are a type of important plant growth regulators, which play the key roles in multiple processes, such as seed germination, leaf expansion, flowering, fruit bearing, and stem development. Its biosynthesis is regulated by a variety of enzymes including gibberellin 3-oxidase that is a key rate-limiting enzyme. In Arabidopsis, gibberellin 3-oxidase consists of four members, of which AtGA3OX1 and AtGA3OX2 are highly expressed in stems, suggesting the potential roles in the stem development played by the two genes.

Effects of huogu I formula (I) on correlated factors of bone regeneration in chickens with steroid-induced necrosis of femoral head.

Objective: To study the mechanism of Huogu I formula (I) in treating osteonecrosis of femoral head.

Methods: Forty-eight healthy female Leghorn chickens were randomly divided into control group, model group and Huogu I group, and each group consisted of 16 chickens. At the meantime of model establishment, chickens of the Huogu I group were administrated with decoction, while the model and control group with distilled water by gavage.

Halomonas gudaonensis sp. nov., isolated from a saline soil contaminated by crude oil.

Two moderately halophilic strains, SL014B-69(T) and SL014B-62A2, were isolated from a saline soil contaminated with crude oil in Gudao in the coastal Shengli oilfield in China; the isolates were Gram-negative, rod-shaped and carried lateral flagella. Growth occurred at NaCl concentrations of 1-20 % (w/v), at temperatures of 10-42 degrees C and at pH 8.0-9.