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2-Phenoxyethanol (PhE) is an amphiphilic organic compound frequently used as a broad-spectrum preservative in cosmetic products and other consumer goods. PhE is also used as a biocidal component in occupational settings. A previous volunteer study by our working group following oral exposure to PhE showed that PhE is almost completely taken up into the human body followed by an extensive metabolization and fast urinary elimination. However, with respect to the importance of transdermal uptake, we now conducted another volunteer study applying dermal PhE exposure: five volunteers were dermally exposed with 0.4 mg/kg body weight of PhE each on a specified 800 cm 2 skin area using non-occlusive conditions. Subsequently, blood and urine samples were collected up to 48 h post-exposure. The present study illustrates the fast transdermal uptake of PhE. Following systemic resorption, PhE was extensively metabolized and rapidly eliminated in urine mainly in form of the metabolites PhAA (phenoxyacetic acid) and 4-OH-PhAA (4-hydroxyphenoxyacetic acid) accounting together for over 99% of the renally excreted PhE dose. The absolute urinary recovery rate of PhE was observed to be significantly lower following dermal exposure compared to oral uptake indicating a dermal resorption rate of PhE of about 45% in humans. The present study provides for the first time detailed insights into human biotransformation and toxicokinetics of PhE after dermal exposure, thus establishing a reliable strategy for human biomonitoring of PhE. The here presented results may thus be useful for further toxicokinetic modeling and forward dosimetry.

Plastics, including poly(ethylene terephthalate) (PET), possess many desirable characteristics and thus are widely used in daily life. However, non-biodegradability, once thought to be an advantage offered by plastics, is causing major environmental problem. Recently, a PET-degrading bacterium, Ideonella sakaiensis , was identified and suggested for possible use in degradation and/or recycling of PET. However, the molecular mechanism of PET degradation is not known. Here we report the crystal structure of I. sakaiensis PETase ( Is PETase) at 1.5 Å resolution. Is PETase has a Ser–His-Asp catalytic triad at its active site and contains an optimal substrate binding site to accommodate four monohydroxyethyl terephthalate (MHET) moieties of PET. Based on structural and site-directed mutagenesis experiments, the detailed process of PET degradation into MHET, terephthalic acid, and ethylene glycol is suggested. Moreover, other PETase candidates potentially having high PET-degrading activities are suggested based on phylogenetic tree analysis of 69 PETase-like proteins. Poly(ethylene terephthalate) (PET) is a widely used plastic and its accumulation in the environment has become global problem. Here the authors report the crystal structure of a Ideonella sakaiensis PET-degrading enzyme and propose a molecular mechanism for PET degradation.

•PCV13 is currently provided in SDS which has implications for cold chain requirements.•PCV13 in a multidose vial (MDV) is formulated with the preservative 2-phenoxyethanol.•Comparison of safety and immunogenicity of MDV with SDS was therefore required.•MDV was found safe and noninferior to SDS for all 13 pneumococcal serotypes.•PCV13 MDV can help optimize vaccination in resource-limited settings. This open-label randomized controlled trial in infants compared safety, tolerability, and immunogenicity of the 13-valent pneumococcal conjugate vaccine (PCV13) formulated with the preservative 2-phenoxyethanol (2-PE) in a multidose vial (MDV) to the current PCV13 without 2-PE in a single-dose syringe (SDS). Gambian infants were randomized 1:1 to receive PCV13 as either MDV or SDS at ages 2, 3, and 4months. Serotype-specific antipneumococcal antibody responses and opsonophagocytic activity ([OPA]; subset) were measured at age 5months. Noninferiority was declared if the lower bound of the 97.5% CI for the difference (MDV-SDS) in proportions of subjects achieving IgG concentrations ≥0.35μg/mL (primary endpoint) was greater than −10%. IgG geometric mean concentrations (GMCs) were noninferior if the lower limit of the two-sided 97.5% CI of the geometric mean ratio (MDV vs SDS) was greater than 0.5. Reactogenicity and other adverse events were collected. 500 participants were randomized and vaccinated; 489 (MDV: n=245; SDS: n=244) completed the trial. Noninferiority of MDV was demonstrated for all serotypes as measured by percentage of subjects achieving antibody responses above ≥0.35μg/mL. IgG GMCs (coprimary endpoint) also demonstrated noninferiority of MDV; OPA results supported these findings. Safety and tolerability were comparable between groups. PCV13 in MDV was safe and immunogenic when administered according to the routine schedule to infants. MDV was noninferior to SDS for all 13 pneumococcal serotypes. Comparable immunogenicity and safety profiles of PCV13 MDV and SDS suggest PCV13 MDV can help optimize vaccination in resource-limited settings. ClinicalTrials.gov NCT01964716 https://clinicaltrials.gov/ct2/show/NCT01964716.

Small solutes affect protein and nucleic acid processes because of favorable or unfavorable chemical interactions of the solute with the biopolymer surface exposed or buried in the process. Large solutes also exclude volume and affect processes where biopolymer molecularity and/or shape changes. Here, we develop an analysis to separate and interpret or predict excluded volume and chemical effects of a flexible coil polymer on a process. We report a study of the concentration-dependent effects of the full series from monomeric to polymeric PEG on intramolecular hairpin and intermolecular duplex formation by 12-nucleotide DNA strands. We find that chemical effects of PEG on these processes increase in proportion to the product of the amount of DNA surface exposed on melting and the amount of PEG surface that is accessible to this DNA, and these effects are completely described by two interaction terms that quantify the interactions between this DNA surface and PEG end and interior groups. We find that excluded volume effects, once separated from these chemical effects, are quantitatively described by the analytical theory of Hermans, which predicts the excluded volume between a flexible polymer and a rigid molecule. From this analysis, we show that at constant concentration of PEG monomer, increasing PEG size increases the excluded volume effect but decreases the chemical interaction effect, because in a large PEG coil a smaller fraction of the monomers are accessible to the DNA. Volume exclusion by PEG has a much larger effect on intermolecular duplex formation than on intramolecular hairpin formation.

In this paper, we report the synthesis of ZnO nanoparticles (NPs) by forced solvolysis of Zn(CH3COO)2·2H2O in alcohols with a different number of –OH groups. We study the influence of alcohol type (n-butanol, ethylene glycol and glycerin) on the size, morphology, and properties of the obtained ZnO NPs. The smallest polyhedral ZnO NPs (<30 nm) were obtained in n-butanol, while in ethylene glycol the NPs measured on average 44 nm and were rounded. Polycrystalline particles of 120 nm were obtained in glycerin only after water refluxing. In addition, here, we report the photocatalytic activity, against a dye mixture, of three model pollutants: methyl orange (MO), methylene blue (MB), and rhodamine B (RhB), a model closer to real situations where water is polluted with many chemicals. All samples exhibited good photocatalytic activity against the dye mixture, with degradation efficiency reaching 99.99%. The sample with smallest nanoparticles maintained a high efficiency >90%, over five catalytic cycles. Antibacterial tests were conducted against Gram-negative strains Salmonella enterica serovar Typhimurium, Pseudomonas aeruginosa, and Escherichia coli, and Gram-positive strains Enterococcus faecalis, Bacillus subtilis, Staphylococcus aureus, and Bacillus cereus. The ZnO samples presented strong inhibition of planktonic growth for all tested strains, indicating that they can be used for antibacterial applications, such as water purification.

The important platform chemicals ethylene glycol and glycolic acid were produced via the oxidative D-xylose pathway in the yeast Saccharomyces cerevisiae . The expression of genes encoding D-xylose dehydrogenase (XylB) and D-xylonate dehydratase (XylD) from Caulobacter crescentus and YagE or YjhH aldolase and aldehyde dehydrogenase AldA from Escherichia coli enabled glycolic acid production from D-xylose up to 150 mg/L. In strains expressing only xylB and xylD , 29 mg/L 2-keto-3-deoxyxylonic acid [( S )-4,5-dihydroxy-2-oxopentanoic acid] (2K3DXA) was produced and D-xylonic acid accumulated to ca. 9 g/L. A significant amount of D-xylonic acid (ca. 14%) was converted to 3-deoxypentonic acid (3DPA), and also, 3,4-dihydroxybutyric acid was formed. 2K3DXA was further converted to glycolaldehyde when genes encoding by either YagE or YjhH aldolase from E. coli were expressed. Reduction of glycolaldehyde to ethylene glycol by an endogenous aldo-keto reductase activity resulted further in accumulation of ethylene glycol of 14 mg/L. The possibility of simultaneous production of lactic and glycolic acids was evaluated by expression of gene encoding lactate dehydrogenase ldhL from Lactobacillus helveticus together with aldA . Interestingly, this increased the accumulation of glycolic acid to 1 g/L. The D-xylonate dehydratase activity in yeast was notably low, possibly due to inefficient Fe–S cluster synthesis in the yeast cytosol, and leading to D-xylonic acid accumulation. The dehydratase activity was significantly improved by targeting its expression to mitochondria or by altering the Fe–S cluster metabolism of the cells with FRA2 deletion.

Deep eutectic solvents (DESs) have emerged as new promising solvents in the field of “green chemistry,” which possess a broad range of potential applications. However, the ecotoxicological profile of these solvents is still poorly known. In this study, ammonium-based deep eutectic solutions with glycerol (2:2), ethylene glycol (1:2), and diethylene glycol (1:2) as hydrogen bond donors in 1:2 proportion were evaluated for their interaction with various biological systems, including gram-positive and negative bacteria, fungi, fish, and human fibroblast cell lines. The DES synthesis was confirmed by Fourier transform infrared spectroscopy analysis, which analyses the interactions between DES precursors for their synthesis. The antimicrobial activity of tetrabutylammonium bromide: ethylene glycol was the most potent, while tetrabutylammonium bromide: diethylene glycol had a higher LC50 against C . carpio fish. Tetrabutylammonium bromide: glycerol was supposed to be the most suitable DES in terms of cell viability percentage (118%) and 2,2-diphenyl-1-picrylhydrazyl scavenging activity (93%). Finally, tetrabutylammonium bromide in glycerol can be considered an eco-friendly solvent due to its lower toxicity in both in vivo and in vitro environments.

The extreme durability of polyethylene terephthalate (PET) debris has rendered it a long-term environmental burden. At the same time, current recycling efforts still lack sustainability. Two recently discovered bacterial enzymes that specifically degrade PET represent a promising solution. First, Ideonella sakaiensis PETase, a structurally well-characterized consensus α/β-hydrolase fold enzyme, converts PET to mono-(2-hydroxyethyl) terephthalate (MHET). MHETase, the second key enzyme, hydrolyzes MHET to the PET educts terephthalate and ethylene glycol. Here, we report the crystal structures of active ligand-free MHETase and MHETase bound to a nonhydrolyzable MHET analog. MHETase, which is reminiscent of feruloyl esterases, possesses a classic α/β-hydrolase domain and a lid domain conferring substrate specificity. In the light of structure-based mapping of the active site, activity assays, mutagenesis studies and a first structure-guided alteration of substrate specificity towards bis-(2-hydroxyethyl) terephthalate (BHET) reported here, we anticipate MHETase to be a valuable resource to further advance enzymatic plastic degradation. Plastic polymer PET degrading enzymes are of great interest for achieving sustainable plastics recycling. Here, the authors present the crystal structures of the plastic degrading bacterial enzymes PETase, MHETase in its apo-form and MHETase bound to a non-hydrolyzable substrate analog.

Background Biological routes for ethylene glycol production have been developed in recent years by constructing the synthesis pathways in different microorganisms. However, no microorganisms have been reported yet to produce ethylene glycol naturally. Results Xylonic acid utilizing microorganisms were screened from natural environments, and an Enterobacter cloacae strain was isolated. The major metabolites of this strain were ethylene glycol and glycolic acid. However, the metabolites were switched to 2,3-butanediol, acetoin or acetic acid when this strain was cultured with other carbon sources. The metabolic pathway of ethylene glycol synthesis from xylonic acid in this bacterium was identified. Xylonic acid was converted to 2-dehydro-3-deoxy- d -pentonate catalyzed by d -xylonic acid dehydratase. 2-Dehydro-3-deoxy- d -pentonate was converted to form pyruvate and glycolaldehyde, and this reaction was catalyzed by an aldolase. d -Xylonic acid dehydratase and 2-dehydro-3-deoxy- d -pentonate aldolase were encoded by yjhG and yjhH , respectively. The two genes are part of the same operon and are located adjacent on the chromosome. Besides yjhG and yjhH , this operon contains four other genes. However, individually inactivation of these four genes had no effect on either ethylene glycol or glycolic acid production; both formed from glycolaldehyde. YqhD exhibits ethylene glycol dehydrogenase activity in vitro. However, a low level of ethylene glycol was still synthesized by E. cloacae Δ yqhD . Fermentation parameters for ethylene glycol and glycolic acid production by the E. cloacae strain were optimized, and aerobic cultivation at neutral pH were found to be optimal. In fed batch culture, 34 g/L of ethylene glycol and 13 g/L of glycolic acid were produced in 46 h, with a total conversion ratio of 0.99 mol/mol xylonic acid. Conclusions A novel route of xylose biorefinery via xylonic acid as an intermediate has been established.

Owing to the unique physical, chemical, mechanical and electrical properties, graphene and its derivatives have been extensively researched for diverse biomedical applications including in tissue engineering since the past decade. Tunable chemical functionalities of graphene oxide (GO), a graphene derivative, allow easy surface functionalization. Functionalization of GO with poly(ethylene glycol) (PEG) (PEG-GO) has received significant attention as it offers superior solubility, stability, and biocompatibility. Besides being an attractive candidate for drug delivery, PEG-GO can aid in the attachment, proliferation, and differentiation of stem cells, thereby augmenting tissue engineering. PEG-GO has shown excellent antibacterial efficacy, which could be an added advantage to minimize implant-associated infections. This review describes the synthesis techniques, properties, and biological potential of PEG-GO towards mammalian and bacterial cells. Studies wherein these nanomaterials have been explored for engineering various tissues are reviewed along with future opportunities in this field.