Dimethylamine Research Articles

TOXICITY OF THE HERBICIDE 2, 4-D DIMETHYL AMINE SALT ON BEHAVIORAL, HISTOLOGICAL AND OXIDATIVE STRESS BIOMARKERS OF AFRICAN CATFISH CLARIAS GARIEPINUS (BURCHELL, 1822) FINGERLINGS

The aim of this paper was to assess the toxicological impacts of the Herbicide 2, 4-D Dimethyl amine salt on Clarias gariepinus fingerlings. The fishes were exposed to lethal concentration of 0.00, 1.34, 1.42, 1.48, 1.54 and 1.60ml/L for 96 hours as well as sub-lethal concentrations of 0.00, 0.069, 0.138 and 0.276ml/l of 2, 4-D Dimethyl amine salt for 8 weeks. The value of 96 hours LC50 was 1.385ml/L. Respiratory disturbance, loss of equilibrium, and sudden fish death were observed in 96hrs of exposed fish, and these varied greatly with increase in concentration of the toxicant, with a trend of significant (p<0.05) increase in mortality with increasing concentrations. As the concentration of 2, 4-D dimethyl amine salt increased the beats of the tail and opercular ventilation increased at 12 and 24 but decreased at 72 and 96 hours. The lethal exposure of Clarias gariepinus fingerlings to 2, 4-D dimethyl amine salt indicate significant changes in enzymes activity of liver for SOD and CAT. at 1.36, 1.42, 1.48, 1.54 and 1.6ml/L while sub-lethal show no significant changes. The changes for lethal and sub-lethal in gills were characterized by, inflammation of primary and secondary lamella, vacuolation, filament atropy. The liver showed, necrosis, adipocyte infiltration, and lymphocyte hyperplasia in fish exposed lethal and sub lethal concentrations of 2, 4-D Dimethyl amine salt.

Effects of Different Inhibitors on the Corrosion Mitigation of Steel Rebar Immersed in NaCl-Contaminated Concrete Pore Solution

The corrosion of steel rebar embedded in concrete under marine conditions is a major global concern. Therefore, it needs a proper corrosion mitigation method. Various types of corrosion inhibitors are used to mitigate the corrosion of steel rebar in chloride-contaminated concrete; however, selecting the appropriate inhibitor and determining its optimal concentration remains a concern. Therefore, in the present study, three types of inhibitors—calcium nitrite (CN: Ca(NO2)2), N,N′-dimethyl ethanol amine (DMEA: (CH3)2NCH2CH2OH), and L-arginine (LA: C6H14N4O2) in three different concentrations, i.e., 0.3, 0.6 and 1.2 M—were compared with a control (without inhibitor, i.e., blank) sample to determine the optimum concentration of the inhibitor for corrosion resistance performance evaluation of reinforcement bars immersed in 0.3 M NaCl-contaminated concrete pore (NCCP) solution for various durations. The corrosion resistance properties were assessed using open circuit potential (OCP), electrochemical impedance spectroscopy (EIS) with immersion duration, and potentiodynamic polarization (PDP) after 168 h of exposure. The results showed that the CN inhibitor performed exceptionally well (corrosion inhibition efficiency greater than 97%) in terms of corrosion resistance. However, due to its hazardous nature and its ban in the U.S. and European Union, CN cannot be used in construction. In comparison, while DMEA showed some effectiveness, LA performed better and is also eco-friendly. The corrosion resistance efficiency of samples containing 0.6 M LA remains above 97% even after 168 h of immersion in the NCCP solution. This efficiency is consistent throughout the entire immersion period, from 1 h to 168 h. Therefore, it is recommended that LA be used as a corrosion inhibitor for steel reinforcement bars instead of CN, particularly in chloride-contaminated concrete, as it is both effective and safer than CN.

Precisive designing and drop-on-demand printing of spoilage-responsive colorimetric sensor array for intelligent food package

Package materials integrated with visible sensors straightforwardly indicating the freshness is shaping as a new generation package mode for food storage and logistic. In this study, a colorimetric sensor array (CSA) based on 12 pH-responsive indicators was precisely designed and prepared using drop-on-demand printing. The variation of CSA fingerprint dependent on the volatile organic compounds (VOCs) associated with meat spoilage can be easily documented with a smartphone, which was further quantified by evaluating the image pixel. It was demonstrated that the obtained CSA exhibits outstanding uniformity, stability (ΔE < 5), selectivity and reproducibility (<3.2 %). The detection limits for ammonia (NH3), dimethylamine (DMA), and trimethylamine (TMA) were determined to be 0.11 ppm, 0.13 ppm, and 0.15 ppm, respectively. Besides, outstanding discernment capability toward the spoilage status in terms of meat type and storage time, was experimentally evidenced, by using chemometric tools including principal component analysis (PCA) and hierarchical cluster analysis (HCA). Then, the performance of the CSA was validated by benchmarking with official standard methods stipulated to evaluating meat freshness (pork and shrimp). A strong correlation (R2 = 0.991) was observed between the CSA fingerprints and the measurements of total volatile basic nitrogen (TVB-N), demonstrating that the CSA might be a powerful tool for online freshness monitoring.

Anthropogenic Extremely Low Volatility Organics (ELVOCs) Govern the Growth of Molecular Clusters Over the Southern Great Plains During the Springtime

AbstractNew particle formation (NPF) often drives cloud condensation nuclei concentrations and the processes governing nucleation of molecular clusters vary substantially in different regions. The growth of these clusters from ∼2 to &gt;10 nm diameters is often driven by the availability of extremely low volatility organic vapors (ELVOCs). Although the pathways to ELVOC formation from the oxidation of biogenic terpenes are better understood, the mechanistic pathways for ELVOC formation from oxidation of anthropogenic organics are less well understood. We integrate measurements and detailed regional model simulations to understand the processes governing NPF and secondary organic aerosol formation at the Southern Great Plain (SGP) observatory in Oklahoma and compare these with a site within the Bankhead National Forest (BNF) in Alabama, southeast USA. During our two simulated NPF event days, nucleation rates are predicted to be at least an order of magnitude higher at SGP compared to BNF largely due to lower sulfuric acid (H2SO4) concentrations at BNF. Among the different nucleation mechanisms in WRF‐Chem, we find that the dimethylamine (DMA) + H2SO4 nucleation mechanism dominates at SGP. We find that anthropogenic ELVOCs are critical for explaining the growth of particles observed at SGP. Treating organic particles as semisolid, with strong diffusion limitations for organic vapor uptake in the particle phase, brings model predictions into closer agreement with observations. We also simulate two non‐NPF event days observed at the SGP site and show that low‐level clouds reduce photochemical activity with corresponding reductions in H2SO4 and anthropogenic ELVOC concentrations, thereby explaining the lack of NPF.

Development of Functionalized Polylactide Thin Films Using Poly(methylhydrogenosiloxane) Sol-Gel Process with Improved Antifouling Properties.

Biobased polylactide (PLA) films were modified with low reticulate polysiloxane gel acting as a scalable platform for the hydrophilization of polymeric film surface. The PLA thin film was first coated with poly(methylhydrogenosiloxane) (PMHS) by the sol-gel transition via the condensation of diethoxymethylsilane (DH) and triethoxysilane (TH) using trifluoromethanesulfonic acid as a catalyst. Then, hydrosilylation of Si-H bonds in the presence of Karstedt's catalyst allowed the covalent grafting of hydrophilic alkene-containing molecules, i.e., triethylene glycol monomethyl allyl (TEGMEA) and a new zwitterionic allylcarboxybetaine (ACB) synthesized for the first time by the quaternization of dimethyl allyl amine (DMAA) with β-propiolactone. PMHS coating on the PLA film was evidenced by Fourier transform infrared (FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS). The observation by atomic force microscopy (AFM) revealed a homogeneous coating with low roughness (RMS = 0.29 nm). The hydrophilicity of functionalized PLA films was determined by water contact angle (WCA) measurements using the captive bubble method. A large increase in wettability properties was observed for both grafting with TEGMEA (WCA = 38°) and ACB (WCA = 42°) in comparison with the native PLA film (WCA = 80°). Moreover, the biocompatibility and antifouling efficiency of functionalized PLA films were evaluated by protein adsorption, bacterial adhesion, and cytotoxicity tests. The results indicate that the grafting of the two types of hydrophilic compounds does not affect the biocompatibility of PLA while significantly reducing protein adsorption and bacterial adhesion, thus showing the great potential of this surface functionalization strategy for applications in the medical field.

Catalytic amination of 1,6-hexanediol for synthesis of N, N, N’, N’-tetramethyl-1,6-hexanediamine over Cu/Ni/Zn catalysts

Synthesis of N, N, N’, N’-tetramethyl-1,6-hexanediamine(TMHDA) by the amination of 1,6-hexanediol(HDO) and dimethylamine(DMA) at normal pressure over an outstanding Cu/Ni/Zn catalyst supported on aluminum oxide(γ-Al2O3) was studied in this article. Cu/Ni/Zn/γ-Al2O3(Cu: Ni: Zn = 28: 7: 12) exhibited excellent catalytic performance, which HDO was almost completely transformed and TMHDA reached 85 % selectivity at 200 °C. The amination of HDO required two hydrogenations and two dehydrogenations, and the selectivity of the amination catalyst depended on the balance of dehydrogenation and hydrogenation. Various characterization (TEM, BET, XRD, H2-TPR, XPS) demonstrated that the addition of Zn to the Cu/Ni catalyst could reduce the agglomeration of Cu/Ni particles and change the valence distribution of Cu. The Cu/Ni/Zn/γ-Al2O3 catalyst was a very promising and green method for the synthesis of tertiary diamines through amination of diols.

Methyl Orange Dye Removal by Dimethylamine Functionalized Graphene Oxide

Graphene oxide (GO) functionalized with dimethylamine (DMA) was successfully prepared using a facile technique. GO was first synthesized using the modified Hummers method, followed by chemical functionalization with DMA in the presence of an electrophilic linker, i.e., epichlorohydrin (ECH). FTIR analysis of the end product ascertains the successful synthesis of GO as well as its functionalization with DMA. Typical characteristic peaks attributed to GO and DMA are clearly discernible in the spectrum. The effect of pH, adsorbent dosage, dye concentration, and contact time towards methyl orange (MO) dye removal was studied and reported herein. In summary, enhanced adsorption of methyl orange was observed for DMA functionalized GO compared to GO alone. 90% removal was observed with 10 mg/L of MO concentration, pH = 2 at temperature 25 °C and 5 mg of adsorbent. Modelling study shows that the pseudo-second-order kinetic model and Freundlich isotherm model provide better fitness to the experimental data.

Ferromagnetic nanotracers based on Fe and Co oxides: synthesis and their role in assessing the quality of mixing liquid feeds

Ensuring homogeneity of the feed mixing is crucial for animal health and productivity. The growing complexity of feed formulations increases the need for uniform mixtures, particularly for young animals, where balanced feed significantly affects growth and consumption. Ferromagnetic microtracers, developed by MicroTracers Inc., are used to monitor mixing uniformity in dry feed production. These microtracers, including iron-based types, are effective due to their magnetic properties, facilitating detection, and separation. However, they are less suitable for liquid feeds, leading to the development of magnetic nanotracers based on the iron oxide for liquid feed applications. Nanoparticle Tracking Analysis (NTA) is used to measure the size and distribution of nanoparticles in liquid feeds, ensuring thus effective mixing. The stability and uniform distribution of magnetic nanoparticles are crucial, with various surfactants, such as dimethylamine salt of oleic acid (DMAOA) and ammonium oleate, influencing particle size and aggregation. DMAOA provides better dispersion and stability, essential for quality control in feed production. The concentration of cobalt in nanoparticles FexCoyOz was determined by a modified spectrophotometric method.

Rapid Detection of Trace Organic Amines in Seawater: An Innovative Approach Using Photoelectron-Induced Chemical Ionization TOFMS with Online Derivatization and Dynamic Purging-Release Techniques.

Organic amines (OAs) have gained substantial interest in atmospheric chemistry due to their distinctive acid-base neutralization characteristics for secondary organic aerosols and new particle formation. To address the need for sensitive and online analysis of OAs, including dimethylamine (DMA), diethylamine (DEA), trimethylamine (TMA), and triethylamine (TEA), in seawater, a home-built photoelectron-induced chemical ionization TOFMS, coupled with online derivatization and dynamic purge-release apparatus, has been developed. Sodium hypochlorite is used to derivatize high-solubility DMA and DEA, substituting hydrogen atoms with chlorine atoms to obtain more volatile derivatives, [DMA-H + Cl] and [DEA-H + Cl]. Sodium carbonate is used to reduce the solubility of the OAs in solution to enhance detection sensitivity. Microbubbles generated from 250 to 300 mL/min of zero air at the gas-liquid interface efficiently transfer dissolved OAs into the gas phase. Water vapor in the purged gas is ionized by photoelectrons to form (H2O)n·H+, which ionizes OAs and their derivatives to produce characteristic ions [OAs + H]+ or [OAs-H + Cl]·H+ characteristic ion. After optimizing the experimental conditions, the limits of quantification (S/N = 10) of the four OAs including DMA, DEA, TMA, and TEA can be as low as 1.1 0.68, 0.85, and 0.49 nmol/L, respectively within a 5 min analysis time, using only 5 mL of seawater sample. This method enhances sensitivity by over 5-fold and reduces analysis time to 21.7%, respectively, compared with conventional methods. Subsequently, this method was successfully applied to quantify 15 seawater samples from 5 typical marine environments, which demonstrates its practicability and reliability for analysis of trace amines in seawater.

Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling

Abstract. Clustering of gaseous sulfuric acid (SA) enhanced by dimethylamine (DMA) is a major mechanism for new particle formation (NPF) in polluted atmospheres. However, uncertainty remains regarding the SA–DMA nucleation parameterization that reasonably represents cluster dynamics and is applicable across various atmospheric conditions. This uncertainty hinders accurate three-dimensional (3-D) modeling of NPF and the subsequent assessment of its environmental and climatic impacts. Here we extensively compare different cluster-dynamics-based parameterizations for SA–DMA nucleation and identify the most reliable one through a combination of box model simulations, 3-D modeling, and in situ observations. Results show that the parameterization derived from Atmospheric Cluster Dynamic Code (ACDC) simulations, incorporating the latest theoretical insights (DLPNO-CCSD(T)/aug-cc-pVTZ//ωB97X-D/6-311++G(3df,3pd) level of theory) and adequate representation of cluster dynamics, exhibits dependable performance in 3-D NPF simulation for both winter and summer conditions in Beijing and shows promise for application in diverse atmospheric conditions. Another ACDC-derived parameterization, replacing the level of theory with RI-CC2/aug-cc-pV(T+d)Z//M06-2X/6–311++G(3df,3pd), also performs well in NPF modeling at relatively low temperatures around 280 K but exhibits limitations at higher temperatures due to inappropriate representation of SA–DMA cluster thermodynamics. Additionally, a previously reported parameterization incorporating simplifications is applicable for simulating NPF in polluted atmospheres but tends to overestimate particle formation rates under conditions of elevated temperature (&gt;∼300 K) and low-condensation sink (&lt;∼3×10-3 s−1). Our findings highlight the applicability of the new ACDC-derived parameterization, which couples the latest SA–DMA nucleation theory and holistic cluster dynamics, in 3-D NPF modeling. The ACDC-derived parameterization framework provides a valuable reference for developing parameterizations for other nucleation systems.

Ultrasensitive Detection of Dimethylamine Gas for Early Diagnosis of Parkinson's Disease Using CeO2-Coated Ti3C2Tx MXene/Carbon Nanofibers.

Parkinson's disease is a prevalent neurological disorder, with dimethylamine (DMA) recognized as a crucial breath biomarker, particularly at the parts per billion (ppb) level. Detecting DMA gas at this level, especially at room temperature and high humidity, remains a formidable challenge. This study presents an ultrasensitive chemiresistor DMA gas sensor, leveraging the CeO2-coated Ti3C2Tx MXene/carbon nanofiber (CeO2/MXene/C NFs) heterostructure to enhance dimethylamine sensing. The high conductivity of MXene, combined with C-Ti-O bonds and a sp2 hybridized hexagonal carbon structure, increases surface active sites. The presence of Ce3+ promotes the formation of surface-active oxygen species, while the MXene-CeO2 heterojunction broadens the electron depletion layer. Theoretical calculations reveal that the highest adsorption energy for DMA gas is at the Ce top site, explaining the sensor's satisfactory sensitivity, rapid response and recovery process, low detection limit (5 ppb), and high selectivity at room temperature. The Ce3+/Ce4+ dynamic self-refresh mechanism, involving surface hydroxyl elimination, enhances the sensor's performance under high-humid conditions. Clinical breath tests demonstrate the sensor's ability to distinguish between healthy individuals and Parkinson's disease patients, paving the way for developing next-generation sensors for early diagnosis of neurological disorders.

Atmospheric Bases-Enhanced Iodic Acid Nucleation: Altitude-Dependent Characteristics and Molecular Mechanisms.

Iodic acid (IA), the key driver of marine aerosols, is widely detected within the gas and particle phases in the marine boundary layer (MBL) and even the free troposphere (FT). Although atmospheric bases like dimethylamine (DMA) and ammonia (NH3) can enhance IA particles formation, their different efficiencies and spatial distributions make the dominant base-stabilization mechanisms of forming IA particles unclear. Herein, we investigated the IA-DMA-NH3 nucleation system through quantum chemical calculations at the DLPNO-CCSD(T)/aug-cc-pVTZ(-PP)//ωB97X-D/6-311++G(3df,3pd) + aug-cc-pVTZ-PP level of theory and cluster dynamics simulations. We provide molecular-level evidence that DMA and NH3 can jointly stabilize the IA clusters. The formation rates of IA clusters initially decline before rising from the MBL to the FT, owing to variations in mechanism. In the MBL, IA-DMA nucleation predominates, while the contribution of IA-DMA-NH3 synergistic nucleation cannot be overlooked in polar and NH3-polluted regions. In the lower FT, IA-DMA-NH3 nucleation prevails, whereas in the upper FT, IA-NH3 nucleation dominates. The efficiency of IA-DMA-NH3 nucleation is comparable to that of IA-iodous acid nucleation in the MBL and sulfuric acid-NH3 nucleation in the FT. Hence, the IA-DMA-NH3 mechanism holds promise for revealing the missing sources of tropospheric IA particles.

Treatment of brominated epoxy resin waste in subcritical dimethylformamide wastewater: Upcycling of brominated epoxy resin and dimethylformamide degradation

The debromination and upcycling of brominated epoxy resin (BER) waste is important for the e-waste treatment, while the degradation and removal of N, N-dimethylformamide (DMF) is the critical step for the DMF wastewater treatment. In this study, a co-treatment strategy was proposed for the BER waste and DMF wastewater by the subcritical water process. The co-treatment was carried out using subcritical DMF wastewater (SDW) as the reaction medium. The results showed a significantly synergistic effect between the BER conversion and DMF degradation in the SDW process. The optimal reaction conditions were as follows: reaction temperature of 300 °C, solid-to-liquid ratio of 1:15 g/mL, DMF wastewater of 30000 mg/L and reaction time of 60 min. Under the optimal reaction conditions, the debromination ratio of the BER was 98.57 %, the degradation ratio of the DMF reached 99.59 %, and phenolic substances with a purity of 86.61 % were recovered. The formation of HBr from the debromination of the BER was the most significant factor affecting the pH of the system, which had a noticeable impact on the degradation of the DMF. The main degradation products of the DMF were dimethylamine (DMA), methylamine (MA), NH3, NH4+, and CO2. The products degraded from the DMF could significantly promote the debromination and conversion of the BER. Life cycle assessment (LCA) analysis showed that the SDW process had low CO2 emissions. It is believed that the SDW process proposed in this study is an efficient technology for the synergistic treatment of the BER waste and DMF wastewater.

Low-cost ionic liquid electrolytes based on low-molecular-weight primary and secondary alkylamine hydrochlorides for rechargeable Al batteries

Rechargeable batteries with Al metal as the negative electrode are promising candidates for post‑lithium-ion batteries. However, the cost of the most commonly used electrolytes, chloroaluminate ionic liquids based on 1-ethyl-3-methylimidazolium chloride (EMICl), is prohibitive. Herein, we report a novel, low-cost chloroaluminate ionic liquid electrolyte based on primary and secondary alkylamine hydrochlorides, namely, ethylamine hydrochloride (EtNH3Cl) and dimethylamine hydrochloride (Me2NH2Cl). The advantages of these alkylamine hydrochlorides over their tertiary amine counterparts (Me3NHCl and Et3NHCl) are their lower cost, odorless nature, and a lower molecular weight that would reduce the battery weight. Although the binary systems of EtNH3Cl–AlCl3 and Me2NH2Cl–AlCl3 are not liquids at room temperature, mixing the two systems results in an ionic liquid at room temperature. The electrodeposition of Al and intercalation of AlCl4− into graphite in this electrolyte system are demonstrated. The alkylammonium cations decompose only at potentials below −0.3 V vs. Al. The performance of Al–graphite batteries incorporating this low-cost electrolyte is comparable to that of batteries using the conventional expensive EMICl-based electrolytes under typical charge-discharge conditions. The low-cost EtNH3Cl–Me2NH2Cl–AlCl3 electrolyte is expected to advance Al batteries toward practical application and commercialization.

N-nitrosodimethylamine removal by a novel silver/sulfur-coated nanoscale zero-valent iron/activated carbon composite: Adsorption kinetics, mechanisms, and degradation pathways

The removal of disinfection by-products from water is of critical importance to achieve the water purification. N-nitrosodimethylamine (NDMA), an emerging nitrogenous disinfection by-product produced by the chlorine-ammonia disinfection, remains significantly hazardous even at low concentrations. Herein, an activated carbon (AC)-supported nanoscale zero-valent iron (nZVI) coated with sulfur (S) and silver (Ag) composite (Ag@S-nZVI/AC) was synthesized, characterized via several techniques and evaluated for NDMA removal performance. The results demonstrated that crystalline Ag and mackinawite (FeS) coated amorphous nZVI spheres were successfully anchored on AC. The removal of NDMA at ultra-lower concentrations by the Ag@S-nZVI/AC composite was better fitted by pseudo-second-order (PSO) kinetic and Freundlich isotherm models. NDMA was chemically adsorbed in multiple layers on heterogeneous surface of the Ag@S-nZVI/AC composite via spontaneous endothermic process. The adsorption constant (KF) of NDMA removal by Ag@S-nZVI/AC at T=298 K was 9.89 times greater than that of NDMA removal by pristine AC. The van der Waals forces, hydrogen bonds and surface-mediated electron transfer were the main mechanisms responsible for the highly effective remediation of ultra-lower concentrations of NDMA from drinking water. The decomposition of NDMA was significantly enhanced by Ag@S-nZVI/AC, resulting in the generation of more dimethylamine (DMA), ammonium and the nitrogen-containing compounds. The decomposition process involved the oxidation of FeS, S and Fe0 surface as well as the hydrogenation of Ag. The post-leaching concentrations of Fe, Ag and S in treated drinking water were lower than the standard permissible limits.

Sustainable Electrosynthesis of N,N-Dimethylformamide via Relay Catalysis on Synergistic Active Sites.

Electrified synthesis of high-value organonitrogen chemicals from low-cost carbon- and nitrogen-based feedstocks offers an economically and environmentally appealing alternative to traditional thermocatalytic methods. However, the intricate electrochemical reactions at electrode surfaces pose significant challenges in controlling selectivity and activity, especially for producing complex substances such as N,N-dimethylformamide (DMF). Herein, we tackle this challenge by developing relay catalysis for efficient DMF production using a composite WO2-NiOOH/Ni catalyst with two distinctive active sites. Specifically, WO2 selectively promotes dimethylamine (DMA) electrooxidation to produce strongly surface-bound (CH3)2N*, while nearby NiOOH facilitates methanol electrooxidation to yield more weakly bound *CHO. The disparity in binding energetics of the key C- and N-intermediates expedites C-N coupling at the WO2-NiOOH interface. In situ infrared spectroscopy with isotope-labeling experiments, quasi-in situ electron paramagnetic resonance trapping experiments, and electrochemical operating experiments revealed the C-N coupling mechanism and enhanced DMF-synthesis selectivity and activity. In situ X-ray absorption spectroscopy (XAS) and postreaction transmission electron microscopy (TEM) studies verified the stability of WO2-NiOOH/Ni during extended electrochemical operation. A Faradaic efficiency of ∼50% and a production rate of 438 μmol cm-2 h-1 were achieved at an industrially relevant current density of 100 mA cm-2 over an 80 h DMF production period. This study introduces a new paradigm for developing electrothermo relay catalysis for the sustainable and efficient synthesis of valuable organic chemicals with industrial potential.

Overlooked significance of iodic acid in new particle formation in the continental atmosphere

New particle formation (NPF) substantially affects the global radiation balance and climate. Iodic acid (IA) is a key marine NPF driver that recently has also been detected inland. However, its impact on continental particle nucleation remains unclear. Here, we provide molecular-level evidence that IA greatly facilitates clustering of two typical land-based nucleating precursors: dimethylamine (DMA) and sulfuric acid (SA), thereby enhancing particle nucleation. Incorporating this mechanism into an atmospheric chemical transport model, we show that IA-induced enhancement could realize an increase of over 20% in the SA-DMA nucleation rate in iodine-rich regions of China. With declining anthropogenic pollution driven by carbon neutrality and clean air policies in China, IA could enhance nucleation rates by 1.5 to 50 times by 2060. Our results demonstrate the overlooked key role of IA in continental NPF nucleation and highlight the necessity for considering synergistic SA-IA-DMA nucleation in atmospheric modeling for correct representation of the climatic impacts of aerosols.

Theoretical Investigation on Water-Free, Water- and Self-Assisted H-Abstraction Reactions from Dimethylamine by Hydroxy Radicals.

Accurate branching ratios of the H-abstraction reactions from dimethylamine (DMA) by OH radicals are important in understanding the atmospheric fate of DMA. In this work, the reaction kinetics of the water-free, water-assisted, and self-assisted H-abstraction reactions between DMA and OH radicals are accurately determined using the multipath canonical variational theory with the small-curvature tunneling correction, to explore the catalytic effects of the reactant (DMA) and product (water). To choose a suitable method that well describes the current reaction systems, various combinations with seven DFT methods and six basis sets are first evaluated, and the M08-HX/ma-TZVP method is identified as the most appropriate, with a mean unsigned deviation of 0.9 kcal mol-1 against the gold-standard CCSD(T)/CBS(T-Q) method. Based on the determined potential energy surfaces with the considerations of ground-state structures and specific-reaction parameters of zero-point energies, rate constants and branching ratios are calculated in a wide temperature range. The calculations show that the participation of water and DMA can lead to three-body complexes with a lower energy and influence the energy barriers, but neither of them shows the catalytic effect on the H-abstraction reactions in terms of kinetics. Additionally, the branching ratio analysis demonstrates that the product distribution is significantly altered in the presence of DMA and water.

Elucidating Factors Contributing to Dicamba Volatilization by Characterizing Chemical Speciation in Dried Dicamba-Amine Residues.

Dicamba is a semivolatile herbicide that has caused widespread unintentional damage to vegetation due to its volatilization from genetically engineered dicamba-tolerant crops. Strategies to reduce dicamba volatilization rely on the use of formulations containing amines, which deprotonate dicamba to generate a nonvolatile anion in aqueous solution. Dicamba volatilization in the field is also expected to occur after aqueous spray droplets dry to produce a residue; however, dicamba speciation in this phase is poorly understood. We applied Fourier transform infrared (FTIR) spectroscopy to evaluate dicamba protonation state in dried dicamba-amine residues. We first demonstrated that commercially relevant amines such as diglycolamine (DGA) and n,n-bis(3-aminopropyl)methylamine (BAPMA) fully deprotonated dicamba when applied at an equimolar molar ratio, while dimethylamine (DMA) allowed neutral dicamba to remain detectable, which corresponded to greater dicamba volatilization. Expanding the amines tested, we determined that dicamba speciation in the residues was unrelated to solution-phase amine pKa, but instead was affected by other amine characteristics (i.e., number of hydrogen bonding sites) that also correlated with greater dicamba volatilization. Finally, we characterized dicamba-amine residues containing an additional component (i.e., the herbicide S-metolachlor registered for use alongside dicamba) to investigate dicamba speciation in a more complex chemical environment encountered in field applications.

Yttrium Metal–Organic Framework Nanocrystals for Two‐Step Deposited Perovskite Photovoltaics with Enhanced UV‐light Durability

AbstractMetal–organic frameworks (MOFs), renowned for their porous and tunable functionalities, hold significant potential for enhancing perovskite photovoltaic. However, the influence of MOF, particularly those with balanced cations in the pores, on the conversion of bottom‐layer PbI2 and the distribution of MOFs within perovskite remains underexplored. Herein, a newly synthesized Yttrium (Y)‐MOF material is introduced, featuring dimethylamine (DMA) as balanced cations within its pores and strong absorption in UV regime, to modify perovskite films. Y‐MOF, rich in oxygen and nitrogen sites, and featuring DMA within its pores, can passivate uncoordinated Pb2+ in perovskite. Scanning electron microscopy (SEM) and grazing incidence wide‐angle X‐ray scattering (GIWAXS) analysis of the top and bottom surfaces for pristine and Y‐MOF‐assisted perovskite samples reveal that the presence of PbI2 in the Y‐MOF‐assisted perovskite films is negligible. In situ UV–vis analyses demonstrate that the incorporation of Y‐MOF decelerates the crystallization kinetics of perovskite, facilitating the development of larger perovskite grains. Moreover, GIWAXS experiments conducted at different angles reveal the predominant bottom distribution of Y‐MOF within the perovskite, which effectively mitigates the impact of ultraviolet light on the perovskite. Consequently, the Y‐MOF‐assisted devices to achieve an efficiency of 24.05% with improved stability especially the UV‐light stability.