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Chloromethane, CH3Cl, is the first organohalogen molecule to be detected in the interstellar medium. Using the recently generated accurate three-dimensional potential energy surface (3D-PES) for the weakly bound CH335Cl–He complex, we deduced that of CH337Cl–He. Both 3D-PESs were incorporated later into dynamical computations code for nuclear motions treatments of each isotopologue colliding with He. We determined the state-to-state (de-)excitation cross sections for transitions among the 105 lowest rotational levels of both ortho-CH335Cl and ortho-CH337Cl (up to jkɛ = 206±). For total energies up to 100 cm−1, we used the quantum close-coupling methodology, and we adopted the coupled state approach for higher energies (up to 2500 cm−1). Rate coefficients for temperatures ranging from 5 to 150 K are then deduced after averaging these cross sections over a Maxwell–Boltzmann velocity distribution. Computations show that isotopic effects are weak, validating the use of collision rates of ortho-CH335Cl for ortho-CH337Cl and vice-versa. However, we expect that our results will be helpful to accurately determine the abundances of these isotopologues in the interstellar medium and, more generally, for understanding the complex and still not fully elucidated chemistry of chlorine containing molecular species there. [ABSTRACT FROM AUTHOR]

For the most precise incorporation of single impurities in silicon, which is utilized to create quantum devices, a monolayer of adatoms on the Si(100) surface and a dopant-containing molecule are used. Here, we studied the interaction of phosphorus tribromide with a chlorine monolayer with mono- and bivacancies using a scanning tunneling microscope (STM) at 77 K. The combination of different halogens in the molecule and the adsorbate layer enabled unambiguous identification of the structures after PBr3 dissociation on Si(100)-Cl. A Cl monolayer was exposed to PBr3 in the STM chamber, which allows us to compare the same surface areas before and after PBr3 adsorption. As a result of this comparison, we detected small changes in the chlorine layer and unraveled the molecular fragments filling mono- and bivacancies. Using density functional theory, we found that the phosphorus atom occupies a bridge position after dissociation of the PBr3 molecule, which primarily bonds with silicon in Cl bivacancies. These findings provide insight into the interaction of a dopant-containing molecule with an adsorbate monolayer on Si(100) and can be applied to improve the process of single impurity incorporation into silicon. [ABSTRACT FROM AUTHOR]

Designing and predicting self-organized pattern formation in out-of-equilibrium chemical and biochemical reactions holds fundamental significance. External perturbations like light and electric fields exert a crucial influence on reaction-diffusion systems involving ionic species. While the separate impacts of light and electric fields have been extensively studied, comprehending their combined effects on spatiotemporal dynamics is paramount for designing versatile spatial orders. Here, we theoretically investigate the spatiotemporal dynamics of chlorine dioxide-iodine-malonic acid reaction-diffusion system under photo-illumination and circularly polarized electric field (CPEF). By applying CPEF at varying intensities and frequencies, we observe the predominant emergence of oscillating hexagonal spot-like patterns from homogeneous stable steady states. Furthermore, our study unveils a spectrum of intriguing spatiotemporal instabilities, encompassing stripe-like patterns, oscillating dumbbell-shaped patterns, spot-like instabilities with square-based symmetry, and irregular chaotic patterns. However, when we introduce periodic photo-illumination to the hexagonal spot-like instabilities induced by CPEF in homogeneous steady states, we observe periodic size fluctuations. Additionally, the stripe-like instabilities undergo alternating transitions between hexagonal spots and stripes. Notably, within the Turing region, the interplay between these two external influences leads to the emergence of distinct superlattice patterns characterized by hexagonal-and square-based symmetry. These patterns include parallel lines of spots, target-like formations, black-eye patterns, and other captivating structures. Remarkably, the simple perturbation of the system through the application of these two external fields offers a versatile tool for generating a wide range of pattern-forming instabilities, thereby opening up exciting possibilities for future experimental validation. [ABSTRACT FROM AUTHOR]

The remote sensing of abundance and properties of HCl—the main atmospheric reservoir of Cl atoms that directly participate in ozone depletion—is important for monitoring the partitioning of chlorine between "ozone-depleting" and "reservoir" species. Such remote studies require knowledge of the shapes of molecular resonances of HCl, which are perturbed by collisions with the molecules of the surrounding air. In this work, we report the first fully quantum calculations of collisional perturbations of the shape of a pure rotational line in H35Cl perturbed by an air-relevant molecule [as the first model system we choose the R(0) line in HCl perturbed by O2]. The calculations are performed on our new highly accurate HCl(X1Σ+)–O2( X 3 Σ g − ) potential energy surface. In addition to pressure broadening and shift, we also determine their speed dependencies and the complex Dicke parameter. This gives important input to the community discussion on the physical meaning of the complex Dicke parameter and its relevance for atmospheric spectra (previously, the complex Dicke parameter for such systems was mainly determined from phenomenological fits to experimental spectra and the physical meaning of its value in that context is questionable). We also calculate the temperature dependence of the line shape parameters and obtain agreement with the available experimental data. We estimate the total combined uncertainties of our calculations at 2% relative root-mean-square error in the simulated line shape at 296 K. This result constitutes an important step toward computational population of spectroscopic databases with accurate ab initio line shape parameters for molecular systems of terrestrial atmospheric importance. [ABSTRACT FROM AUTHOR]

Settling the structure stacking of graphene (G) nanosheets to maintain the high dispersity has been an intense issue to facilitate their practical application in the microelectronics‐related devices. Herein, the co‐doping of the highest electronegative fluorine (F) and large atomic radius chlorine (Cl) into G via a one‐step electrochemical exfoliation protocol is engineered to actualize the ultralong cycling stability for flexible micro‐supercapacitors (MSCs). Density functional theoretical calculations unveiled that the F into G can form the "ionic" C─F bond to increase the repulsive force between nanosheets, and the introduction of Cl can enlarge the layer spacing of G as well as increase active sites by accumulating the charge on pore defects. The co‐doping of F and Cl generates the strong synergy to achieve high reversible capacitance and sturdy structure stability for G. The as‐constructed aqueous gel‐based MSC exhibited the superb cycling stability for 500,000 cycles with no capacitance loss and structure stacking. Furthermore, the ionic liquid gel‐based MSC demonstrated a high energy density of 113.9 mW h cm−3 under high voltage of up to 3.5 V. The current work enlightens deep insights into the design and scalable preparation of high‐performance co‐doped G electrode candidate in the field of flexible microelectronics. [ABSTRACT FROM AUTHOR]

The electrochemical chlorine evolution reaction (CER) is an important electrochemical reaction for industrial applications, but it has serious problems, such as the short service life and low electrolytic efficiency in the extremely dilute chlorine-containing solution. In this paper, a RuO2–TiO2/IrO2–Ta2O5 (RuTi/IrTa) electrode was prepared via a thermal decomposition method involving alternate coating with precursor solutions with two active components, which significantly improved the service lifetime and CER selectivity of electrode materials with low Ir content. The experimental results indicate that the accelerated lifetime (AL) of the RuTi/HC–IrTa electrode with an Ir loading of 374 μg cm−2 can reach 602 h. Although the Ir loading of the HC–IrTa electrode (680 μg cm−2) is about twice that of the RuTi/HC–IrTa electrode, the AL of the HC–IrTa electrode is only 245 h, and the AL of the RuTi electrode (Ru loading: 180 μg cm−2) is only 5 h. If the precursor solutions of HC–IrTa and RuTi electrodes are simply mixed, the AL of the obtained RuTi–HC–IrTa electrode is only 41 h. This suggests that the increase in AL does in fact originate from changing the coating method, rather than simply the use of multiple active components. In addition, the SEM results indicate that the increase of the AL of RuTi/HC–IrTa is due to the change of the corrosion mechanism from pitting corrosion to surface corrosion of active components. Moreover, the CER selectivity of the RuTi/IrTa electrode has also been improved. This may be due to the change in the electronic structure, which is demonstrated through XPS characterization. The RuTi/IrTa electrode has a high electrolysis efficiency in the electrolysis of low-chlorine-concentration solutions. In the preparation of electrochemical disinfection technologies (EDTs), such as acidic electrolyzed water (AEW), more available chlorine content (ACC) can be obtained. [ABSTRACT FROM AUTHOR]

The α-oxyalkylation of aryl chlorides with ethers and alcohols using a small amount of a peroxide was found to be induced by photoirradiation. The reaction proceeds through a homolytic aromatic substitution (HAS) mechanism consisting of addition of an α-oxyalkyl radical to an aryl chloride and elimination of the chlorine atom to give the α-oxyalkylation product, where photoirradiation is considered to effect not only the initiation step to facilitate homolysis of a peroxide, but also the propagating radical chain. [ABSTRACT FROM AUTHOR]

Microwave-induced combustion was evaluated as a sample preparation method for several types of tea (black, green, lemon balm, boldo, and mint) for further determination of bromine, chlorine, fluorine, iodine, and sulfur by ion chromatography. Parameters such as the sample mass efficiently decomposed and the most suitable absorbing solution (ultrapure water and 25, 50, 100, and 150 mmol L−1 NH4OH) were evaluated, considering the characteristics of the analytes and the determination technique used. The maximum sample mass possible to be decomposed was 900 mg of milled tea in the form of pellets, and the absorbing solution chosen was 100 mmol L−1 NH4OH, which provided suitable stabilization of the analytes (recoveries between 95 % and 103 %). To assess the accuracy of the proposed method, a certified reference material (BCR 060, aquatic plant) was analyzed. Agreements with the certified values ranged from 101 % to 107 %. The proposed method was used to analyze tea samples and the concentrations ranged from 549 to 2,549 mg kg−1 for chlorine, 223 to 828 mg kg−1 for fluorine, and 786 to 4,023 mg kg−1 for sulfur; bromine and iodine concentrations were below the limits of quantification (42 and 80 mg kg−1, respectively) in all evaluated samples. [ABSTRACT FROM AUTHOR]

Background: Systematic surveillance of Clostridioides difficile infection (CDI) in our institution showed a reduction in the incidence of healthcare associated CDI (HA-CDI) during COVID-19 pandemic. Aim: Our objective was to search for factors related to this reduction. Methods: We retrospectively studied the trend of the incidences of HA-CDI, Multidrug Resistant (MDR) organisms, total antibiotic and chlorine consumptions as well as the influence of the last two on the incidence of HA-CDI. Results: During COVID-19 pandemic, the HA-CDI incidence was reduced with respect to the previous years, although total antibiotic consumption was found to increase (p <.01). MDR organisms' incidence was found to increase (p <.01), as well as the chlorine consumption (p =.04) which was the only factor to be related to the decreased rates of HA-CDI (r = −0.786, p <.05). Discussion: In our institution, COVID-19 epidemic overlapped with the reduction in the HA-CDI's incidence. This could be due to faithful compliance with the contact precaution measures but then, we would expect the incidence of MDR organisms to decrease as well. Chlorine usage for environmental cleaning was generalized during pandemic. It was the only factor to be related to the decreased rates of HA-CDI, highlighting the importance of environmental cleaning as a measure for HA-CDI prevention. [ABSTRACT FROM AUTHOR]

In this paper, a model with integration of interval programming (IP), chance-constrained programming (CCP), and fuzzy random variables (FRVs), termed as an inexact fuzzy random chance-constrained programming (IFRCCP) model, was proposed to deal with the fuzzy and random uncertainties in optimization of booster cost for a water distribution system (WDS) under uncertainty. The IFRCCP model was applied to a WDS to verify the efficiency of the method. After formulating the IFRCCP model, the booster cost intervals were obtained under various violation levels and confidence levels. The results indicated that the lower and upper booster costs increased with the confidence levels of the lower limits, and decreased with the violation levels of the lower limits. Moreover, the nodal chlorine concentrations are more uniform with the increase of booster numbers. The booster costs under trapezoidal distribution FRVs are greater than that under triangular distribution FRVs. Moreover, the uniformity of nodal chlorine concentration under triangular fuzzy distributions is larger than that under trapezoidal fuzzy distributions. The results obtained can help managers to make schemes on booster optimization under fuzzy and random uncertainties. [ABSTRACT FROM AUTHOR]

Recent foodborne outbreaks and recalls involving Listeria monocytogenes and Salmonella-contaminated peaches have caused significant economic losses to the peach industry. This study evaluated the effectiveness of chlorine, a commonly used sanitizer in the fresh produce industry, against L. monocytogenes and Salmonella and its ability to control cross-contamination in fresh peaches. Peaches inoculated with L. monocytogenes or Salmonella (~6 log10 CFU/peach) were treated with 50–150 mg/L of free chlorine (FC, pH6.8) 24 h post-inoculation. The results revealed that chlorine had similar efficacy against L. monocytogenes and Salmonella on peaches (p > 0.05). A 30 s treatment at 50, 100, and 150 mg/L FC resulted in dose-dependent reductions (p < 0.05), achieving reductions of 0.88–0.92, 1.54–1.61, and 1.73–1.79 log10 CFU/peach, respectively. Extending the contact time to 2 min slightly but significantly enhanced the chlorine efficacy (p < 0.05). Additionally, a 30 s to 2 min exposure to chlorine with 50–150 mg/L FC resulted in a 1.05–1.43 log10 CFU/peach reduction in yeasts and molds. Tap water exposure led to substantial cross-contamination between inoculated and uninoculated fruits and processed water, with Salmonella exhibiting higher transfer rates than L. monocytogenes. The application of chlorine mitigated the cross-contamination of both pathogens but did not entirely prevent it. These findings offer valuable insights for the peach and other stone fruit industries to verify process controls. [ABSTRACT FROM AUTHOR]

Fertilizers have a significant influence on the forming of the circulation of substances and energy in soils, agroecological state of lands, as well as the quality of agricultural products. Fertilizers and ameliorants, as some of the most effective means of restoring soil fertility, have a considerable influence on the agroecological condition and agrochemical indicators of arable soils in the process of their agricultural usage. The article researched such ecological aspects of using mineral fertilizers as changing the chlorine content in soil solution, potassium, calcium and magnesium content in soil intake complex as well as gross sodium content in soil after continuous usage of fertilizers in field crop rotation. The experimental part of the work was done in continuous stationary experiment in the field rotation of grain and beet crops with a set of crops traditional for the region defined in 1964. It was defined that the chlorine of fertilizers does not produce stable compounds in soil and migrates a lot in its profile. Using fertilizers in field crop rotation in a dose of 45-135 kg of K2O/ha does not contribute to chlorine increase in physiologically active 1.5 m deep soil layer. At continuous fertilizer usage, there have been essential changes in the ashed fertile soil in the composition of its intake complex - the number of calcium and magnesium exchangeables has decreased, which entails worsening of the physical and chemical qualities and as a result leads to decreasing fertility level. The research results have evinced that the ratio between magnesium and potassium in a soil intake complex drops to 2.6-3.6 as a result of continuous potassium with fertilizer usage, according to the checking data without fertilizer application it makes up - 4.2, which corresponds to optimal ratio of Mg: K = 2-5. [ABSTRACT FROM AUTHOR]

Conventional air purifiers are low effective in inactivating airborne bacteria and may cause secondary contamination by releasing endotoxins. In this study, a novel air purifier was developed and used in a static chamber, which used slightly acidic electrolysed water (SAEW) solutions as the circulating disinfectant spray medium that automatically renewed every 30 min. During the 30-minute operation, the air and solution samples were collected to measure the bacteria and endotoxin concentration by using a culturable-based method and a limulus amoebocyte lysate assay kit, respectively. The pH and endotoxin of the circulating solution were gradually increased, and the available chlorine concentration (ACC, from 87 to 50 mg/L) was decreased. Although airborne bacteria were reduced significantly, the levels of airborne endotoxins at the inlet and outlet of the purifier remained constant. Moreover, a validation experiment revealed that SAEW, with ACC of 20, 60 and 100 mg/L, cannot inactivate standard endotoxin solutions. In the experimental chamber, the airborne bacteria level (1142 CFU/m3) was significantly lower compared to the control chamber (3325 CFU/m3), with no significant difference in airborne endotoxin levels between the chambers. Our results showed that the SAEW spray air purifier could effectively remove airborne bacteria without increasing airborne endotoxin levels within a 30-minute operational period. [ABSTRACT FROM AUTHOR]

In this paper, the hydrolysis process of Dichlorohydroxytriazine (NHDT) under alkaline conditions are studied. A qualitative and quantitative method for the determination of HNDT and its hydrolysis products are established, which further clarified the hydrolysis mechanism of NHDT. Under alkaline conditions, the hydrolysis products are mainly compound 4, compound 6 and chloride (Cl−). The hydrolysis rate of NHDT at different NaOH concentration and temperature is studied. This research can be used to guide the high efficiency preparation of low fibrillation Lyocell fiber. According to the quantitative detection of wet abrasion numbers and the qualitative analysis of the fiber by SEM after slapping, it is concluded that the low fibrillation Lyocell fiber is less prone to fibrillation under the combined action of wet state and mechanical force. Due to hydrolysis of the unreacted second chlorine resulting in harmful products on the low fibrillation Lyocell fiber, the fibrillation propensity increased with the increase of storage time. The mechanical properties of low fibrillation Lyocell fiber prepared under different fiber states are studied. The tensile breaking strength of low fibrillation Lyocell fiber prepared in the form of sequentially arranged fiber bundles are better, which is closely related to the fiber surface. [ABSTRACT FROM AUTHOR]

StExCell, a novel sulfur-free and chlorine-free biorefinery concept, based on mild steam explosion followed by mild caustic extraction, oxygen delignification and bleaching, is introduced to produce dissolving pulp for textile application. Steam explosion of Betula pendula at 210 °C for 7 isothermal min (equivalent to a P-factor of ca. 1,250), combined with a total-chlorine-free purification sequence resulted in a fully bleached pulp with only 3.6 % xylan, a slightly wider cellulose molar mass distribution and a higher pulp yield, while consuming only about half of the chemicals, in reference to a prehydrolysis-kraft process. The chemical recovery and valorization of the extracted wood component were not covered by the scope of this work but speculated to be simpler than in a kraft process. [ABSTRACT FROM AUTHOR]

[Display omitted] • A self-supported Ru-NiMoO 4 /Ti electrode was prepared via a two-step strategy. • The Ru-NiMoO 4 /Ti electrode exhibits a low overpotential of 20 mV for CER. • The Ru-NiMoO 4 /Ti electrode shows a high Cl 2 electivity exceeding 90%. • SMSI between Ru and NiMoO 4 facilitates electron transfer through the Ru–O bond. • Increased d–p antibonding orbital occupancy promotes Cl desorption and Cl 2 evolution. Chlorine evolution reaction (CER) is crucial for industrial-scale production of high-purity Cl 2. Despite the development of classical dimensionally stable anodes to enhance CER efficiency, the competitive oxygen evolution reaction (OER) remains a barrier to achieving high Cl 2 selectivity. Herein, a binder-free electrode, Ru nanoparticles (NPs)-decorated NiMoO 4 nanorod arrays (NRAs) supported on Ti foam (Ru-NiMoO 4 /Ti), was designed for active CER in saturated NaCl solution (pH = 2). The Ru-NiMoO 4 /Ti electrode exhibits a low overpotential of 20 mV at 10 mA cm−2 current density, a high Cl 2 selectivity exceeding 90%, and robust durability for 90h operation. The marked difference in Tafel slopes between CER and OER indicates the high Cl 2 selectivity and superior reaction kinetics of Ru-NiMoO 4 /Ti electrode. Further studies reveal a strong metal-support interaction (SMSI) between Ru and NiMoO 4 , facilitating electron transfer through the Ru–O bridge bond and increasing the Ru 3d–Cl 2p antibonding orbital occupancy, which eventually results in weakened Ru–Cl bonding, promoted Cl desorption, and enhanced Cl 2 evolution. Our findings provide new insights into developing electrodes with enhanced CER performance through antibonding orbital occupancy engineering. [ABSTRACT FROM AUTHOR]

The impact of Cl on alkali-induced high-temperature corrosion of stainless steels/FeCrAl alloys after breakaway oxidation was investigated in a simulated biomass- and waste-fired boiler environment at 600 °C. For this investigation, three alloys were exposed to low Cl load environment (H2O+KCl) and to high Cl load (H2O+KCl+HCl). Post-exposure analysis showed that the stainless steel SVM12 experiences fast oxidation and forms thick double-layered Fe-rich oxide scales. The corrosion attack is further accelerated with addition of HCl for this material with the effect being more pronounced in the inward-growing scale. The FeCrAl and FeCrNi alloys exhibit slower oxidation kinetics after the breakaway corrosion compared to SVM12 in the H2O+KCl exposure. Furthermore, in contrast with SVM12, the addition of HCl did not accelerate the corrosion attack on these alloys. It is argued that the properties of the secondary oxide layer formed after breakaway corrosion are important in the continued corrosion resistance against chlorine-induced corrosion attack. Especially, the Cr content in the inner scales is suggested to be important in corrosion mitigation. [ABSTRACT FROM AUTHOR]

The process of depletion of ores accompanied by a permanent increase in the production and consumption of nonferrous metals led to the formation of a continuous shortage of copper rolled products and wire rods in the world economy and trade. To compensate this shortage, secondary raw materials, including, in particular, scrap and wastes of the cable and wire production and civil engineering, are now actively introduced in the commercial production. For this purpose, special equipment and installations were created for cable stripping, i.e., for the separation of cables into metal concentrate and plastic waste. However, the existing technologies of cable cutting, parallel with high levels of dust and noise, are characterized by significant losses of the metal (up to 32%) and low quality of finished products (containing at least 7–8% nonmetallic fraction represented mainly by the protective cable insulation). The indicated protective insulation is based on flexible polyvinyl chloride plastics and special admixtures aimed at increasing the ductility of the cable. In a melting furnace, the insulation ignites and releases into the furnace atmosphere H2, O2, Cl2, HCl, H2O, CO, and CO2, volatile hydrocarbons, and their chlorinated derivatives (chlorides, oxides, tetrahydride, tetramethyltin, etc.), which dissolve in the melt and may increase the concentration of hydrogen and oxygen in it. For this reason, we think that the concentrate obtained as a result of cable stripping is unsuitable for smelting copper and copper-based alloys. It can be used for smelting rough copper ingots, which requires the procedure of repeated refining remelting. In this connection, modern environmentally friendly cable-cutting technologies are developed with an aim to increase the degree of extraction of the main product (metal core) and improve its quality. The present work is devoted to the study of environmentally friendly recycling (firing) of cable scrap with polyvinyl chloride (PVC) insulation by the method of steam gasification. It was experimentally established that the indicated method makes it possible to obtain a concentrate, which is practically free of PVC insulation and suitable for smelting branded alloys. The application of the steam gasification method for recycling cable scrap and PVC-insulated wastes guarantees 100% yield of the volatile fraction at the temperatures of firing of raw materials lower than the temperatures corresponding to the pyrolysis mode. At the same time, the minimum losses of metal caused by its oxidation in the course of gasification are guaranteed. By processing the experimental data, it was established that, within the temperature range 475–600 °C, the process of steam gasification of PVC cable insulation is controlled by its duration, temperature, and the flow rate of the steam-air mixture. An empirical dependence that can be used to describe this process is obtained in the form f(Xi) = 3.74∙(−0.1093τ + 63.356)·(−65.594T + 63.356)·(−2.4626η + 35.577). It is experimentally established that the balance efficiency of copper extraction from the PVC insulation by the steam gasification method is not smaller than 99.92%. [ABSTRACT FROM AUTHOR]

We performed chlorine inactivation experiments for Elizabethkingia anophelis and E. meningoseptica bacterial strains from clinical and environmental sources. Free chlorine concentration × contact time values <0.04 mg·min/L achieved 99.9% inactivation of Elizabethkingia species, indicating chlorine susceptibility. Measures to control biofilm producing pathogens in plumbing are needed to prevent Elizabethkingia bacterial infections. [ABSTRACT FROM AUTHOR]

Decentralized water systems (DWS) distribute water in remote African areas. Throughout an intervention in Maniema, Congo, the influence of a DWS performing chlorination in the community's water quality was measured. Additionally, a socio-economic and WASH practices survey was conducted in the communities. Free residual chlorine (FRC) and microbiological contamination were measured; at the borehole, treatment site, distribution points, and households's water containers. In Big Five, water was collected from unimproved sources before DWS construction. Despite that, only 16,6% of households used efficient water treatment methods, resulting in 73% of water stored unsafe for consumption. After construction, household water quality drastically improved, regardless of FRC fluctuations; 93% of samples were classified as low health risk (safe). The renovation guaranteed continuous supply through electro-chlorinators in RVA, where chlorination was intermittent. Water from DWS with adequate chlorine levels prevented microbiological contamination in households for 12 hours. Although economically attractive, the system's sustainability will require future evaluation. [ABSTRACT FROM AUTHOR]

Raman spectroscopic data of quenching phases in experiments on the dissolution of Pt in reduced carbonic fluid, containing about 30 mol % of CO, both with and without chlorine at P = 200 MPa and T = 950–1000°C are presented. Water content in the fluid was no more than 4.5 mol %. The only soluble form of Pt determined in the acetone solution of the quenching phases and in the experimental products is platinum carbonyl. Low concentrations of carbonyl (no more than a few ppm) become detectable using Raman spectroscopy due to the SERS effect (Surface-Enhanced Raman Scattering), which is possible in the presence of Pt nanoparticles in the objects under study. Platinum nanoparticles, formed at the decomposition of carbonyls, generates specific photoluminescence (PL) peak approximated by Gaussian with parameters FWHM = 1050–1300 cm–1, kmax = 2050–2100 cm–1 both in acetone solution and experimental samples. The spectra of CO (main band k ≈ 2050 cm–1) adsorbed on Pt nanoparticles supported on glassy carbon, formed during the decomposition of excess CO relative to the CCO buffer, corresponded to nanoparticle sizes of about 2 nm. No convincing evidence of a mixed chloride-carbonyl composition of platinum was found in the spectra, which may reflect the lower thermodynamic stability of these mixed complexes at high P-T parameters. Large concentrations of platinum Pt on carbon (up to 2000–3000 ppm) can be explained by the formation of the Pt-C matrix bond and the weakening of the Pt-CO bond in carbonyls, causing their decomposition. Unusual PL peaks were detected in samples from experiments with chlorine-containing fluids, very reminiscent of the PL background of noble metal nanoparticles and attributed to the effect of carbon nanoparticles. [ABSTRACT FROM AUTHOR]

[Objective] The aims of this study are to clarify the characteristics and influence of soil water content, soil porosity, soil nutrients and the flue-cured tobacco quality in the condition of different dosage of water retaining agent (Potassium polycalcium), to apply the important supply to relieve drought and enhance the quality of the tobacco. Methods] The random-groups design and the condition of different dosages of water retention agent were adopted to measure the indices of soil water content. soil nutrients and tobacco. quality. [Results] As the dosages of water retention agent increased the soil pH value changed from 7.4 το 7.7. total porosity, capillary porosity, soil saturated water content field capacity, capillary water content first increased then decreased. when the dosage of water retaining agent reached to 150 kg/hm, the value of soil bulk density reached to the lowest value. However, the values of total porosity, capillary porosity, soil saturated water content and capillary porosity reached to the highest values. The value of CEC showed fluctuated changes. With the increased of the dosages of water retention agent, the soil organic carbon, soil total potassium available potassium first increased then decreased. However, the total nitrogen, total phosphorus, alkali hydrolyzed nitrogen and available phosphorus showed the increasing trends. But the bulk density first decreased then increased. The chlorine and total nitrogen of the tobacco leaves showed the trends of the upper leaves < the middle leaves < the lower leaves, and as the concentrations of the water retention agent increased, the content of the chlorine of the tobacco leaves showed the fluctuating change. The potassium of middle and upper leaves of the tobacco leaves were higher than that of the lower leaves. And it increased as the concentrations of the water retention agent increased. The content of nicotine changed as the order: the upper leaves the middle leaves the lower leaves, and there existed the weak correlation between nicotine and the concentration of the water retention agents. The reducing sugar and total sugar showed the similar change trends. The ratio of potassium and chlorine changed as the order: the upper leaves > the middle leaves > the lower leaves, and showed the fluctuating change trends as the concentration of water retention agent increased. However, the ratio of nicotine and total nitrogen and the ratio of sugar and alkaline. showed the order: the upper leaves < the middle leaves < the lower leaves, and the two ratios increased as the concentration of water retention agents increased. Meanwhile, there existed the significant positive correlation between the soil total nitrogen and the chlorine contents, the potassium of the upper leaves, the reducing sugar (p<0.05). Also there existed the significant positive correlation between the soil organic carbon and the chlorine contents, the reducing sugar the potassium of the upper leaves, the nicotine of the lower leaves (p<0.05). [Conclusion Above all, the dosage of 150 kg/hm' is considered as the best dosage to soil amelioration in southwest China. Also this study can supply the basis and data supports to the anti- drought ability and enhance the flue-cured tobacco quality. [ABSTRACT FROM AUTHOR]

The stacking and aggregation of graphene nanosheets have been obstacles to their application as electrode materials for microelectronic devices. This study deploys a one-step, scalable, facile electrochemical exfoliation technique to fabricate nitrogen (N) and chlorine (Cl) co-doped graphene nanosheets (i.e., N–Cl–G) via the application of constant voltage on graphite in a mixture of 0.1 mol/L H2SO4 and 0.1 mol/L NH4Cl without using dangerous and exhaustive operation. The introduction of Cl (with its large radius) and N, both with high electrical negativity, facilitates the modulation of the electronic structure of graphene and creation of rich structural defects in it. Consequently, in the as-constructed supercapacitors, N–Cl–G exhibits a high specific capacitance of 77 F/g at 0.2 A/g and remarkable cycling stability with 91.7% retention of initial capacitance after 20,000 cycles at 10 A/g. Furthermore, a symmetrical supercapacitor assembled with N–Cl–G as the positive and negative electrodes (denoted as N–Cl–G//N–Cl–G) exhibits an energy density of 3.38 Wh/kg at a power density of 600 W/kg and superior cycling stability with almost no capacitance loss after 5000 cycles at 5 A/g. This study provides a scalable protocol for the facile fabrication of high-performance co-doped graphene as an electrode material candidate for supercapacitors. N, Cl co-doped graphene (i.e., N–Cl–G) is fabricated in situ via a one-step, scalable, facile electrochemical exfoliation process. Benefiting from the ultrathin nanosheet structure of N–Cl–G with large margin size and rich functional groups, the as-prepared N–Cl–G-based supercapacitor exhibits high specific capacitance and remarkable cycling stability. Precisely, the symmetrical N–Cl–G//N–Cl–G supercapacitor (N–Cl–G as both the positive and negative electrodes) exhibits high-energy density and superior cycling stability, highlighting its considerable potential for industrial application. [ABSTRACT FROM AUTHOR]

Cadmium telluride is an efficient light absorbing material successfully used in solar cell technology. The efficiency of such photovoltaic devices is strongly dependent on post‐deposition thermal treatments in the presence of chlorine. The benefits of this process on the absorbing layer include removal of intragrain defects, grain growth enhancement, and grain boundaries passivation. The absorber chlorination is a crucial step for which CdCl2 is the most common choice. Its use, however, has been overshadowed by the toxicity of Cd‐ and Cl‐containing vapors and residues. In this work, chlorine was incorporated in CdTe films during growth using sputtering targets with different chloride compounds: CdCl2, TeCl4, BaCl2, CaCl2, or LiCl. After characterizing these films, CdTe:CdCl2 and CdTe:TeCl4 were selected as feasible absorbers for testing their performance in photovoltaic devices. Efficiencies near 7% were obtained in as‐grown unoptimized cells in which the absorber consisted of two layers: pristine CdTe and CdTe:CdCl2 or CdTe:TeCl4. The chlorinated layers acted as Cl sources for the adjacent CdTe and CdS, which produced a homogeneous distribution of chlorine throughout the cell. In the during‐growth activating‐layer (DG‐AL) method used here, the chlorine diffusion during growth had a doping effect, passivated grain boundaries and defects, improved the back contact characteristics by reducing the CdTe work function, and lowered the pinhole formation probability by producing a compact chlorinated CdTe layer. [ABSTRACT FROM AUTHOR]

This study discussed the effect of ferric salt addition on UV/electro-chlorine advanced oxidation process using a train of electrolytic and UV flow cells with an ozone-free low-pressure mercury vapour lamp (total irradiance:0.60 W at 254 nm). Ferric salt addition enhanced 1,4-dioxane degradation at an electrolytic current of 0.100 A. By contrast, an inhibitory effect of ferric salt addition was observed at a current of 0.500 A. The enhanced accumulation of free chlorine at a current of 0.500 A directly decreased the 1,4-dioxane degradation rate by scavenging reactive radicals like HO˙ and Cl˙. However, at an electrolytic current of 0.100 A, UV irradiance was relatively excessive for electrochemical chlorine production. The excess UV energy enhanced the photoreduction of FeOH2+, followed by the Fenton-type reaction of Fe2+ and HOCl, which produced HO˙ and consumed free chlorine. As a result, the free chlorine concentration decreased, and the reaction efficiency between the reactive radicals and 1,4-dioxane improved. Thus, the addition of ferric salt to a UV/electro-chlorine system is recommended when the UV irradiance in the system is excessive compared to the electrochemical chlorine supply. [ABSTRACT FROM AUTHOR]

This work reports the synthesis and structural study of a family of chlorotriarylbismuthonium salts. The abstraction of a chlorine atom with NaBArF from triarylbismuth dichloride species leads to monomeric and dimeric chlorotriarylbismuthonium species, which show a distinct behavior in solution and solid-state in comparison to their fluorotriarylbismuthonium analogues. [ABSTRACT FROM AUTHOR]

Rechargeable magnesium‐ion batteries (MIBs) hold significant promise for safe and efficient large‐scale energy storage, but the lack of high‐performance cathodes hinders their development for practical applications. In this work, a series of nanocomposites consisting of π‐conjugated perylene‐3,4,9,10‐tetracarboxylic dianhydride annealed at 450 °C and copper sulfide (CuSP) are synthesized solvothermally to explore their utility as a host for Mg2+ storage in MIBs. The carbonyl organics in the hybrid materials modify the predominant CuS phase, expanding interlayer spacing and enriching sulfur vacancies through modifications of the internal electric field. This synergistic interaction enhances magnesium storage performance and accelerates reaction kinetics. Using chlorine‐free Mg[B(hfip)4]2/DME electrolytes, the CuSP91 cathode containing an appropriate organic content displays a remarkably high reversible capacity of 285 mAh g−1 at 50 mA g−1, and demonstrates a stable capacity of 220 mAh g−1 at 100 mA g−1, surpassing pure CuS cathode in terms of shorter activation time. The CuSP91 cathode maintains a discharge capacity of 55 mAh g−1 over 1000 cycles at 500 mA g−1. A co‐redox mechanism is revealed through in/ex situ investigations and analyses. Overall, this research contributes valuable insights targeting the development of advanced organic–inorganic hybrid composite cathode materials in next‐generation energy storage systems. [ABSTRACT FROM AUTHOR]

Formation of molecular complexes and subsequent heterolytic halogen‐halogen bond splitting upon reactions of molecular Cl2 with nitrogen‐containing Lewis bases (LB) are computationally studied at M06‐2X/def2‐TZVPD and for selected compounds at CCSD(T)/aug‐cc‐pvtz//CCSD/aug‐cc‐pvtz levels of theory. Obtained results are compared with data for ICl and I2 molecules. Reaction pathways indicate, that in case of Cl2∙LB complexes the activation energies for the heterolytic Cl‐Cl bond splitting are lower than the activation energies of the homolytic splitting of Cl2 molecule into chlorine radicals. The heterolytic halogen splitting of molecular complexes of X2∙Py with formation of [XPy2]+…X3−$$ {\mathrm{X}}_3^{-} $$ contact ion pairs in the gas phase is slightly endothermic in case of Cl2 and I2, but slightly exothermic in the case of ICl. Formation of {[ClPy2]+…Cl3−$$ {\mathrm{Cl}}_3^{-} $$}2 dimers makes the overall process exothermic. Taking into account that polar solvents favor ionic species, generation of donor‐stabilized Cl+ in the presence of the Lewis bases is expected to be favorable. Thus, in polar solvents the oxidation pathway via donor‐stabilized Cl+ species is viable alternative to the homolytic Cl‐Cl bond breaking. [ABSTRACT FROM AUTHOR]

The unique characteristic of 2D transition‐metal dichalcogenide (TMD) semiconductor materials such as PdSe2 is the ability of the bandgap to vary on the basis of the number of layers present. This variation results in a broad bandgap range spanning from semi‐metallic to semiconducting materials, underscoring the significance of precisely controlling the material thickness. In this study, the thicknesses of chemical vapor deposited PdSe2 films are precisely controlled layer‐by‐layer via cyclic atomic layer etching (ALE), which comprised a radical adsorption step generated by oxygen and chlorine plasmas, followed by a desorption step with an organic solvent vapor such as formic acid. Cyclic etching with one monolayer of PdSe2/cycle is achieved using both types of adsorption gases while maintaining the ratio of Se/Pd underlying PdSe2 at ≈2. This cyclic ALE method is also applicable for smoothing TMD material surfaces by isotropically removing individual rough surface layers. Because this etching method only utilizes chemical reactions with radicals generated by plasmas and organic vapors, it is not only unaffected by the physical damage caused by the irradiation of energetic particles such as ions in plasmas, but also is applicable to 3D structure processing. [ABSTRACT FROM AUTHOR]

Sunflower husk (SFH) contributes 45–60% of the total sunflower seed weight and is a by-product of the sunflower oil industry. Among other elements, SFH ash contains K, Na, Ca and Mg. These elements cause rapid growth of ash deposits on convective heating surfaces of the boiler, resulting in reduced efficiency. The aim of this paper is to examine the possibility of producing quality fuel from SFH by its pretreatment with the technique of torrefaction in a fluidized bed in superheated water vapor. Continuous monitoring of the innovative SFH torrefaction process allowed for the determination of optimal process durations. SFH could be converted into a biofuel, having high calorific value and suitable characteristics for co-combustion with coal. Furthermore, the torrefaction in a fluidized bed of superheated water vapor allowed for a 6-fold reduction in the required process duration in comparison with data reported from the literature for the process of torrefaction in a dense bed, along with a 3-fold reduction in the chlorine content in SFH ash. These effects are beneficial to resolve the problem of corrosion on convective heating surfaces of boilers. However, torrefaction in superheated water vapor did not significantly reduce the content of alkaline and alkaline-earth elements in SFH ash. Still, this issue may be alleviated by significantly increasing the duration of SFH pretreatment. [ABSTRACT FROM AUTHOR]

• The ash melting temperature decreased on the influence of Na2O. • An appropriate ratio of MBA and MFA can effectively reduce the Cr leaching level. • The stabilization of heavy metals was enhanced when vitreous content exceeded 97.7%. • The solidification effect on Mn and Zn was readily apparent. Medical waste incineration ash (MWIA) has significant concentrations of heavy metals, dioxins, and chlorine that, if handled incorrectly, might cause permanent damage to the environment and humans. The low content of calcium (Ca), silicon (Si), and aluminum (Al) is a brand-new challenge for the melting technique of MWIA. This work added coal fly ash (CFA) to explore the effect of melting on the detoxication treatment of MWIA. It was found that the produced vitrification product has a high vitreous content (98.61%) and a low potential ecological risk, with an initial ash solidification rate of 67.38%. By quantitatively assessing the morphological distribution features of heavy metals in ashes before melting and molten products, the stabilization and solidification rules of heavy metals during the melting process were investigated. This work ascertained the feasibility of co-vitrification of MWIA and CFA. In addition, the high-temperature melting and vitrification accelerated the detoxification of MWIA and the solidification of heavy metals. [ABSTRACT FROM AUTHOR]

Boron- B is an essential element for the growth and development of plants. Its deficiency in hot, dry areas with calcareous soils can significantly reduce agricultural crop production. To study the impact of B fertilization, an experiment was conducted using a completely randomized design with seven treatments, including control, foliar spray (0.5, 1, and 2 g L−1 boric acid), and fertigation (0.5, 1, and 2 g L−1 boric acid). The experiment, with three replicates, was carried out in greenhouse conditions on pepper plants (Capsicum annuum cv. Lorca). The highest fruit yield was achieved with foliar spray at a concentration of 0.5 g L−1 and fertigation at 1 g L−1. Overall, the use of B fertilizer increased the concentration of macronutrients such as potassium-K (up to 27.79%), phosphorus-P (up to 59%), calcium-Ca (up to 49.61%), and magnesium-Mg (up to 158%), as well as micronutrients like iron-Fe (up to 59.55%), manganese-Mn (up to 29.03%), zinc-Zn (up to 81.81%), copper-Cu (up to 49.33%), B (up to 180%), and sodium-Na (up to 85.19%). It also decreased the concentration of nitrogen-N (up to 15%), sulfur-S (up to 21.36%), and chlorine-Cl (up to 48.02%) in the leaf tissue of pepper plants compared to the control treatment. These changes were influenced by the B concentration and type of fertilization. The results indicate that in calcareous soils with high pH, both fertigation and foliar spray methods can effectively address B deficiency in pepper plants by enhancing element absorption and increasing yield. [ABSTRACT FROM AUTHOR]

Direct installation of key functionalities in a molecule through C−H bond activation is one of the thrust areas as well as challenging task in organic synthesis. Particularly, introduction of chlorine in a molecule imparts additional benefits for further functionalizations as well as improves the electronic behaviour such as lipophilicity and polarity towards drug development process. The chlorinated molecules have also been established as efficient biologically relevant scaffolds. Current manuscript has been focused on the direct installation of the chlorine atom at various aromatic and aliphatic positions to produce functional molecules. The key highlight of the manuscript belongs to the site selectivity (regioselectivity) for the installation of chlorine functionality. Manuscript describes the advanced methods developed for the direct C−H chlorination reactions and further simplified for the chlorination reactions at various positions including aromatic (o‐, m‐, and p‐), benzylic, heteroaromatic, and aliphatic positions. Directing groups (DGs) and the coordination with the catalyst is the key for the enhancement of regioselectivities during direct C−H chlorination reactions. [ABSTRACT FROM AUTHOR]

This article analyzes the politics of scale in global development by focusing on a sanitation program in western Kenya. It follows the daily work of a nongovernmental organization that seeks to provide access to chlorine dispensers to millions of people for the purpose of disinfecting water. By engaging with literatures on development and infrastructure, this article proposes reach as an analytic that jointly attends to the aspirations, labors, and uncertain outcomes embedded in scale work. An ethnography of reach emphasizes the temporality of off‐grid infrastructures to capture the ambivalent relationships between aspirations and results and between standardization and adaptation, as well as the unstable nature of care. This proves useful to theorizing expansion as potentially generative of, rather than only inimical to, the good life—thereby troubling the vision of scale making as replication often used to understand development projects and their consequences. [ABSTRACT FROM AUTHOR]

Introduction: Chlorine gas can be toxic when inhaled or absorbed at high concentrations through the skin. It can cause pulmonary edema, pulmonary inflammation, respiratory failure, and potentially death. Monitoring chlorine exposure helps in determining treatment regimens and may inform safeguards, such as personal protective equipment and ventilation systems. Therefore, verification of chlorine exposure is crucial to protecting human health. This has led to identification of multiple biomarkers of Cl2 exposure with associated innovations in methods of analysis to monitor these markers. Materials and methods: In this review of the last 30 years of literature, biomarkers and associated methods of detection for the determination of chlorine exposure from biological samples are detailed and critically evaluated. Results and discussion: From the 36 included studies, the most useful biomarkers for Cl2 exposure include tyrosine adducts, chlorohydrin, chloro-fatty-acids, chloro-fatty-aldehydes, and chloro-fatty-alcohols. The most common sample preparation methods for these markers are hydrolysis and extraction and the most common analysis techniques are chromatographic separation with mass spectrometric detection. Conclusion: The findings of this review emphasize the need for continued research into biomarkers and stronger evaluation of proposed analytical methods, including validation, to allow more appropriate comparison, which will ultimately improve patient outcomes. [ABSTRACT FROM AUTHOR]

The densification of yttria-stabilized zirconia (YSZ) during flash sintering is strongly dependent on the amount of residual chlorine in the sintered bodies. The residual chlorine, present as a remnant from powder synthesis, hinders densification after it is trapped and vaporized in the rapidly closing pores, limiting the final density at around 87 – 93% of theoretical. We show that this phenomenon is likely to affect all YSZ powders synthesized from chloride precursors unless the residual chlorine is reduced to ≤ 0.03 wt% before the onset of the flash sintering. This can be universally achieved by thermal purification of green bodies at a high temperature or by chemical purification in ammonium hydroxide. Furthermore, added binder in commercially available Tosoh zirconia TZ-powders (TZ-3YB, TZ-3YB-E) helps to significantly reduce chlorine content during binder burnout which in turn allows flash sintering into a high density even without green body purification. [ABSTRACT FROM AUTHOR]

Adenosine triphosphate (ATP) can be released into the extracellular milieu from various types of cells in response to a wide range of physical or chemical stresses. In the respiratory tract, extracellular ATP is recognized as an important signal molecule and trigger of airway inflammation. Chlorine (Cl2), sulfur dioxide (SO2), and ammonia (NH3) are potent irritant gases and common industrial air pollutants due to their widespread uses as chemical agents. This study was carried out to determine if acute inhalation challenges of these irritant gases, at the concentration and duration simulating the accidental exposures to these chemical gases in industrial operations, triggered the release of ATP in the rat respiratory tract; and if so, whether the level of ATP in bronchoalveolar lavage fluid (BALF) evoked by inhalation challenge of a given irritant gas was elevated by chronic allergic airway inflammation. Our results showed: 1) inhalation of these irritant gases caused significant increases in the ATP level in BALF, and the magnitude of evoked ATP release was in the order of Cl2 > SO2 > NH3. 2) Chronic airway inflammation induced by ovalbumin-sensitization markedly elevated the ATP level in BALF during baseline (breathing room air) but did not potentiate the release of ATP in the lung triggered by inhalation challenges of these irritant gases. These findings suggested a possible involvement of the ATP release in the lung in the regulation of overall airway responses to acute inhalation of irritant gases and the pathogenesis of chronic allergic airway inflammation. NEW & NOTEWORTHY: Extracellular adenosine triphosphate (ATP) is a contributing factor and signaling molecule of airway inflammation. This study demonstrated for the first time that the ATP release in the lung was markedly elevated after acute inhalation challenges of three common industrial air pollutants; the order of the response magnitude was chlorine > sulfur dioxide > ammonia. These findings provided new information and improved our understanding of the adverse pulmonary effects caused by accidental inhalation exposures to these irritant gases. [ABSTRACT FROM AUTHOR]

The decomposition efficiency of C2HCl3 and CHCl3 in a barrier discharge is very different, even though these compounds differ little in chemical composition. In both compounds, there are three chlorine atoms and one hydrogen atom. The difference between them is the presence of one carbon atom in CHCl3 and two carbon atoms connected by a double bond in C2HCl3 and the higher polarizability of C2HCl3. The polarizability of C2HCl3 is 10.21 Å3 and that of CHCl3 is 8.39 Å3. As a result of these differences, the C2HCl3 conversion was two to three times higher than the CHCl3 conversion. The main product of CHCl3 decomposition containing chlorine was ClO2, while Cl2, COCl2, HCl, CCl4, and Cl− were formed in smaller amounts. The main products of C2HCl3 decomposition, which contain chlorine, were COCl2, HCl, and Cl−. CCl4 was not formed. Cl2 and ClO2 were formed in smaller amounts. Pathways of C2HCl3 and CHCl3 decomposition are shown in this paper. The process was carried out at low power (0.2–0.8 W) in air. The gas flow was 10 L/h, and the concentration of the decomposed compound was 0.4%. The volume of the gas space of the reactor (plasma zone) was 27 cm3. [ABSTRACT FROM AUTHOR]

Series of 1,3-disubstituted ureas and diadamantyl disubstituted diureas with fluorinated and chlorinated adamantane residues were shown to inhibit human soluble epoxide hydrolase (sEH) with inhibition potency ranging from 40 pM to 9.2 nM. The measured IC50 values for some molecules were below the accuracy limit of the existing in vitro assays. Such an increase in activity was achieved by minimal structural modifications to the molecules of known inhibitors, including 4-[trans-4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoic acid. For the chlorinated homologue of the latter the sharp jump in inhibitory activity can be (according to molecular dynamics data) the result of interactions - Cl-π interaction. Considering the extremely high inhibitory activity, acceptable solubility and partial blockage of metabolically sensitive centres in their structures, some compounds are of interest for further in vivo biotesting.

The use of household bleach cleaning products results in emissions of highly oxidative gaseous species, such as hypochlorous acid (HOCl) and chlorine (Cl2). These species readily react with volatile organic compounds (VOCs), such as limonene, one of the most abundant compounds found in indoor enviroments. In this study, reactions of HOCl/Cl2 with limonene in the gas phase and on indoor relevant surfaces were investigated. Using an environmental Teflon chamber, we show that silica (SiO2), a proxy for window glass, and rutile (TiO2), a component of paint and self-cleaning surfaces, act as a reservoir for adsorption of gas-phase products formed between HOCl/Cl2 and limonene. Furthermore, high-resolution mass spectrometry (HRMS) shows that the gas-phase reaction products of HOCl/Cl2 and limonene readily adsorb on both SiO2 and TiO2. Surface-mediated reactions can also occur, leading to the formation of new chlorine- and oxygen-containing products. Transmission Fourier-transform infrared (FTIR) spectroscopy of adsorption and desorption of bleach and terpene oxidation products indicates that these chlorine- and oxygen-containing products strongly adsorb on both SiO2 and TiO2 surfaces for days, providing potential sources of human exposure and sinks for additional heterogeneous reactions.

agroecological state of lands, the quality of agricultural products. Fertilizers and ameliorants as some of the most effective means of restoring soil fertility make a considerable influence on the agroecological condition and agrochemical indicators of arable soils in the process of their agricultural usage. The article researches such ecological aspects of using mineral fertilizers as changing chlorine content in soil solution, potassium, calcium and magnesium content in soil intake complex as well as gross natrium content in soil after continuous usage of fertilizers in field crop rotation. The experimental part of the work has been done in continuous stationary experiment in the field rotation of grain and beet crops with a set of crops traditional for the region defined in 1964. It has been defined that the chlorine of fertilizers does not produce stable compounds in soil and migrates a lot in its profile. Using fertilizers in field crop rotation in a dose of 45–135 kg of K2O/ha does not contribute to chlorine increasing in physiologically active 1,5 m deep soil layer.At continuous fertilizer usage there have been essential changes in the ashed fertile soil in the composition of its intake complex – the number of calcium and magnesium exchangeables has decreased which entails worsening physical and chemical qualities and as a result leads to decreasing fertility level. The research results have evinced that the ratio between magnesium and potassium in a soil intake complex drops to 2,6–3,6 as a result of continuous potassium with fertilizer usage, according to the checking data without fertilizer application it makes up – 4,2, which corresponds to optimal ratio Mg : K = 2–5.

In drinking water distribution systems, the oxidation of zerovalent chromium, Cr(0), in iron corrosion scales by chlorine residual disinfectant is the dominant reaction to form carcinogenic hexavalent chromium, Cr(VI). This study investigates inhibitive corrosion control strategies through adjustments of chemical water parameters (i.e., pH, silicate, phosphate, calcium, and alkalinity) on Cr(VI) formation through oxidation of Cr(0)(s) by free chlorine under drinking water conditions. The results show that an increase in pH, silicate, alkalinity, and calcium suppressed Cr(VI) formation that was mainly attributed to in situ surface precipitation of new Cr(III) solids on the surface of Cr(0)(s), including Cr(OH)3(s), Cr2(SiO3)3(s), CrPO4(s), Cr2(CO3)3(s), and Cr10Ca(CO3)16(s). The Cr(III) surface precipitates were much less reactive with chlorine than Cr(0)(s) and suppressed the Cr redox reactivity. The concentration of surface Cr(III) solids was inversely correlated with the rate constant of Cr(VI) formation. Adding phosphate either promoted or inhibited the Cr(VI) formation, depending on the phosphate concentration. This study provides fundamental insight into the Cr(VI) formation mechanisms via Cr(0) oxidation by chlorine and the importance of surface precipitation of Cr(III) solids with different corrosion control strategies and suggests that increasing the pH/alkalinity and addition of phosphate or silicate can be effective control strategies to minimize Cr(VI) formation.

In the present study, a combined process of microwave-assisted chlorination roasting-water leaching was developed to efficiently extract metal ions from spent ternary lithium-ion batteries. Polyvinyl chloride (PVC) was used as chlorine source to generate HCl for chlorination reaction. Activated carbon was first selected as the optimal absorbing medium material. Subsequently, spent anode graphite was used to induce carbonisation reduction reaction with spent LiNixCoyMnzO2 (NCM) to promote recovery of valuable metals. The characterisations of X-Ray Diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM) and thermodynamic analysis indicated that HCl derived from PVC pyrolysis could spontaneously react with carbonisation reduction products from spent NCM to form the corresponding water-soluble metal chloride for the effective recovery of valuable metals. Under the optimal conditions with reaction temperature at 450°C, material mass ratio PVC:NCM of 4:1, reaction time at 60 min and microwave power at 500 W, 96.43% of Li, 95.51% of Ni, 95.27% of Co and 95.43% of Mn can be recovered, respectively. The leaching kinetics can be described by the Avrami equation with surface chemical reaction controlled, and the leaching activation energies of Li, Ni, Co and Mn were 36.32, 42.31, 38.84 and 41.96 kJ∙mol−1, respectively. This microwave-assisted method might provide a new route for the effective recycling of spent lithium-ion batteries by chlorinated metallurgical processes. [ABSTRACT FROM AUTHOR]

Chlorine is an important chemical which has long been produced in chlor‐alkali process using dimensionally stable anodes (DSA). However, some serious drawbacks of DSA inspire the development of alternative anodes for chlorine evolution reaction (CER). In this study, we focused on the graphene‐ and carbon nanotube‐supported platinum tetra‐phenyl porphyrins as electrocatalysts for CER, which have been theoretically investigated based on density functional theory. Our results reveal that the supported substrates possess potential CER electrocatalytic activity with very low thermodynamic overpotentials (0.012–0.028 V) via Cl* pathway instead of ClO*. The electronic structures analyses showed that electron transfer from the support to the adsorbed chlorine via the Pt center leads to strong Pt–Cl interactions. Furthermore, the supported electrocatalysts exhibited excellent selectivity toward CER because of high overpotentials and reaction barriers of oxygen evolution process. Therefore, our results may pave the way for designing CER electrocatalyst utilizing emerging carbon nanomaterials. [ABSTRACT FROM AUTHOR]

The article explores the impact of environmental factors on pediatric dermatologic conditions. Topics include the role of extreme weather events—such as floods, wildfires, and heatwaves-in exacerbating skin conditions; the effects of air pollution, which can aggravate conditions like eczema and atopic dermatitis; and the impact of water quality and UV radiation exposure on children's skin health, contributing to conditions like irritant contact dermatitis and increasing the risk of melanoma.

Upon polycondensing, the monosodium salt of 2-sulphoterepthalic acid and 3,3′-diaminobenzidine resulted in sulphonated polybenzimidazole (s-p-PBI; amphiphilic polymer). The amphiphilic polymer was blended with commercially available sulphonated poly(arylene ether sulphone) (SPAES; acid polymer; IEC = 2.08 meq g−1). The s-p-PBI content in blend composition is varied from 2.5 to 30% (w/w). ATR-FTIR spectroscopy and TG analysis were examined to identify the interactions between the polymers upon blending. Cross-sectional morphology was analysed through SEM. With amphiphilic polymer addition, chlorine (hypochlorite) stability decreased and tensile strength improved. All the blend membranes showed improved water transport or restricted salt permeability than the pristine membrane (acid polymer). Water diffusivity permeability (Pw) of blend membrane AC-AM-97.5 (i.e., 97.5% (w/w) of SPAES and 2.5% (w/w) of s-p-PBI) is 1.285 cm2 s−1, while the pristine membrane is 0.864 cm2 s−1. NaCl permeability selectivity (Pw/Ps) of AC-AM-97.5 is 0.208 × 103, whereas pristine membrane shows 0.102 × 103. [ABSTRACT FROM AUTHOR]

Biological mechanisms of exposure to Trihalomethanes (THMs) in swimming pools remain unclear. Investigation of short-term changes in metabolomic profiles due to exposure to THMs during swimming can help to understand the health effects-related mechanisms. With this in view, we aimed to assess exposure of swimmers to THMs in chlorine and ozone-chlorine swimming pools using the metabolomics approach from September 2020 to January 2021 in Tehran. Two parallel panels of 29 healthy adult subjects swam over 60 min in either of swimming pools. Blood samples were collected before and 2 h after swimming to assess metabolomic profile using Hydrogen-Nuclear Magnetic Resonance Spectroscopy (H-NMR). Differential metabolites between the two groups were identified by multivariate analysis methods such as Orthogonal Partial Least-Squares Discriminant Analysis (OPLS-DA) and Random Forest (RF). The levels of THMs in exhaled air as a biomarker of exposure and the metabolic profile as a biomarker of the effect changed significantly between two participants of swimming pools. Based on the significant metabolites, the biochemical pathways were identified by the method of Metabolite Setts Enrichment Analysis (MSEA) and by using the Metaboanalyst platform. The pathways of tryptophan metabolism, galactose metabolism and fructose and mannose metabolism were the most important biochemically significant pathways in individuals after exposure to THMs. Finally, findings from metabolic changes in our study indicate that exposure to THMs in swimming pools can activate the mechanisms of central nervous system disorders, increased uric acid, increased risk of bladder cancer and oxidative stress. [ABSTRACT FROM AUTHOR]

• One-step mecahnochemical modification of activated carbon has lower carbon emission. • Species of polymeric aluminum regulated fluoride uptake performance. • Stronger binding energy between Al and F caused better anti-interference performance. • Formation of Al FOH would be more likely than Al F OH. • Enrichment of fluoride was verified by XPS characterization. Defluoridation of coal mining water is of great significance for sustainable development of coal industry in western China. A novel one-step mechanochemical method was developed to prepare polymeric aluminum modified powder activated carbon (PAC) for effective fluoride removal from coal mining water. Aluminum was stably loaded on the PAC through facile solid-phase reaction between polymeric aluminum (polyaluminum chloride (PACl) or polyaluminum ferric chloride (PAFC)) and PAC (1:15 W/W). Fluoride adsorption on PACl and PAFC modified PAC (C-PACl and C-PAFC) all reached equilibrium within 5 min, at rate of 2.56 g mg-1 sec-1 and 1.31 g mg-1 sec-1 respectively. Larger increase of binding energy of Al on C-PACl (Al F bond: 76.64 eV and Al FOH bond: 77.70 eV) relative to that of Al on C-PAFC (Al F bond: 76.52 eV) explained higher fluoride uptake capacity of C-PACl. Less chloride was released from C-PACl than that from C-PAFC due to its higher proportion of covalent chlorine and lower proportion of ionic chlorine. The elements mapping and atomic composition proved the stability of Al loaded on the PAC as well as the enrichment of fluoride on both C-PACl and C-PAFC. The Bader charge, formation energy and bond length obtained from DFT computational results explained the fluoride adsorption mechanism further. The carbon emission was 7.73 kg CO 2 -eq/kg adsorbent prepared through mechanochemical process, which was as low as 1:82.3 to 1:8.07 × 104 compared with the ones prepared by conventional hydrothermal methods. [Display omitted] [ABSTRACT FROM AUTHOR]

This study investigated the interaction between the furfural residue and polyvinyl chloride co-pyrolysis using an infrared heating method. Various analytical techniques including production distribution analysis, thermal behavior, pyrolysis kinetic, simulated distillation and gas chromatography-mass spectrography (GCMS), and X-ray photoelectron spectroscopy were utilized to elucidate the pyrolysis characterization and reaction mechanism during the co-pyrolysis. Initially, the yield of co-pyrolysis oil increased from 35.12% at 5 °C·s−1 to 37.70% at 10 °C·s−1, but then decreased to 32.07% at 20 °C·s−1. Kinetic and thermodynamic parameters suggested non-spontaneous and endothermic behaviors. GCMS analysis revealed that aromatic hydrocarbons, especially mono- and bi-cyclic ones, are the predominant compounds in the oil due to the presence of H radicals in polyvinyl chloride, suggesting an enhancement in oil quality. Meanwhile, the fixed chlorine content increased to 65.11% after co-pyrolysis due to the interaction between inorganic salts in furfural residues and chlorine from polyvinyl chloride. [ABSTRACT FROM AUTHOR]

Tetragonal ZrO2 high-k material as the dielectric layer of dynamic random access memory (DRAM) capacitors faces bulk defect related leakage current, which is one of the main obstacles to the down-scaling of DRAM devices. Boron and hydrogen impurities are known to be responsible for leakage current degradation and are hard to be removed in DRAM capacitors. However, the defect origins of boron and hydrogen leakage current are still puzzling, and corresponding suppression methods are urged. In this work, the properties of boron and hydrogen impurities in tetragonal ZrO2 are investigated using first-principles calculations, and defect types such as boron and hydrogen interstitials are discovered to have detrimental defect levels related to leakage current. Based on the discovery, a chlorine co-doping approach that can passivate detrimental defects by forming defect complexes is further proposed. By introducing level repulsion due to coupling between defect states, defect levels of passivated defect complexes are moved out of the region of leakage current contribution. Thus, bulk defect related leakage current in tetragonal ZrO2 based DRAM capacitors can be effectively suppressed without device structure modification, and a broad vista is opened for next-generation DRAM devices. [ABSTRACT FROM AUTHOR]