Polarizability and aromaticity index govern AhR-mediated potencies of PAHs: A QSAR with consideration of freely dissolved concentrations.

Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous environmental pollutants associated with adverse human effects including cancer, and the aryl hydrocarbon receptor (AhR) is a key ligand-activated transcription factor mediating their toxicity. However, there is presently a lack of data on AhR potencies of PAHs. Simple, transparent, interpretable and predictive quantitative structure-activity relationship (QSAR) models are helpful, especially with the consideration of freely dissolved concentrations linked to bioavailability.

Autoxidation mechanism for atmospheric oxidation of tertiary amines: Implications for secondary organic aerosol formation.

Tertiary amines are one kind of identified amines in the atmosphere. Here, the atmospheric oxidation mechanism and kinetics of tertiary amines were investigated by using computational methods. As proxies of these amines, trimethylamine (TMA) and triethylamine (TEA) have been selected.

Construction and Validation of a Cell Cycle-Related Robust Prognostic Signature in Colon Cancer.

Colon cancer is one of the most common cancers, great progress was taken place in the treatment of colon cancer, however, the prognostic assessment system remains lagging. Cell cycle plays a vital role in the whole procedure of cancers. In this study, we firstly identified cell cycle-related genes specific in colon cancer.

Preoperative Hepatic and Regional Arterial Chemotherapy in Patients Who Underwent Curative Colorectal Cancer Resection: A Prospective, Multi-center, Randomized Controlled Trial.

Objective: To evaluate the effects of the addition of preoperative hepatic and regional arterial chemotherapy (PHRAC) on prognosis of stage II and III colorectal cancer (CRC) in a multicenter setting.

Summary Of Background Data: Our previous single-center pilot trial suggested that PHRAC in combination with surgical resection could reduce the occurrence of liver metastasis (LM) and improve survival in CRC patients.

Methods: A prospective multi-center randomized controlled trial was conducted from December 2008 to December 2012 at 5 hospitals in China.

Photochemistry of dissolved organic matter extracted from coastal seawater: Excited triplet-states and contents of phenolic moieties.

Coastal seawater constitutes an important ecosystem receiving inputs of organic micropollutants (OMPs) such as sulfa antibiotics from land-based sources or mariculture activities. It is necessary to investigate photodegradation of OMPs in coastal seawaters for assessing their environmental fate and risks. However, effects of coastal seawater dissolved organic matter (S-DOM) on OMPs photodegradation are largely unknown, given that chemical compositions of S-DOM are different from those of freshwater DOM.

Occurrence and Health Risks of Organic Micro-Pollutants and Metals in Groundwater of Chinese Rural Areas.

Background: Groundwater is a main drinking-water source for Chinese rural residents. The overall pollution status of organic micropollutants (OMPs) and metals in the groundwater and corresponding health risks are unknown.

Objectives: Our objective was to comprehensively screen for and assess the health risks of OMPs and metals in groundwater of rural areas in China where groundwater is used for drinking so as to provide a benchmark for monitoring and improving groundwater quality in future developments.

Impact of Lead Exposure on Thyroid Status and IQ Performance among School-age Children Living Nearby a Lead-Zinc Mine in China.

Background: Lead exposure is one of the most concerning public health problems worldwide, particularly among children. Yet the impact of chronic lead exposure on the thyroid status and related intelligence quotient performance among school-age children remained elusive.

Objective: The aim of this study was to evaluate the influence of lead exposure on the thyroid hormones, amino acid neurotransmitters balances, and intelligence quotient (IQ) among school-age children living nearby a lead-zinc mining site.

Organophosphate esters (OPEs) in wetland soil and Suaeda salsa from intertidal Laizhou Bay, North China: Levels, distribution, and soil-plant transfer model.

Wetlands have attracted much attention due to releases of organophosphate esters (OPEs) and other emerging contaminants into this particular environment. Here, Suaeda salsa plants and wetland soils collected from Laizhou Bay, North China, were analyzed to investigate the levels, distribution, and soil-plant transfer of OPEs in these ecosystems. The ΣOPEs concentrations ranged from 137 to 386 ng/g dry weight (dw), whereas in rhizosphere the concentrations were between 99.

Structural Effects of Amines in Enhancing Methanesulfonic Acid-Driven New Particle Formation.

Atmospheric amines can enhance methanesulfonic acid (MSA)-driven new particle formation (NPF), but the mechanism is fundamentally different compared to that of the extensively studied sulfuric acid (SA)-driven process. Generally, the enhancing potentials of amines in SA-driven NPF follow the basicity, while this is not the case for MSA-driven NPF, where structural effects dominate, making MSA-driven NPF more prominent for methylamine (MA) compared to dimethylamine (DMA). Therefore, probing structural factors determining the enhancing potentials of amines on MSA-driven NPF is key to fully understanding the contribution of MSA to NPF.

Bioaccumulation, Biotransformation, and Multicompartmental Toxicokinetic Model of Antibiotics in Sea Cucumber ().

Extensive application of antibiotics leads to their ubiquitous occurrence in coastal aquatic environments. However, it remains largely unknown whether antibiotics can be bioaccumulated and biotransformed in major mariculture organisms such as sea cucumbers and toxicokinetic models for Echinodermata are lacking. In this study, laboratory exposure experiments on juvenile sea cucumber () were performed for seven antibiotics (sulfadiazine, sulfamethoxazole, trimethoprim, enrofloxacin, ofloxacin, clarithromycin, and azithromycin).

Functionalized nanoparticles with targeted antibody to enhance imaging of breast cancer in vivo.

Background: Targeted contrast nanoparticles for breast tumor imaging facilitates early detection and improves treatment efficacy of breast cancer. This manuscript reports the development of an epidermal growth factor receptor-2 (HER-2) specific, bi-modal, dendrimer conjugate to enhance computed tomography (CT) and magnetic resonance imaging (MRI) of HER-2-positive breast cancer. This material employs generation 5 poly(amidoamine) dendrimers, encapsulated gold nanoparticles, chelated gadolinium, and anti-human HER-2 antibody to produce the nanoparticle contrast agent.

Screening of 484 trace organic contaminants in coastal waters around the Liaodong Peninsula, China: Occurrence, distribution, and ecological risk.

Human activities such as agriculture, aquaculture, and industry can lead to the pollution of coastal waters by trace organic contaminants (TrOCs), and the TrOCs can pose a threat to marine ecosystems. Therefore, it is essential to investigate the occurrence, distribution, and ecological risk of the TrOCs in coastal waters. Previous studies adopting conventional analytical methods have focused on a limited number of targets.

Simulated sunlight-induced inactivation of tetracycline resistant bacteria and effects of dissolved organic matter.

The transmission of antibiotic resistance in surface water has attracted much attention due to its increasing threat to human health. The role of sunlight irradiation and the effect of dissolved organic matter (DOM) on the transmission of antibiotic resistance are still unclear. In this study, photo-inactivation of antibiotic resistant bacteria (ARB) was investigated using antibiotic resistant E.

In situ measurement of synthetic musks in wastewaters using diffusive gradients in thin film technique.

Synthetic musks (SMs) are used extensively in household and personal care products and have acted significant concerns due to their environmental impacts and potential health effects. Here, we present a passive sampling approach based on diffusive gradients in thin films (DGT) for in situ measurement of SMs in urban wastewaters. XAD-2 binding gel, which has a rapid binding rate and high elution efficiency, was used in DGT device for the accumulation of six polycyclic musks and three nitro musks.

Pet hair as a potential sentinel of human exposure: Investigating partitioning and exposures from OPEs and PAHs in indoor dust, air, and pet hair from China.

We investigated the levels, compositions, and partitioning behaviors of organophosphate esters (OPEs) and polycyclic aromatic hydrocarbons (PAHs) in indoor air, dust, and pet hair from North China, as well as their potential exposures for humans and pets. The mean OPE concentrations in the indoor air (n = 19), dust (n = 26), and pet hair (n = 29) samples were 52.1 ng/m, 3510 ng/g, and 1440 ng/g; while the mean PAH concentrations were 369 ng/m, 6000 ng/g, and 22.

Quantitative Structure-Activity Relationship Models for Predicting Inflammatory Potential of Metal Oxide Nanoparticles.

Background: Although substantial concerns about the inflammatory effects of engineered nanomaterial (ENM) have been raised, experimentally assessing toxicity of various ENMs is challenging and time-consuming. Alternatively, quantitative structure-activity relationship (QSAR) models have been employed to assess nanosafety. However, no previous attempt has been made to predict the inflammatory potential of ENMs.

Formation Mechanisms of Iodine-Ammonia Clusters in Polluted Coastal Areas Unveiled by Thermodynamics and Kinetic Simulations.

It has been revealed that iodine species play important roles in atmospheric new particle formations (NPFs) in pristine coastal areas. However, it is unclear whether other atmospheric species, such as NH, for which the levels in coastal areas of China are >2.5 × 10 molecules·cm are involved in the NPFs of iodine species, although NH has been proved to promote particle formation of HSO.

A Simple Strategy to Fabricate Phthalocyanine-Encapsulated Nanodots for Magnetic Resonance Imaging and Antitumor Phototherapy.

Photothermal agents can transfer the absorbed light to heat energy, offering a noninvasive and controllable method to kill tumor cells and tissues. Here, we develop a simple and high-output strategy to prepare photothermal nanodots (MnPc-NDs) by the self-assembly and carbonization of manganese phthalocyanine. The aggregation of phthalocyanine molecules in the nanodots induces an efficient photothermal conversion.

A novel patient-derived organoids-based xenografts model for preclinical drug response testing in patients with colorectal liver metastases.

Backgrounds: Cancer-related mortality in patients with colorectal cancer (CRC) is predominantly caused by development of colorectal liver metastases (CLMs). How to screen the sensitive chemotherapy and targeted therapy is the key element to improve the prognosis of CLMs patients. The study aims to develop patient-derived organoids-based xenografted liver metastases (PDOX-LM) model of CRC, to recapitulate the clinical drug response.

Occurrence and air-soil exchange of organophosphate flame retardants in the air and soil of Dalian, China.

We investigated the concentrations, distributions, potential sources, and air-soil exchange of 10 OPFRs in the air and soil of Dalian. The concentrations of ΣOPFRs in the soil were in the range of 1.07-288 ng/g (mean: 14.

Discriminant models on mitochondrial toxicity improved by consensus modeling and resolving imbalance in training.

Humans and animals may be exposed to tens of thousands of natural and synthetic chemicals during their lifespan. It is difficult to assess risk for all the chemicals with experimental toxicity tests. An alternative approach is to use computational toxicology methods such as quantitative structure-activity relationship (QSAR) modeling.

Comparing a global high-resolution downscaled fossil fuel CO emission dataset to local inventory-based estimates over 14 global cities.

Background: Compilation of emission inventories (EIs) for cities is a whole new challenge to assess the subnational climate mitigation effort under the Paris Climate Agreement. Some cities have started compiling EIs, often following a global community protocol. However, EIs are often difficult to systematically examine because of the ways they were compiled (data collection and emission calculation) and reported (sector definition and direct vs consumption).

Formation of Low-Volatile Products and Unexpected High Formaldehyde Yield from the Atmospheric Oxidation of Methylsiloxanes.

With stricter regulation of atmospheric volatile organic compounds (VOCs) originating from fossil fuel-based vehicles and industries, the use of volatile chemical products (VCPs) and the transformation mechanism of VCPs have become increasingly important to quantify air quality. Volatile methylsiloxanes (VMS) are an important class of VCPs and high-production chemicals. Using quantum chemical calculations and kinetics modeling, we investigated the reaction mechanism of peroxy radicals of VMS, which are key intermediates in determining the atmospheric chemistry of VMS.

Facile Fabrication of Hierarchical MOF-Metal Nanoparticle Tandem Catalysts for the Synthesis of Bioactive Molecules.

Multifunctional metal-organic frameworks (MOFs) that possess permanent porosity are promising catalysts in organic transformation. Herein, we report the construction of a hierarchical MOF functionalized with basic aliphatic amine groups and polyvinylpyrrolidone-capped platinum nanoparticles (Pt NPs). The postsynthetic covalent modification of organic ligands increases basic site density in the MOF and simultaneously introduces mesopores to create a hierarchically porous structure.