Synergistic Effects of Caffeoylquinic Acid Compounds with Levofloxacin Against Uropathogenic : Insights from Molecular Dynamics Simulations, Antibiofilm, and Antimicrobial Assessments.

Urinary tract infections (UTIs), primarily caused by uropathogenic (UPEC), have high morbidity and recurrence rates. Resistance to levofloxacin hydrochloride (LEV), a commonly used treatment for UTIs, is increasingly problematic, exacerbated by biofilm formation mediated by interactions between cyclic di-GMP (c-di-GMP or CDG) and YcgR. In this study, we identified three caffeoylquinic acid compounds from -chlorogenic acid (CGA), sibiricose A5 (Si-A5), and 3--caffeoylquinic acid methyl ester (CAM)-that target YcgR through molecular docking.

Floral morph variation mediated by clonal growth and pollinator functional groups of in a heterostylous fragmented population.

. Heterostyly, a genetic style polymorphism, is linked to symmetric pollen transfer, vital for its maintenance. Clonal growth typically impacts sexual reproduction by influencing pollen transfer.

Asymmetrical disassortative pollination mediated by long-/short-tongued pollinators in a distylous (Plumbaginaceae) with a short corolla tubular small flower.

In heterostylous plants, short-tongued pollinators are often ineffective/inefficient owing to the limitations imposed by a long corolla tube. However, it is unclear how disassortative pollen transfer is achieved in small flowers. We investigated the pollination pattern and floral morph variation by analyzing heterostylous syndrome, pollinator groups, and pollen deposition after a single visitation in two populations with short-corolla-tubular small flowers.

Synergistic inhibition mechanism of quinazolinone and piperacillin on penicillin-binding protein 2a: a promising approach for combating methicillin-resistant .

The production of penicillin-binding protein 2a (PBP2a), a cell wall synthesis protein, is primarily responsible for the high-level resistance observed in methicillin-resistant (MRSA). PBP2a exhibits a significantly reduced affinity for most β-lactam antibiotics owing to its tightly closed active site. Quinazolinones (QNE), a novel class of non-β-lactam antibiotics, could initiate the allosteric regulation of PBP2a, resulting in the opening of the initially closed active pocket.

Unraveling the atomic mechanisms underlying glyphosate insensitivity in EPSPS: implications of distal mutations.

5-enolpyruvyl shikimate-3-phosphate synthase (EPSPS), as an indispensable enzyme in the shikimate pathway, is the specific target of grasser killer glyphosate (GPJ). GPJ is a competitive inhibitor of phosphoenolpyruvate (PEP), which is the natural substrate of EPSPS. A novel gene variant discovered from , named , includes five distal mutations, E112V, D142N, T351S, D425G, and R496G, endowing high GPJ insensitivity.

Effects of adding milk to fermented black mulberry ( L) juice on its antioxidant activity in C2C12 cells and changes in volatile flavor compounds during storage.

This study assessed the impact of milk on the bioactive compounds, physicochemical properties, antioxidant activity, ROS inhibition, and volatile flavor compounds of fermented black mulberry juice (FBMJ). Firstly, the results showed that 25% concentration of milk was the most suitable for preparing FBMJ-Milk. Compared to the control group, the addition of milk significantly increased the SOD activity and antioxidant capacity, as well as enhanced the total phenolic content (TPC) and SOD storage stability.

Unraveling the mechanism of ceftaroline-induced allosteric regulation in penicillin-binding protein 2a: insights for novel antibiotic development against methicillin-resistant .

Methicillin-resistant (MRSA) acquires high-level resistance against β-lactam antibiotics by expressing penicillin-binding protein 2a (PBP2a). PBP2a is a cell wall-synthesizing protein whose closed active site exhibits a reduced binding affinity toward β-lactam antibiotics. Ceftaroline (CFT), a fifth-generation cephalosporin, can effectively inhibit the PBP2a activity by binding to an allosteric site to trigger the active site opening, allowing a second CFT to access the active site.

Molecular Dynamics Simulation of Transport Mechanism of Graphene Quantum Dots through Different Cell Membranes.

Exploring the mechanisms underlying the permeation of graphene quantum dots (GQDs) through different cell membranes is key for the practical application of GQDs in medicine. Here, the permeation process of GQDs through different lipid membranes was evaluated using molecular dynamics (MD) simulations. Our results showed that GQDs can easily permeate into 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) and 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE) lipid membranes with low phospholipid molecule densities but cannot permeate into 1-palmitoyl-2-oleoyl phosphatidylethanolamine (POPE) lipid membranes with high phospholipid densities.

Theoretical Investigation of Switch Effect on the Efficiency and Adaptivity of Molecular Optoelectronic Conversion Devices.

Molecular photoswitch can effectively regulate charge separation (CS) and charge recombination (CR) in donor-acceptor (D-A) systems. However, deformation of the donor-switch-acceptor (D-S-A) systems caused by the switch isomerization will destroy the geometrical stability of the battery. Here we take the planar platinum(II) terpyridyl complex of [Pt( Bu tpy)(-C≡C-Ph) ] as the typical D-A model, designed six D-S-A systems using different photoswitches (dimethyldihydropyrene, fulgimide, arylazopyrazole, N-salicylideneaniline, spiropyran, and dithienylethene, denoted as D-S-A 1-6 hereafter).

Designing Self-Adaptive Donor-Switch-Acceptor Systems for Molecular Opto-Electronic Conversion Based on Dimethyldihydropyrene/Cyclophanediene.

The introduction of a self-adaptive molecular switch is an appealing strategy to achieve complete charge separation (CS) in donor-acceptor (D-A) systems. Here, we designed donor-switch-acceptor (D-S-A) systems using a platinum(II) terpyridyl complex as the acceptor, dimethyldihydropyrene/cyclophanediene (DHP/CPD) as the bridge, and methoxybenzene, thieno[3,2-b]thiophene, 2,2'-bifuran, and 4,8-dimethoxybenzo[1,2-b:4,5-b']difuran as donors, respectively. We then systematically studied the whole opto-electronic conversion process of the donor-DHP/CPD-acceptor (D-DHP/CPD-A) systems based on time-dependent density functional theory, time-dependent ultrafast electron evolution, and electron transport property calculations.

Functional vulnerability of liver macrophages to capsules defines virulence of blood-borne bacteria.

Many encapsulated bacteria use capsules to cause invasive diseases. However, it remains largely unknown how the capsules enhance bacterial virulence under in vivo infection conditions. Here we show that the capsules primarily target the liver to enhance bacterial survival at the onset of blood-borne infections.

Study on the Efficacy and Safety of Ambroxol Combined with Methylprednisolone in Patients with Acute Lung Injury.

Background: There is no better treatment method towards paraquat-induced acute lung injury (ALI) at present. Ambroxol combined with methylprednisolone exhibits a significant improvement effect on ALI treatment, whereas their mechanism in ALI is still unclear.

Methods: 64 patients with ALI caused by paraquat poisoning brought to our hospital from January 2015 to January 2018 were selected.

Corrigendum: Identification of Novel Laminin- and Fibronectin-Binding Proteins by Far-Western Blot: Capturing the Adhesins of Type 2.

[This corrects the article DOI: 10.3389/fcimb.2015.

Theoretical Evaluation of DNA Genotoxicity of Graphene Quantum Dots: A Combination of Density Functional Theory and Molecular Dynamics Simulations.

Owing to their unique morphology, ultrasmall lateral sizes, and exceptional properties, graphene quantum dots (GQDs) hold great potential in many applications, especially in the fields of electrochemical biosensors, bioimaging, drug delivery, gene delivery, etc. Their biosafety and potential genotoxicity to human and animal cells have been a growing concern in recent years. Especially, the potential DNA damage caused by GQDs is very crucial but still unclear.

RACK7 recognizes H3.3G34R mutation to suppress expression of MHC class II complex components and their delivery pathway in pediatric glioblastoma.

Histone H3 point mutations have been identified in incurable pediatric brain cancers, but the mechanisms through which these mutations drive tumorigenesis are incompletely understood. Here, we provide evidence that RACK7 (ZMYND8) recognizes the histone H3.3 patient mutation (H3.

[Effect of sonication on results of ChIP-seq experiments involving PRC2 related proteins].

Sonication is one of the essential strategies of chromatin fragmentation in Chromatin immunoprecipitation (ChIP) assay. The impact of proteins with different molecular weights generated under different duration of sonication on the results of Chromatin immunoprecipitation sequencing (ChIP-seq) experiments involving the Polycomb Repressive Complex 2 (PRC2) related protein EZH2, which is a histone methyltransferase, and its product H3K27me3 was investigated. The results indicate that in the promoter region or nonpromoter region, there were hardly any differences among the H3K27me3 peaks annotated genes from different duration of sonication, which suggesting that the duration of sonication had little effect on histone ChIP-seq results.

[Analysis of pressure-time and flow-time curve in ventilator].

Objective: To better understand the significance of the pressure-time curve and flow-time curve from the perspective of PB840 ventilator working principle.

Methods: (1) Mechanical principle: flow supply valves (air valve and oxygen valve) and exhalation valve in PB840 ventilator were controlled to achieve the ventilation target (volume or pressure) by the central processing unit according to the monitoring data from pressure sensors (P at the supply side, P at the exhalation side) and flow sensors (Q at the air side, Q at the oxygen side, Q at the exhalation side). (2) The essence of curve: each point means a value of pressure or flow at a certain time measured by the sensors or calculated by the system.

Cost-effectiveness of a primary care multidisciplinary Risk Assessment and Management Program for patients with diabetes mellitus (RAMP-DM) over lifetime.

Purpose: The multidisciplinary Risk Assessment and Management Program for patients with diabetes mellitus (RAMP-DM) was found to be cost-saving in comparison with usual primary care over 5 years' follow-up. This study aimed to estimate the cost-effectiveness of RAMP-DM over lifetime.

Methods: We built a Discrete Event Simulation model to evaluate the cost-effectiveness of RAMP-DM over lifespan from public health service provider's perspective.

Zc3h13 Regulates Nuclear RNA mA Methylation and Mouse Embryonic Stem Cell Self-Renewal.

N-methyladenosine (mA) is an abundant modification in eukaryotic mRNA, regulating mRNA dynamics by influencing mRNA stability, splicing, export, and translation. However, the precise mA regulating machinery still remains incompletely understood. Here we demonstrate that ZC3H13, a zinc-finger protein, plays an important role in modulating RNA mA methylation in the nucleus.

Direct medical costs of diabetes mellitus in the year of mortality and year preceding the year of mortality.

Aim: To report the health resource use and estimate the direct medical costs among patients with diabetes mellitus (DM) in the year of mortality and the year preceding the year of mortality.

Materials And Methods: We analysed data from a population-based, retrospective cohort study including all adults with a DM diagnosis in Hong Kong between 2009 and 2013, and who died between January 1, 2010 and December 31, 2013. The annual direct medical costs in the year of mortality and the year preceding the year of mortality were determined by summing the costs of health services utilized within the respective year.

Observation of Pneumococcal Phase Variation in Colony Morphology.

(pneumococcus) is an important human pathogen that causes pneumonia, meningitis, sepsis, and otitis media. This bacterium normally resides in the nasopharynx as a commensal, but sometimes disseminates to sterile sites of humans and causes local or systemic inflammation. This biphasic behavior of is correlated with a reversible switch between the opaque and transparent colony forms on agar plates, a phenomenon referred to as phase variation.

Health-related quality of life and health preference of Chinese patients with diabetes mellitus managed in primary care and secondary care setting: decrements associated with individual complication and number of complications.

Background: Health-related quality of life (HRQoL) and health preference of patients with diabetes mellitus (DM) are essential in health economic evaluations but data on Chinese population is rare. This study aims to evaluate HRQoL and health preference of diabetic patients with different diabetic complications in Chinese population.

Methods: A cross-sectional study was conducted in 1275 patients with DM, including 518 subjects with various DM-related complications.

Molecular characterization of porcine circovirus-like virus P1 in eastern China.

A large-scale epidemiological study of porcine circovirus-like virus P1 was carried out from 2007 to 2015 in China, which revealed a high level of P1 infection. Thirty-nine sequences obtained from pigs in eastern China showed remarkable genetic diversity, with the P1 predominant sequences and the mutant P1 with ORF1 or ORF2 containing an additional amino-acid extension at the C-terminus. This information may be useful for understanding the evolution of P1 circovirus-like virus.

Genome sequence of a porcine circovirus-like virus P1 mutant in China.

A new porcine circovirus-like virus P1 mutant was isolated and sequenced in China in 2015. This P1 mutant has a mutation in its ORF1-encoded capsid protein that results in its elongation by eight amino acids.

Cost-Effectiveness of a Short Message Service Intervention to Prevent Type 2 Diabetes from Impaired Glucose Tolerance.

Aims. To investigate the costs and cost-effectiveness of a short message service (SMS) intervention to prevent the onset of type 2 diabetes mellitus (T2DM) in subjects with impaired glucose tolerance (IGT). Methods.