Hydrated Magnesium Ion-Uracil and Magnesium Chloride-Uracil Clusters Revealed by Ab Initio Study.

The study focuses on the interaction between canonical uracil and its rare tautomers with Mg and MgCl in the microcosmic water environment and aims to elucidate how ions interact with nucleobase and the cation-anion correlation effect involved using density functional theory calculations. The structures of the Ura-Mg(HO) and Ura-MgCl(HO) clusters are characterized and show that the water molecules preferentially interact with Mg/MgCl, and Mg adopts a hexacoordination pattern in both Ura-Mg(HO) and Ura-MgCl(HO) clusters. When uracil interacts with Mg in (HO) environments, it tends to favor the formation of keto-enol structures.

N-acetylcysteine ameliorates erectile dysfunction in rats with hyperlipidemia by inhibiting oxidative stress and corpus cavernosum smooth muscle cells phenotypic modulation.

Hyperlipidemia is a major risk factor for erectile dysfunction (ED). Oxidative stress and phenotypic modulation of corpus cavernosum smooth muscle cells (CCSMCs) are the key pathological factors of ED. N-acetylcysteine (NAC) can inhibit oxidative stress; however, whether NAC can alleviate pathological variations in the corpus cavernosum and promote erectile function recovery in hyperlipidemic rats remains unclear.

Interaction of glycine with Li in the (HO) (n = 0-8) clusters.

Context: We investigated the interaction between glycine and Li in water environment based on the Gly·Li(HO) (n = 0-8) cluster. Our study shows that for Gly·Li, Li binds to both carbonyl oxygen and amino nitrogen to form a bidentate structure, and the first three water molecules preferentially interact with Li. For n = 0-5, the complexes of Gly·Li(HO) exist in neutral form, and when the water number reached 6, the complex can coexist in neutral and zwitterionic form, then zwitterionic structures are dominant for n = 7, 8.

Interaction of Cysteine with Li and LiF in the Presence of (HO) ( = 0-6) Clusters.

The interaction between cysteine with Li and LiF in the microcosmic water environment was investigated to elucidate how ions interact with amino acids and the cation-anion correlation effect involved. The structures of Cys·Li(HO) and Cys·LiF(HO) ( = 0-6) were characterized using ab initio calculations. Our studies show that the water preferentially interacts with Li/LiF.

Ab initio study of hydrated cesium iodide dimer (CsI)(HO and the cation size effect on (MI)(HO) (M = Li, Na, K, Cs).

The structures of microsolvated (CsI)(HO) clusters were determined using ab initio calculations. Our studies show that one Cs atom at the apex was firstly separated from the pyramid-shaped (CsI) unit when the water number reaches 3, whereas CsI distances did not increase significantly from n = 0 to 6 for neutrals. Additionally, the atomic charge and reduced density gradient analyses were carried out; the results reveal that the extra electrons are almost entirely localized on terminal Cs atom and the Cs-water interactions dominate in (CsI)(HO).

Characteristics of rifampicin-resistant tuberculosis detection in China, 2015-2019.

Background: The very high burden of rifampicin resistance tuberculosis (RR-TB) and the very low detection of RR-TB cases are a major challenge that China has been facing. This study analyzed the characteristics of RR-TB detection in China after the change of RR-TB detection strategy since 2015, aiming to provide reference and evidence for the development of more precise national drug resistance tuberculosis prevention and control policy.

Methods: We extracted data related to rifampicin resistance screening from the national Tuberculosis Information Management System (TBIMS) from 2015 to 2019, and used descriptive research methods to analyze the screening rate of presumptive RR-TB, the number and duration of RR-TB patients detected and drug resistance testing methods in each year.

Photoelectron spectroscopy of [MoX] dianions (X = Cl-I).

Photoelectron spectroscopy and theoretical investigations have been performed to systematically probe the intrinsic electronic properties of [MoX] (X = halogen). All three PE spectra of gaseous [MoX] (X = Cl, Br, I) dianions, which were generated by electrospray ionization, exhibit multiple resolved peaks in the recorded binding energy range. Theoretical investigations on the orbital structure and charge distribution were performed to support interpretation of the observed spectra and were further extended onto [MoF], a dianion that was not available for the experimental study.

Phosphoribosyl-pyrophosphate synthetase 2 (PRPS2) depletion regulates spermatogenic cell apoptosis and is correlated with hypospermatogenesis.

Phosphoribosyl-pyrophosphate synthetase 2 (PRPS2) is a rate-limiting enzyme and plays an important role in purine and pyrimidine nucleotide synthesis. Recent studies report that PRPS2 is involved in male infertility. However, the role of PRPS2 in hypospermatogenesis is unknown.

Photoelectron spectroscopy of solvated dicarboxylate and alkali metal ion clusters, M[OC(CH)CO] [HO] (M = Na, K; n = 1-6).

We present results of combined experimental photoelectron spectroscopy and theoretical modeling studies of solvated dicarboxylate species (-O2C(CH2)2CO2-) in complex with Na+ and K+ metal cations. These ternary clusters serve as simple models for the investigation of aqueous ion/solute specific effects that play an important role in biological systems. The experimental characterization of these systems was performed in the presence of up to six solvating waters.

Downregulation of lncRNA PVT1 expression inhibits proliferation and migration by regulating p38 expression in prostate cancer.

Long non-coding RNA (lncRNA) plasmacytoma variant translocation 1 (PVT1) has been reported to be overexpressed in prostate cancer cells and associated with tumorigenesis in various types of cancer. However, the biological function of lncRNA PVT1 remains largely unknown. The aim of the present study was to investigate the effect of lncRNA PVT1 expression on the proliferation and migration of prostate cancer cells.

Emergence of Solvent-Separated Na-Cl Ion Pair in Salt Water: Photoelectron Spectroscopy and Theoretical Calculations.

Solvation of salts in water is a fundamental physical chemical process, but the underlying mechanism remains unclear. We investigated the contact ion pair (CIP) to solvent-separated ion pair (SSIP) transition in NaCl(HO) clusters with anion photoelectron spectroscopy and ab initio calculations. It is found that the SSIP type of structures show up at n = 2 for NaCl(HO) anions.

Hydration of potassium iodide dimer studied by photoelectron spectroscopy and ab initio calculations.

We measured the photoelectron spectra of (KI)(HO) (n = 0-3) and conducted ab initio calculations on (KI)(HO) anions and their corresponding neutrals up to n = 6. Two types of spectral features are observed in the experimental spectra of (KI)(HO) and (KI)(HO), indicating that two types of isomers coexist, in which the high EBE feature corresponds to the hydrated chain-like (KI) while the low EBE feature corresponds to the hydrated pyramidal (KI). In (KI)(HO), the (KI) unit prefers a pyramidal configuration, and one of the K-I distances is elongated significantly, thus a K atom is firstly separated out from the (KI) unit.

Initial hydration behavior of sodium iodide dimer: photoelectron spectroscopy and ab initio calculations.

We investigated (NaI)2(-)(H2O)n (n = 0-6) clusters to examine the initial solvation process of (NaI)2 in water, using negative ion photoelectron spectroscopy and theoretical calculations. The structures of these clusters and their neutrals were determined by comparing ab initio calculations with experimental results. It is found that bare (NaI)2(-) is a L-shaped structure and the corresponding neutral is a rhombus.

[Climate suitability for tea growing in Zhejiang Province].

It is important to quantitatively assess the climate suitability of tea and its response to climate change. Based on meteorological indices of tea growth and daily meteorological data from 1971 to 2010 in Zhejiang Province, three climate suitability models for single climate factors, including temperature, precipitation and sunshine, were established at a 10-day scale by using the fuzzy mathematics method, and a comprehensive climate suitability model was established with the geometric average method. The results indicated that the climate suitability was high in the tea growth season in Zhejiang Province, and the three kinds of climate suitability were all higher than 0.

Interaction of TiO2(-) with water: photoelectron spectroscopy and density functional calculations.

The interactions of titania with water molecules were studied via photoelectron spectroscopy and density functional calculations of TiO(OH)2(-) and Ti(OH)4(H2O)n(-) (n = 0-5) clusters which are corresponding to the TiO2(H2O)(-) and TiO2(H2O)n+2(-) (n = 0-5) systems, respectively. Experimental observation and theoretical calculations confirmed that TiO(OH)2(-) was produced when TiO2(-) interacts with one water molecule, and Ti(OH)4(H2O)n(-) (n = 0-5) were produced successively when TiO2(-) interacts with two or more water molecules. The structures of Ti(OH)4(H2O)n(-) with n = 4, 5 are slightly different from those of n = 1-3.

Microsolvation of LiI and CsI in water: anion photoelectron spectroscopy and ab initio calculations.

In order to understand the microsolvation of LiI and CsI in water and provide information about the dependence of solvation processes on different ions, we investigated the LiI(H2O)n(-) and CsI(H2O)n(-) (n = 0-6) clusters using photoelectron spectroscopy. The structures of these clusters and their corresponding neutrals were investigated with ab initio calculations and confirmed by comparing with the photoelectron spectroscopy experiments. Our studies show that the structural evolutions of LiI(H2O)n and CsI(H2O)n clusters are very different.

[The study on Delphi filtering the indicators of evaluation on the diagnosis, treatment and management of MDR-TB].

Objective: To filter the indicators of evaluation on the diagnosis, treatment and management of MDR-TB through Delphi.

Methods: Three rounds Delphi was implemented by asking for the 30 experts'score and suggestion of 60 evaluation indicators. The experts were selected from experienced MDR-TB workers.

Hydrogen bonds in the nucleobase-gold complexes: photoelectron spectroscopy and density functional calculations.

The nucleobase-gold complexes were studied with anion photoelectron spectroscopy and density functional calculations. The vertical detachment energies of uracil-Au(-), thymine-Au(-), cytosine-Au(-), adenine-Au(-), and guanine-Au(-) were estimated to be 3.37 ± 0.

Interaction of Co(m)O(-) (m = 1-3) with water: anion photoelectron spectroscopy and density functional calculations.

We investigated the reactions between cobalt-oxides and water molecules using photoelectron spectroscopy and density functional calculations. It has been confirmed by both experimental observation and theoretical calculations that dihydroxide anions, Co(m)(OH)(2)(-) (m = 1-3), were formed when Co(m)O(-) clusters interact with the first water molecule. Addition of more water molecules produced solvated dihydroxide anions, Co(m)(OH)(2)(H(2)O)(n)(-) (m = 1-3).

[Mental health assessment among scattered residents after Wenchuan earthquake in Anxian, Sichuan province].

Objective: To explore the mental health status of residents scattered living in Anxian after Wenchuan earthquake so as to provide scientific basis for further mental health intervention.

Methods: A face to face interview was conducted among the scattered residents with designed questionnaire, which had three parts of the physical and emotional reaction, the relax methods and the social care and supports expected. Two-stage probability proportional to size (PPS) sample method was performed to sample 2184 from 0.

[Public health situation and needs assessment after Wenchuan earthquake in Anxian, Sichuan province].

Objective: To explore the public health situation and needs in Anxian after Wenchuan earthquake so as to make an effective strategy for disease control and prevention.

Methods: 69 concentrated settlements with 100 residents were investigated. Probability proportion to size was adopted for sampling of 2200 residents from 687 scattered households (about 440 000 scattered residents).