Glycol Research Articles

Effect of Pt Nanoparticle Morphology on the Aerobic Oxidation of Ethylene Glycol to Glycolic Acid in Water

Effect of Pt Nanoparticle Morphology on the Aerobic Oxidation of Ethylene Glycol to Glycolic Acid in Water

A comparative study of mono ethylene glycol economic production via different techniques

AbstractMono-ethylene glycol (MEG) is a high-volume chemical intermediate used as a raw material for a variety of chemical products. It could also be used as a hydrate inhibitor in natural gas. Recently, the importance of MEG has been increased due to its usage as a supporting emulsifier in diesel engines to reduce NOx and soot emissions, in addition to its usage as an additive to dual fuel diesel engines. The increase consumption of MEG in wide range of applications leads to the search for the most efficient, environmental friendly and cost effective technique to produce more quantities of it. MEG is most commonly manufactured via the hydration of ethylene oxide (EO). In this work, two different technologies of EO hydration to produce MEG are compared; the direct hydration of EO with water and the indirect hydration through the usage of ethylene carbonate (EC) as an intermediate. Comparative economic and environmental impact assessments were performed based on plant-scale simulations (per 600,000 tons per year of MEG produced) of the two hydration technologies using Aspen HYSYS version 11 simulation software. Economic analysis showed that the utilities’ energy consumption for direct hydration process is significantly higher than for indirect hydration by 279 megawatts. On the other hand, the environmental impact assessments showed that GHG emissions from natural gas power generation from utilities from direct hydration are three times greater than GHG emissions from indirect hydration. This leads to indirect hydration of ethylene oxide through ethylene carbonate formation being considered economically and environmentally preferable compared to the direct hydration process of ethylene oxide.

Comprehensive analysis and validation of TP73 as a biomarker for calcium oxalate nephrolithiasis using machine learning and in vivo and in vitro experiments.

Calcium oxalate (CaOx) nephrolithiasis constitutes approximately 75% of nephrolithiasis cases, resulting from the supersaturation and deposition of CaOx crystals in renal tissues. Despite their prevalence, precise biomarkers for CaOx nephrolithiasis are lacking. With advances in high-throughput sequencing, we aimed to identify biomarkers of CaOx nephrolithiasis by combining twoCaOx nephrolithiasis datasets (GSE73680 and GSE117518). Utilizing weighted gene co-expression network analysis (WGCNA) and four machine learning, we identified six hub genes (DLK2, BHLHA15, C12orf5, ICMT, LOXHD1, and TP73) as potential biomarkers. Additionally, CIBERSORT immune infiltration analysis suggested that these core genes may influence immune cell recruitment and infiltration in CaOx nephrolithiasis. Then, TP73 emerged as a significant hub gene in CaOx nephrolithiasis via receiver operating characteristic (ROC) analysis (AUC = 0.885). Furthermore, the role of TP73 was validated in CaOx nephrolithiasis rat models induced by 1% ethylene glycol, as well as clinical samples and renal tubular epithelial cell models treated with 1mM oxalate. Immunohistochemistry, RNA-Sequencing, and RT-qPCR experiments demonstrated an increased expression of TP73 in CaOx nephrolithiasis rat models and clinical samples. After transfection with TP73 lentivirus, CCK-8 assays suggested that TP73 could inhibit the proliferation of HK-2 and NRK-52E cells. In oxalate-induced cell models, dihydroethidium staining and flow cytometry apoptosis assays indicated that TP73 could enhance ROS levels and cell apoptosis. In summary, our study preliminarily identified TP73 as a diagnostic biomarker and elucidated the promoting role of TP73 in CaOx nephrolithiasis, providing a deeper understanding of the clinical diagnosis and pathogenesis.

Controlling Temporally and Spatially Homogeneous Temperature Distribution of Paper Substrates by Biogenic Phase Change Hybrid Material Coatings

AbstractHere the performance of phase change material (PCM)‐coated paper made from unbleached kraft pulp is introduced. The applied PCM consists of a mixture of ethylene glycol distearate (EGDS), a well‐known PCM wax material, and a fully substituted cellulose stearoyl ester (CSE). Transfer of the PCM material onto/into paper is achieved by spray as well as blade coating of EGDS + CSE mixture. It is shown that the kind of coating method used does not interfere with observed PCM properties. The significantly higher melt viscosity of the EGDS + CSE blends ensures that the EGDS wax is not bleeding out of the paper, which avoids the use of further encapsulation processes. The PCM behavior, as observed by thermal load measurements, and the thermal buffering of the coated paper is a function of the applied mass of the PCM material applied. The thermal retention exhibited a quasi‐isothermal behavior at ≈65 °C with EGDS + CSE coatings. These effects can offset fluctuations in temperature, and the PCM papers can be employed to achieve a more uniform temperature setting. PCM‐modified papers are therefore interesting candidates for paper‐based packaging or for use in paper‐based sensors, where overheating can strongly affect reliability of results.

Comparative efficacy of Knema retusa extract delivery via PEG-b-PCL, niosome, and their combination against Acanthamoeba triangularis genotype T4: characterization, inhibition, anti-adhesion, and cytotoxic activity

Background Acanthamoeba spp. is a waterborne, opportunistic protozoan that can cause amebic keratitis and granulomatous amebic encephalitis. Knema retusa is a native tree in Malaysia, and its extracts possess a broad range of biological activities. Niosomes are non-ionic surfactant-based vesicle formations and suggest a future targeted drug delivery system. Copolymer micelle (poly(ethylene glycol)-block-poly(ɛ-caprolactone); PEG-b-PCL) is also a key constituent of niosome and supports high stability and drug efficacy. To establish Knema retusa extract (KRe) loading in diverse nanocarriers via niosome, PEG-b-PCL micelle, and their combination and to study the effect of all types of nanoparticles (NPs) on Acanthamoeba viability, adherent ability, elimination of adherence, and cytotoxicity. Methods In this study, we characterized niosomes, PEG-b-PCL, and their combination loaded with KRe and tested the effect of these NPs on Acanthamoeba triangularis stages. KRe-loaded PEG-b-PCL, KRe-loaded niosome, and KRe-loaded PEG-b-PCL plus niosome were synthesized and characterized regarding particle size and charge, yield, encapsulation efficiency (EE), and drug loading content (DLC). The effect of these KRe-loaded NPs on trophozoite and cystic forms of A. triangularis was assessed through assays of minimal inhibitory concentration (MIC), using trypan blue exclusion to determine the viability. The effect of KRe-loaded NPs was also determined on A. triangularis trophozoite for 24–72 h. Additionally, the anti-adhesion activity of the KRe-loaded niosome on trophozoites was also performed on a 96-well plate. Cytotoxicity activity of KRe-loaded NPs was assessed on VERO and HaCaT cells using MTT assay. Results KRe-loaded niosome demonstrated a higher yielded (87.93 ± 6.03%) at 286 nm UV-Vis detection and exhibited a larger size (199.3 ± 29.98 nm) and DLC (19.63 ± 1.84%) compared to KRe-loaded PEG-b-PCL (45.2 ± 10.07 nm and 2.15 ± 0.25%). The EE (%) of KRe-loaded niosome was 63.67 ± 4.04, which was significantly lower than that of the combination of PEG-b-PCL and niosome (79.67 ± 2.08). However, the particle charge of these NPs was similar (−28.2 ± 3.68 mV and −28.5 ± 4.88, respectively). Additionally, KRe-loaded niosome and KRe-loaded PEG-b-PCL plus niosome exhibited a lower MIC at 24 h (0.25 mg/mL), inhibiting 90–100% of Acanthamoeba trophozoites which lasted 72 h. KRe-loaded niosome affected adherence by around 40–60% at 0.125–0.25 mg/mL and removed Acanthamoeba adhesion on the surface by about 90% at 0.5 mg/mL. Cell viability of VERO and HaCaT cells treated with 0.125 mg/mL of KRe-loaded niosome and KRe-loaded PEG-b-PCL plus niosome exceeded 80%. Conclusion Indeed, niosome and niosome plus PEG-b-PCL were suitable nanocarrier-loaded KRe, and they had a greater nanoparticle property to test with high activities against A. triangularis on the reduction of adherence ability and demonstration of its low toxicity to VERO and HaCaT cells.

Preparation and characterization of poly(ethylene glycol)-b-poly(tert-butyl methacrylate) micelles as potential nanocarriers for donepezil

Polymeric micelles were prepared for the delivery of donepezil, a leading Alzheimer’s disease drug, to enhance its transport across the blood–brain barrier (BBB). Poly(ethylene glycol)-b-poly(tert-butyl methacrylate) amphiphilic block copolymers were synthesized via reversible addition-fragmentation chain transfer (RAFT) polymerization. The polymers were characterized by gel permeation chromatography and nuclear magnetic resonance spectroscopy. Empty and donepezil loaded polymer micelles were formed using the dialysis method and characterized by dynamic light scattering and transmission electron microscopy. Drug loading efficiency and release behavior were monitored using UV/Vis spectroscopy, and cytotoxicity was evaluated via colorimetric tests and impedance measurements. Additionally, the permeability of the nanocarriers across an in vitro BBB culture model was assessed. Drug-loaded micelles demonstrated similar permeability to free donepezil but offered sustained release and improved stability. This micellar delivery system holds significant potential for improving therapeutic outcomes in Alzheimer’s treatment by enhancing donepezil’s delivery across the BBB. Improved BBB permeability and sustained drug release could lead to more effective concentration of the drug in the brain, potentially reducing peripheral cholinergic side effects, such as nausea and vomiting, often observed with traditional donepezil administration. This could result in better patient compliance and improved cognitive outcomes, making this nanocarrier system a promising alternative for Alzheimer’s therapy.

Mitochondrial-Targeting Mesoporous Polydopamine Nanoparticles for Reducing Kidney Injury Caused by Depleted Uranium.

Depleted uranium (DU), when accidentally released from the nuclear industry, can enter the human body and cause kidney damage, as DU induces oxidative damage and apoptosis through mitochondrial pathways and inflammatory reactions. The existing nanoparticles used to treat DU injury have low bioavailability and poor targeting. In this study, mesoporous polydopamine (MPDA), poly-(ethylene glycol) (PEG), and triphenylphosphonium (TPP) are combined to develop a novel mitochondrion-targeting bifunctional nanoparticle, MPDA-PEG-TPP, and confirm that it can protect the kidneys from DU. This study demonstrates the high selectivity of MPDA-PEG-TPP for uranyl in uranyl chelate assays and its promising efficiency in uranyl sequestration from the kidneys, lungs, and femurs, following immediate or delayed administration of MPDA-PEG-TPP nanoparticles. In vitro assays confirm its efficiency in removing reactive oxygen species and targeting the mitochondria. In addition, in vitro and in vivo assays confirm that MPDA-PEG-TPP can reduce mitochondrial dysfunction and ameliorate kidney injury. These results suggest that MPDA-PEG-TPP is a valuable agent for ameliorating the DU-induced kidney injury.

Ruthenium-Substituted Polyoxoanion Serves as Redox Shuttle and Intermediate Stabilizer in Selective Electrooxidation of Ethylene to Ethylene Glycol.

The high carbon intensity of present-day ethylene glycol (EG) production motivates interest in electrifying ethylene oxidation. Noting poor kinetics in prior reports of the organic electrooxidation of small hydrocarbons, we explored the design of mediators that activate and simultaneously stabilize light alkenes. A ruthenium-substituted polyoxometalate (Ru-POM, {Si[Ru(H2O)W11O39]}5-) achieves 82% faradaic efficiency in EG production at 100 mA/cm2 under ambient conditions. Via the union of in situ spectroscopic techniques, electrochemical studies, and density functional theory calculations, we find evidence of a two-step oxidation mechanism: Ru-POM first undergoes electrochemical oxidation to the high valent state, activating ethylene via partial oxidation and forming an intermediate complex; this intermediate complex then migrates to the anode where it undergoes further oxidation to produce EG. The Ru-POM-mediated electrocatalytic system reduces the projected energy consumption required in EG production, requiring 9 GJ per ton of EG (and accompanied by 0.04 ton H2 coproduction), compared to 20-30 GJ/ton in typical prior processes.

Nonlinear model predictive controller of hydrogenation of dimethyl oxalate for ethylene glycol production

Abstract Ethylene glycol (EG) is a valuable commodity organic intermediate that is produced using the catalyzed gas-phase hydrogenation process of dimethyl oxalate (DMO) from syngas. The reactor process is challenging to control because of its nonlinearity and multivariable condition. Thus, this study proposes the application of Neural Wiener model predictive control (NWMPC) for DMO hydrogenation reactor control. The application of empirical-based MPC, such as NWMPC, is still new in DMO hydrogenation reactor control. In order to simulate the process, the DMO hydrogenation reactor is modeled using Aspen Plus and Aspen Dynamic software. The Neural Wiener (NW) model is developed based on state space and neural network modeling using a Linear-Nonlinear (L-N) identification approach. A validation test is also performed to verify the accuracy of the NW model. Based on the test, the model accuracy is acceptable with the coefficient of determination (R2) of 0.965 for EG output mole fraction (first output) and R2 of 0.936 for product temperature (second output). The NWMPC capability is evaluated with a PID controller to handle a setpoint change in EG output mole fraction and reject disturbance in the feed stream flow rate. The control performance results have demonstrated the superior ability of the NWMPC to handle such scenarios better than PID in terms of controller action speed and profile.

Exactly defined molecular weight poly(ethylene glycol) allows for facile identification of PEGylation sites on proteins.

PEGylation (the covalent attachment of one or more poly(ethylene glycol) (PEG) units to a therapeutic) is a well-established technique in the pharmaceutical industry to increase blood-residence time and decrease immunogenicity. A challenging aspect of PEGylation is the dispersity of PEGylation agents, which results in batch-to-batch variations and analytical limitations. Herein, we present an approach to overcome these limitations by manufacturing a defined molecular weight (dispersity-free) PEGylation agent. We synthesise a defined molecular weight (Mw), linear 5 kDa methoxy-PEG (mPEG) active ester in an efficient and scalable manner using an iterative liquid-phase approach based on Nanostar Sieving. We then perform a comparative study on the random PEGylation and subsequent characterisation of the protein bovine serum albumin (BSA), using both the defined Mw, dispersity-free mPEG active ester, and a commercially available disperse 5 kDa mPEG active ester. We demonstrate that the defined Mw PEG both allows for facile monitoring of chemical modification reactions during the synthesis of the PEGylation agents, and facilitates straightforward identification of the PEGylated fragments within a PEGylated protein via a simple peptide mapping approach using UPLC-MS.

Hybrid Supports for Oligonucleotide Synthesis: Controlled Pore Glass Derivatives with Branched Amine-Ended Polyether or Polyimine.

Controlled pore glass (CPG), differing in pore size and subsequent specific surface, was chemically modified by: (1) increasing surface susceptibility for amine functionalization via reaction with oxirane-type (active) and alkyl/aryl-type (inactive towards amine compounds) silane pro-adhesive compounds, and (2) immobilization of trimethylolpropane tris[poly(propylene glycol), amine terminated] ether, comb-like 8-arm octa[poly(ethylene glycol) amine] with each branch amine terminated, and a poly(propylene imine) amine-terminated second-generation dendrimer. The increase in surface density of amine functions-monitored by UV-Vis technique adopted for quantitative measurements of Ruhemann's purple intensity-improved final loading capacity, characterized by dimethoxytrityl cation absorption. Obtained materials proved their applicability in automatic oligonucleotide (ON) synthesis, especially when silanized 2000 Å CPG modified with 8-arm octa[poly(ethylene glycol) amine], with deduced empirical formula CPG-silane-(NH)5.7PEG-(NH2)2.3, was used for long-chain (150 nucleotides) ONs synthesis. This can be regarded as a good CPG support for this purpose. Moreover, hybrid supports with different porosity allowed the synthesis of shorter ONs with satisfactory yield and purity, monitored by RP-HPLC and MALDI-TOF. On the molecular level, two competitive mechanisms seem to influence the utility of the final hybrid support: spatial availability of active sites and the propensity of the functionalizer to bond with the CPG surface.

Cysteine Conjugation: An Approach to Obtain Polymers with Enhanced Muco- and Tissue Adhesion

The modification of polymers towards increasing their biocompatibility gathers the attention of scientists worldwide. Several strategies are used in this field, among which chemical post-polymerization modification has recently been the most explored. Particular attention revolves around polymer-L-cysteine (Cys) conjugates. Cys, a natural amino acid, contains reactive thiol, amine, and carboxyl moieties, allowing hydrogen bond formation and improved tissue adhesion when conjugated to polymers. Conjugation of Cys and its derivatives to polymers has been examined mostly for hyaluronic acid, chitosan, alginate, polyesters, polyurethanes, poly(ethylene glycol), poly(acrylic acid), polycarbophil, and carboxymethyl cellulose. It was shown that the conjugation of Cys and its derivatives to polymers significantly increased their tissue adhesion, particularly mucoadhesion, stability at physiological pH, drug encapsulation efficiency, drug release, and drug permeation. Conjugates were also non-toxic toward various cell lines. These properties make Cys conjugation a promising strategy for advancing polymer applications in drug delivery systems and tissue engineering. This review aims to provide an overview of these features and to present the conjugation of Cys and its derivatives as a modern and promising approach for enhancing polymer tissue adhesion and its application in the medical field.

Molecular Crowding Solid Polymer Electrolytes for Lithium Metal Battery by In Situ Polymerization

AbstractSolid‐state polymer electrolytes (SPEs) require high ionic conductivity and dense contact with the electrodes for high‐performance lithium‐metal solid‐state batteries. However, massive challenges such as poor ionic migration ability, low antioxidant ability, and lithium dendrite formation still remain unresolved. These issues severely restrict its practical applications. Herein, a new type of solid‐state polymer electrolyte with a molecular crowding feature is rationally designed by in situ polymerization of a precursor containing poly (ethylene glycol) diacrylate (PEGDA) and 1,2‐dimethoxyethane (DME). Noticeably, the prepared SPE expands the electrochemical window to 4.7 V with a high lithium‐ion transfer number of 0.55 and a superior ionic conductivity of 3.6 mS cm−1 at room temperature. As a result, the lithium symmetrical batteries achieve stable cycles with more than 3000 h with no lithium dendrites at a current density of 0.5 mA cm−2. Importantly, this design provides dense contact of solid‐state polymer electrolytes with the porous cathode and lithium anode, allowing the assembled winding‐type solid‐state pouch cells with outstanding cycling stability of 81.7% retention for more than 340 cycles at room temperature. It shows excellent adaption to widely practical technology with large‐scale battery production, offering a new solution for the future development of solid‐state polymer lithium‐metal batteries.

Orthogonal Agent Comprising a Nitrile N-Oxide and a Phenylcarbamate for Facile Molecular Integration on Styrne-Butadiene Resin.

The covalent attachment of poly(ethylene glycol) (PEGylation) to materials minimizes non-specific fouling of the material surface with biocomponents. While the PEGylation reaction on polar surfaces is widely used and regarded as a common technique, the PEGylation on less polar polymers and elastomers is extremely difficult due to the absence of reactive points with PEG terminus. Herein, the design and synthesis of an orthogonal agent with a nitrile N-oxide and a phenyl carbamate that can mediate between an alkene and an amine are reported. The ligation capacity of the orthogonal agent is demonstrated through the model reaction to connect between 1-hexene and 4-methoxybenzylamine and the grafting reaction of PEG onto poly(styrene-co-butadiene) (SB) resin. The surface characteristics of PEGylated SB film are evaluated by X-ray photoelectron spectroscopy (XPS) and contact angle measurements. Because SB resin is frequently used as a 3D-printing polymer, the present study indicates that the orthogonal agent can be applicable to the surface modification of 3D-printed objects precisely manufactured by using a computer-aided design (CAD) file in the future.

Core-shell upconversion nanoparticles with suitable surface modification to overcome endothelial barrier.

Upconversion nanoparticles (UCNPs), capable of converting near-infrared (NIR) light into high-energy emission, hold significant promise for bioimaging applications. However, the presence of tissue barriers poses a challenge to the effective delivery of nanoparticles (NPs) to target organs. In this study, we demonstrate the core-shell UCNPs modified with cationic biopolymer, i.e., N, N-trimethyl chitosan (TMC), can overcome endothelial barriers. The core-shell UCNP is composed of NaGdF4: Yb3+,Tm3+ (16.7 ± 2.7 nm) as core materials and silica (SiO2) shell. The average particle size of UCNPs@SiO2 is estimated at 26.1 ± 3.7 nm. X-ray diffraction (XRD), transmission electron microscopy (TEM) and element mapping shows the formation of hexagonal crystal structure of β-NaGdF4 and elements doping. The surface of UCNPs@SiO2 has been modified with poly(ethylene glycol) (PEG) to enhance water dispersibility and colloidal stability, and further modified with TMC with the zeta potential increasing from -2.1 ± 0.96 mV to 26.9 ± 12.6 mV. No significant toxic effect is imposed to HUVECs when the cells are treated with core-shell UCNPs with surface modification up to 250 µg/mL. The transport ability of the core-shell UCNPs has been evaluated by using the in vitro endothelial barrier model. Transepithelial electrical resistance (TEER) and immunofluorescence staining of tight junction proteins have been employed to verify the integrity of the in vitro endothelial barrier model. The results indicate that the transport percentage of the UCNPs@SiO2 with PEG and TMC through the model is up to 4.56%, which is twice higher than that of the UCNPs@SiO2 with PEG but without TMC and six times that of the UCNPs@SiO2.

Physicochemical Characterization and Kinetics Study of Polymer Carriers with Vitamin C for Controlled Release Applications

This study focuses on the selection and evaluation of a kinetic model for the release of vitamin C from different delivery systems, including microcapsules, hydrogels, and a hybrid system combining both. The microcapsules were synthesized from a 2% sodium alginate solution and with vitamin C incorporated in selected formulations. Hydrogels were obtained through photopolymerization using poly(ethylene glycol) diacrylate and polyvinyl alcohol, with and without the addition of vitamin C. The hybrid system incorporated the vitamin C-containing microcapsules within the hydrogel matrix. Physicochemical properties, such as density, porosity, and water vapor transmission rate (WVTR), were evaluated. Kinetic studies of vitamin C release were conducted under dynamic and static conditions, and the experimental data were fitted to six different kinetic models: zero-order, first-order, second-order, Higuchi, Korsmeyer–Peppas, and Hixson–Crowell. The Higuchi and Korsmeyer–Peppas models provided the best fit for most systems, indicating that the release is predominantly controlled by diffusion and, in dynamic conditions, swelling of the matrix. The hybrid system, while exhibiting slower release than the microcapsules and hydrogel alone, demonstrated more controlled and sustained release, which is advantageous for applications requiring prolonged action.

Chemical Analysis and Flavour Distribution of Electronic Cigarettes in Australian Schools.

Adolescent usage of electronic cigarettes has increased globally. Inconsistent, or absent, labelling of nicotine and other ingredients requires chemical analysis to accurately determine the chemical composition of these products. Electronic cigarettes confiscated from public and private high school students (N=598) were provided for analysis from three regions in New South Wales, Australia. The products were examined for brand, model and flavour and a subset were further analysed for chemical composition (n=410) quantifying nicotine, synthetic cooling agents, flavouring chemicals and prohibited ingredients by gas chromatography-mass spectrometry (GC-MS). The majority of samples provided were fruity-flavoured disposable e-cigarettes across three main brands (IGET, HQD and Gunnpod). Nicotine was quantified in 97.3% of disposable samples with an average concentration of 40.0mg/mL while one refill e-liquid was found to contain nicotine at a low concentration. Almost all samples contained the coolant WS-23 in relatively high concentrations compared to other flavouring chemicals present. Chemicals prohibited under the TGO110 (Australian e-cigarette product standard) were identified in 3.4% of the samples which were chemically analysed. This included the presence of ethylene glycol in moderately high concentrations (up to 13.2mg/mL). Australian students' preferences for fruity, disposable e-cigarettes were identified regardless of region with the vast majority containing high concentrations of nicotine. WS-23 was found in most disposable e-cigarettes, potentially to reduce the throat irritation from nicotine and other flavouring chemicals. The inhalational safety of the samples is of concern due to health risks associated with detected prohibited compounds, particularly ethylene glycol. This is the first study to quantify nicotine, coolants and flavouring chemicals in ecigarette products seized from Australian high school students and has significant implications for future policy development. Students appear to be almost exclusively using disposable ecigarettes with high nicotine concentrations and predominately fruity flavours. WS-23 may potentially be added to disposable e-cigarettes to facilitate the uptake of these products by adolescents unaccustomed to the throat irritation from nicotine and intense flavours. The ecigarette coils were found to have degraded over time, potentially affecting the composition of the aerosol and leaching of metals.

Interactions involved in the adsorption of ethylene glycol and 2-hydroxyethoxide on the Au(111) surface: a Density Functional Theory study.

The monolayers of ethylene glycol and 2-hydroxyethoxide on gold surfaces have been used in hybrid materials as biosensors. In this article, the adsorption of ethylene glycol and 2-hydroxyethoxide on the Au(111) surface was analyzed. For the first system, ethylene glycol on Au(111), there are Au O and Au H interactions. To the best of our knowledge, the Au H interaction has been overlooked until now. However, in this work, there is strong evidence that this interaction is important to stabilize the system. For the second system, the atomic interactions mentioned previously are also predicted, although there is an additional interaction between 2-hydroxyethoxide molecules. Such an interaction induces the link -O-H-O-, with high values of the electron density at the critical points of the corresponding bond path of the O-H interaction. These links suggest the forming of ethylene glycol chains. The calculations were performed using two exchange-correlation functionals: BEEF-vdW and C09 -vdW; both functionals incorporate dispersion effects within the Kohn-Sham approach in Density Functional Theory as implemented in GPAW code and ASE computational packages. The contacts between the molecules considered in this article and the Au(111) surface were analyzed through the Quantum Theory of Atoms in Molecules implemented in GPUAM code.

Is the Use of the Extended (Meth)acrylate Series - Nails Justified? Characterization of Nail Acrylate Allergy in a Tertiary Medical Centre.

Methacrylate allergy is a common cause of allergic contact dermatitis, and its incidence has surged over the past decade. Consequently, the primary sensitizing agent, 2-hydroxyethyl methacrylate, was recently added to the European Baseline Series of contact allergens. This study aimed to assess the added value of testing for allergens included in the (Meth)Acrylate Series - Nails, in addition to 2-hydroxyethyl methacrylate, as well as to characterize patients who may benefit from more extensive testing. A retrospective analysis of medical records of patch-tested patients was conducted between June 2013 and July 2022. Among the 3,828 patients who underwent patch testing, 396 were tested with the (Meth)Acrylate Series - Nails; 153 (38.6%) of those patients tested positive for at least 1 acrylate. The most common hapten was 2-hydroxyethyl methacrylate (85.6%), followed by hydroxypropyl methacrylate (85.0%) and ethylene glycol dimethacrylate (80.4%). In our study, 22/153 patients (14.4%) would have been missed if tested only for 2-hydroxyethyl methacrylate. The analysis showed that including hydroxypropyl methacrylate and ethylene glycol dimethacrylate improved detection rate to 98%, rendering the use of the entire tray unnecessary in most cases.

Preparation of viscosity-reducing polycarboxylate superplasticizer (PCE) and its role in low water-to-cement ratio system

Owing to the low water-cement ratio (less than 0.25) of ultra-high-performance concrete (UHPC) materials, the system exhibits increased viscosity, diminished slurry flow, and challenges in pouring during the construction process, which compromise its workability. Consequently, the development of highly efficient viscosity-reducing polycarboxylate superplasticizer (PCE) is of paramount importance. In this study, we synthesized a series of viscosity-reducing polycarboxylate superplasticizers(JN-PCE) utilizing allyl polyethylene glycol ether (APEG), acrylic acid (AA), and sodium methallyl sulfonate (SMAS) as raw materials through the process of free radical polymerization. Fourier-transform infrared spectroscopy, nuclear magnetic resonance, gel permeation chromatography, and energy-dispersive X-ray spectroscopy were employed to characterize the materials. Subsequent evaluations of surface tension, fluidity, adsorption performance, and Marsh time demonstrated that these superplasticizers exhibited commendable dispersion and remarkable viscosity-reducing properties within a low water-cement ratio system. At a water-cement ratio of 0.18, the Marsh time of the JN-type PCE was reduced by 40% while maintaining the same fluidity, thereby underscoring the effective viscosity-reducing capabilities of the synthesized polycarboxylate superplasticizer.