Volatilization and disinfection efficacy of gaseous hypochlorous acid from an air washer-type humidifier in a large space.

An air washer-type humidifier has two useful functions: humidification, and air purification, and it applies to large indoor spaces. In this study, the efficacy of an air washer-type humidifier fed with 24 L of weakly acidic electrolyzed water（WAEW) at pH 5.0 and 30 mg/L in disinfecting attached bacteria and airborne microorganisms was studied in a 480 m3 indoor space. The humidifier was operated at a shower volume of 9.0 L/min of WAEW and at an air flow rate of 29 m3/min. Volatilization of gaseous hypochlorous acid（HOCl(g)) proceeded according to first-order kinetics during the 60 min of operation. Fresh WAEW was supplied to the humidifier every 60 min, and the HOCl(g) concentration in the indoor space was maintained within the range of 25-52 ppb for at least 180 min of operation. The number of viable bacterial cells on wet agar plates placed on the floor at a distance of 5-20 m away from the humidifier decreased by 2.0-3.0 log after 30 min of operation, and no viable cells were detected after 60 min of operation. A logarithmic reduction of more than 2.7 was achieved within 15 min against bacteria-attached plates placed at a 1.5 m-height position where the outlet airflow from the humidifier was directly exposed. This indicates that the disinfection efficacy of HOCl(g) volatilized from the humidifier depends on the rate of outlet airflow reaching the bacteria-attached plates. The number of viable airborne microorganisms decreased by approximately 54% after 180 min of operation. This study demonstrated that an air-washer-type humidifier can spread HOCl(g) evenly throughout a large indoor space and is effective in disinfecting attached bacteria and airborne microorganisms.

The improvement mechanism of volatile for cooked Tibetan pork assisted with ultrasound at low-temperature: Based on the differences in oxidation of lipid and protein.

Low-temperature cooking causes flavor weakness while improving the texture and digestive properties of meat. To enhance the flavor of low-temperature cooked Tibetan pork, samples were cooked at low-temperature with or without ultrasound-assisted (UBTP, BTP) for different times (30 min, 90 min) and then analyzed using GC-MS and LC-MS. The results showed that ultrasound-assisted cooking caused a significant increase in lipid oxidation by 9.10% in the early stage of the treatment. Additionally, at the later stage of ultrasound-assisted processing, proteins were oxidized and degraded, which resulted in a remarkable rise in the protein carbonyl content by 6.84%. With prolonged effects of ultrasound and low-temperature cooking, the formation of phenylacetaldehyde in UBTP-90 sample originated from the degradation of phenylalanine through multivariate statistics and correlation analysis. Meanwhile, trans, cis-2,6-nonadienal and 1-octen-3-one originated from the degradation of linolenic acid and arachidonic acid. This study clarified the mechanism of ultrasound-assisted treatment improving the flavor of low-temperature-cooked Tibetan pork based on the perspective of lipids and proteins oxidation, providing theoretical supports for flavor enhancement in Tibetan pork-related products.

Patterned thin film enzyme electrodes via spincoating and glutaraldehyde vapor crosslinking: towards scalable fabrication of integrated sensor-on-CMOS devices.

Effective continuous glucose monitoring solutions require consistent sensor performance over the lifetime of the device, a manageable variance between devices, and the capability of high volume, low cost production. Here we present a novel and microfabrication-compatible method of depositing and stabilizing enzyme layers on top of planar electrodes that can aid in the mass production of sensors while also improving their consistency. This work is focused on the fragile biorecognition layer as that has been a critical difficulty in the development of microfabricated sensors. We test this approach with glucose oxidase (GOx) and evaluate the sensor performance with amperometric measurements of in vitro glucose concentrations. Spincoating was used to deposit a uniform enzyme layer across a wafer, which was subsequently immobilized via glutaraldehyde vapor crosslinking and patterned via liftoff. This yielded an approximately 300 nm thick sensing layer which was applied to arrays of microfabricated platinum electrodes built on blank wafers. Taking advantage of their planar array format, measurements were then performed in high-throughput parallel instrumentation. Due to their thin structure, the coated electrodes exhibited subsecond stabilization times after the bias potential was applied. The deposited enzyme layers were measured to provide a sensitivity of 2.3 ± 0.2 µA mM-1 mm-2 with suitable saturation behavior and minimal performance shift observed over extended use. The same methodology was then demonstrated directly on top of wireless CMOS potentiostats to build a monolithic sensor with similar measured performance. This work demonstrates the effectiveness of the combination of spincoating and vapor stabilization processes for wafer scale enzymatic sensor functionalization and the potential for scalable fabrication of monolithic sensor-on-CMOS devices.

Development of biomass aerogels with aligned channels: For continuous treatment of oily wastewater and solar-powered oil evaporation.

A biomass CS/CNTs@MTMS (MCCS) aerogel with both aligned channel network, superhydrophobicity, and photothermal conversion ability was prepared by a green and facile strategy of directed freeze-drying and chemical vapor deposition using chitosan (CS), carbon nanotubes (CNTs), and methyltrimethoxysilane (MTMS) as the building materials. Capacity to adsorb a large variety of oils and organic solvents, with an adsorption capacity of up to 34-83 g/g. After 10 cycles, the adsorption capacity of MCCS remained at 94 % of the initial capacity, providing excellent reusability. In addition, due to its unique network of aligned channels, the MCCS can continuously separate oil and water, making it a sustainable oil-water separator. More interestingly, the MCCS aerogel has excellent photothermal conversion capabilities, and it was utilized to evaporate oil collected during the oil-water separation process using solar energy. This work provides an opportunity to design novel self-cleaning photothermally driven oil-water separation biomass materials with superhydrophobicity-strong lipophilicity.

Case Study: Compatibility Testing of Pre-Filled Syringe Stopper Technology with Vaporized Hydrogen Peroxide Terminal Sterilization Process.

STERIS and W.L. GORE collaborated on a case study testing the compatibility of a new prefilled syringe plunger design with VHP terminal sterilization. VHP chamber conditions require deep vacuum pulsing, which may represent challenges to prefilled syringe container integrity. The growing industry trend toward VHP sterilization is driven by the FDA search for alternative sterilization methods to EO and the recent publication of a VHP specific process standard. The purpose of the study is to test and report compatibility of the new 0.5 mL GORE IMPROJECT plunger, a silicone free syringe solution for ophthalmic application, with VHP sterilization. Various challenges have been reported when using conventional, siliconized, prefilled syringe systems for intravitreal injections such as subvisible particles, inflammation, silicone floaters, and intraocular pressure increases. The GORE plunger eliminates the need for silicone oil as a lubricant on the plunger and barrel, while meeting strict container closure and terminal sterilization requirements of ophthalmic applications. This case study presents successful results of deep vacuum VHP terminal sterilization process compatibility with the GORE plunger design and material composition. Test results include primary container integrity, stopper off-gassing/ingress, and visual inspection. Principles of VHP vacuum sterilization process, test cycle configuration, and its main parameters are presented.

The radial dynamics and acoustic emissions of phase-shift droplets are impacted by mechanical properties of tissue-mimicking hydrogels.

Acoustic droplet vaporization (ADV) offers a dynamic approach for generating bubbles on demand, presenting new possibilities in biomedical applications. Although ADV has been investigated in various biomedical applications, its potential in tissue characterization remains unexplored. Here, we investigated the effects of surrounding media on the radial dynamics and acoustic emissions of ADV bubbles using theoretical and experimental methodologies. For theoretical studies, bubble dynamics were combined with the Kelvin-Voigt material constitutive model, accounting for viscoelasticity of the media. The radial dynamics and acoustic emissions of the ADV-bubbles were recorded via ultra-high-speed microscopy and passive cavitation detection, respectively. Perfluoropentane phase-shift droplets were embedded in tissue-mimicking hydrogels of varying fibrin concentrations, representing different elastic moduli. Radial dynamics and the acoustic emissions, both temporal and spectral, of the ADV-bubbles depended significantly on fibrin elastic modulus. For example, an increase in fibrin elastic modulus from ≈0.2 kPa to ≈6 kPa reduced the maximum expansion radius of the ADV-bubbles by 50%. A similar increase in the elastic modulus significantly impacted both linear (e.g., fundamental) and nonlinear (e.g., subharmonic) acoustic responses of the ADV-bubbles, by up to 10 dB. The sensitivity of ADV to the surrounding media was dependent on acoustic parameters such as driving pressure and the droplets concentration. Further analysis of the acoustic emissions revealed distinct ADV signal characteristics, which were significantly influenced by the surrounding media.

A miniaturized flow batch chemical vapor generation system for Hg determination in fish by ICP-MS.

A new flow batch (FB) system for chemical vapor generation (CVG) is proposed for mercury (Hg) determination in fish. An inductively coupled plasma mass spectrometer was used as a detector. Low-cost peristaltic mini pumps were used to propel the solutions and different configurations of FB systems (reactor/gas/liquid separator) were studied. The proposed configuration of the FB-CVG system allows good sensitivity, low limit of detection (LOD) and low consumption of reagents and sample solutions. In summary, only 1 mL of reductant, 1 mL of acid and 0.16 mL of sample are needed. The proposed method has good linearity, precision (better than 5 %), LOD of 0.008 µg g-1 and LOQ of 0.012 µg g-1, and high sample throughput, allowing 90 measurements/h. The accuracy of the method was evaluated through the analysis of a certified reference material (DOLT-4 Dogfish Liver), whose result is in good agreement with certified value (t-test with 95 % confidence level) and the quantification limit meets current legislations, of 1.0 µg g-1 (Brazil) and 0.3 µg g-1 (EU). In addition, analyte recovery test was done, where Hg recovery was better than 95 %, demonstrating the good analytical performance of the method. To demonstrate the applicability of the method, five samples of fish tissue (muscle) were analyzed. The proposed FB-CVG system, in addition to being low cost, is robust and requires only the volume of reagents necessary for Hg vapor generation, producing a very low amount of waste. It can be concluded that the proposed system can be used for routine analysis for Hg determination in fish tissue. It is worth noting that with the appropriate adjustments, the system can be coupled to different Hg detectors.

Prediction of BTEX volatilization in polluted soil based on the sorption potential energy theory.

Initial volatile concentration (Cs0) is a crucial parameter for the migration and diffusion of volatile organic pollutants (VOCs) from the soil to the atmosphere. The acquisition of Cs0 is, however, time-consuming and labor-intensive. This study developed a prediction model for Cs0 based on theoretical analysis and experimental simulations. The model was established by correlating the molecular kinetic and sorption potential energy. The pore structure and pore size distribution of the soil were analyzed based on the fractal theory of porous media, followed by calculating the sorption potential energy corresponding to each pore size. It was observed that the pore size distribution of soil influenced BTEX (benzene, toluene, ethylbenzene, and xylene) volatilization by impacting sorption potential energy. The soil parameters, such as organic matter and soil moisture content, and the initial concentration and physical properties of BTEX were coupled to the prediction model to ensure its practicability. Red soil was finally used to verify the accuracy and applicability of the model. The experimental and predicted values' maximum relative and root-mean-square errors were determined to be 24.2% and 11.7%, respectively. The model provides a simple, rapid, and accurate assessment of soil vapor emission content due to BTEX contamination. This study offers an economical and practical method for quantifying the amount of volatile BTEX in contaminated sites, providing a reference for its monitoring, control, and subsequent remediation.

Mitigation of ammonia volatilization from organic and inorganic nitrogen sources applied to soil using water hyacinth biochars.

The recent global population explosion has increased people's food demand. To meet this demand, huge amounts of nitrogen (N) fertilizer have been applied in the worldwide. However, ammonia (NH3) volatilization is one of the primary factors of N loss from soil after N application causing decrease crop N utilization efficiency and productivity. Incubation experiments were conducted on an acidic clayey soil with two different N sources (urea and anaerobic digestion effluent; ADE), two differently-produced biochars, and three biochar application rates (0%, 0.25%, and 1.0% w/w). Ammonia volatilization was lower from urea (14.0-23.5 mg N kg-1) and ADE (11.3-21.0 mg N kg-1) with biochar application than those without biochar (40.1 and 26.2 mg N kg-1 from urea and ADE alone, respectively). Biochar application significantly mitigated volatilization and reduction percentages for urea and ADE were 40%-64% and 18%-55%, respectively. 1.0% biochar application mitigated volatilization significantly compared to 0.25% application regardless of N source and biochar types. Possible mechanism for volatilization mitigation for urea and ADE were increased N immobilization by soil microorganisms and accelerated net nitrification rate due to increased soil nitrifying bacteria, respectively. Overall, our results clarified different mechanisms for N volatilization mitigation from different (inorganic vs. organic) N sources with biochar application.

AIE paper shred for the detection of evolved amine vapor from putrefaction processes of fish.

Seafood plays a major role in the human diet. During transportation, without proper storage and supply chain, its quality deteriorates easily. The post-harvesting processes such as the storage of food play a crucial role in human health. So it is highly imperative to have a technique for identifying food spoilage earlier to ensure the food safety and security of the consumers. Herein we have developed a highly selective and sensitive fluorescent 'Turn-on' probe 2-amino-5-nitrobenzo [d] thiazol-2-yl) imino)methylphenol ANT based on aggregation induced emission (AIE). ANT molecule possesses both restricted intramolecular rotation (RIR) and excited state intramolecular proton transfer (ESIPT) properties leading to fluorescent enhancement rather than aggregation caused quenching (ACQ). The probe shows high selectivity and sensitivity towards the NH3 vapor. This probe with the AIE property is employed for the real-time detection of NH3 in both aqueous and gaseous phases. ANT molecule is deposited on the paper shred by a physical method is utilized to monitor NH3 vapor from red snapper fish as a real-time sample during its degradation processes. After two days there is a ratiometric color change in the paper shred from yellow to orange for the fish stored at room temperature indicating its rotten and unpalatability nature. Paper shred is reused by immersing it into the tetrahydrofuran (THF), in which it retains its initial color due to deprotonation of NH3, keto to enol tautomerism discloses the reusability of the fluorescent probe. Studies carried out using UV-visible and fluorescence spectroscopy infer that the ANT probe has high affinity towards NH3 vapor.

Insight into volatile-char interaction mechanisms of biomass torrefaction based on three major components.

Volatile-char interaction is an important phenomenon in biomass thermal conversion process, which significantly contributes to the decomposition, deoxygenation and upgrading of biomass. However, the deep insight into volatile-char interaction mechanisms between hemicellulose, cellulose and lignin is currently unclear. In this work, above mechanism was studied through systematic single-/bi-component torrefactions and the follow-up char analysis. Results demonstrate that only hemicellulose volatile and cellulose char interaction exists during torrefaction at 250 °C, causing over 19.9 wt% of mass loss and 27.3 wt% of O removal for cellulose. This volatile-char interaction causes significant depolymerization and amorphization of cellulose by hydrolysis, acid hydrolysis and esterification reactions. The depolymerized and amorphous cellulose partly thermally decomposes to dehydrated sugars and aromatic compounds through dehydroxylation and aromatization reactions. A volatile-char interaction mechanism model is thus developed. This work provides theoretical insight into biomass thermal conversion and provides basis for the development of new thermochemical method.

Scenting serenity: influence of essential-oil vaporization on dental anxiety - a cluster-randomized, controlled, single-blinded study (AROMA_dent).

Dental fear and anxiety (DFA) is known as an immense challenge in oral healthcare, which can result in compromised oral health, pain, and uncomfortable treatment. The objective of this study was to analyze the effect of essential-oil vaporization on acute anxiety of patients in dental practices. Four dental practices used five weekly cycles of vaporization with each scent: Orange (Citrus sinensis), Swiss Pine (Pinus cembra), Good Mood (blended essential oils: Citrus sinensis, Citrus aurantifolia, Citrus limon, Osmanthus fragrance (5%)), Forest Walk (blended essential oils: Abies grandis, Pinus cembra, Myrtus communis c. t. 1,8-cineol, Abies alba, Citrus paradisi, Abies sibirica, Pseudotsuga menziesii, Vetiveria zizanoides), and water. Acute anxiety was the primary outcome (state-trait-anxiety inventory (STAI-S)). Secondary outcomes were trait anxiety (STAI-T), dental anxiety (Kleinknecht dental fear survey), and pain perception in treatment (numeric rating scale). Across all patients (n = 486), STAI-S was slightly higher in the control group (40.7 ± 11.6) than in the intervention groups (38.4 ± 10.5). Post-hoc analyses revealed that the effect is only robust for the subgroup of female patients (n = 296, p = 0.044). We also conducted a post-hoc additional analysis on a subpopulation with an increased level of STAI-T ≥ 42 (n = 131 patients). For this group the difference in acute anxiety between the control group (51.1 ± 11.9, n = 30) vs. the intervention groups (46.8 ± 9.6, n = 118) was significant (T = 4.39, p = 0.0379). The results of the study indicate a promising potential of essential-oil vaporization to alleviate dental anxiety, particularly in the subgroups of patients with a high level of trait anxiety, and particularly in female patients. The calming effects of the essential-oil vaporization were also highlighted by the anecdotical statements of the dental-practice staff. The anxiety-reducing role of essential-oil vaporization alone and as one part of combined techniques to counter DFA should be further explored using multi-perspective methodological approaches in research.

Rapid and simultaneous detection of cadmium and mercury in foods based on solid sampling integrated electrothermal vaporization technique.

This work presents an innovative solid sampling (SS) integrated electrothermal vaporization (ETV) approach for simultaneous determination of Cd and Hg based on differentiated elemental vaporization and transportation behavior characteristics. A miniature N2/H2 generator, only consuming electricity and H2O, was utilized to yield reducing atmosphere for Cd vaporization; MgO filler was modified to absorb matrix interferent and keep Hg and Cd transportation via 1st catalytic pyrolysis furnace (CPF); and a gearing was employed to move 2nd CPF to receive and trap (amalgamation) the vaporized Hg from ETV and then thermo-release them for simultaneous detection. Under optimized conditions, the limits of detection of Cd and Hg reached 0.02-0.04 ng/g using 0.4 g sample size. The linearities (R2) exceeded 0.998 and recoveries were 85.0-111.9%, indicating favorable analysis precision and accuracy within ∼3 min without sample digestion process. The proposed HgCd analyzer is suitable for rapid monitoring food with simplicity, green and safety.

Impacts of LNAPL types on mechanisms and rate of natural source zone depletion.

Understanding the mechanisms of natural source zone depletion (NSZD) will support an improved understanding of the long-term sustainability of NSZD as a site remedy and how NSZD rates may change over time. This is the first study that has quantified and compared the rate of three NSZD mechanisms (methanogenesis, vaporization, and aqueous biodegradation) between two chemically distinct light non-aqueous phase liquid (LNAPL) source zones (aliphatic-rich naphtha for Zone #1 vs aromatic-rich pyrolysis gasoline for Zone #2) within the same geologic and climate conditions. The rates of NSZD attributable to vaporization (400 mg C/m2/d vs. 300 mg C/m2/d) and aqueous biodegradation (92 mg C/m2/d vs. 67 mg C/m2/d) were similar for Zone #1 and #2; however, the rate of methanogenesis NSZD was 6x higher in Zone #1 (1000 mg C/m2/d vs. 170 mg C/m2/d). These results suggest that the aliphatic hydrocarbons content in an LNAPL source may be a factor in the rate of methanogenesis NSZD. For both Zone #1 and #2, total NSZD rate determined using this "three mechanism" measurement method was in reasonable agreement with two other methods used to measure total NSZD rates (CO2 Gradient Method and Dynamic Closed Chamber Method), validating the "three mechanism" method as a tool to measure the total NSZD rate at a site and to provide an improved understanding of the predominant NSZD mechanism. Overall, this study highlights the importance of LNAPL type and chemical characteristics in determining source zone natural attenuation mechanism and its total rates.

Effects of aluminum (Al) stress on the isoprenoid metabolism of two Citrus species differing in Al-tolerance.

Isoprenoid metabolism and its derivatives took part in photosynthesis, growth regulation, signal transduction, and plant defense to biotic and abiotic stresses. However, how aluminum (Al) stress affects the isoprenoid metabolism and whether isoprenoid metabolism plays a vital role in the Citrus plants in coping with Al stress remain unclear. In this study, we reported that Al-treatment-induced alternation in the volatilization rate of monoterpenes (α-pinene, ß-pinene, limonene, α-terpinene, γ-terpinene and 3-carene) and isoprene were different between Citrus sinensis (Al-tolerant) and C. grandis (Al-sensitive) leaves. The Al-induced decrease of CO2 assimilation, maximum quantum yield of primary PSII photochemistry (Fv/Fm), the lower contents of glucose and starch, and the lowered activities of enzymes involved in the mevalonic acid (MVA) pathway and 2-C-methyl-D-erythritol 4-phosphate (MEP) pathway might account for the different volatilization rate of isoprenoids. Furthermore, the altered transcript levels of genes related to isoprenoid precursors and/or derivatives metabolism, such as geranyl diphosphate (GPP) synthase (GPPS) in GPP biosynthesis, geranylgeranyl diphosphate synthase (GGPPS), chlorophyll synthase (CHS) and GGPP reductase (GGPPR) in chlorophyll biosynthesis, limonene synthase (LS) and α-pinene synthase (APS) in limonene and α-pinene synthesis, respectively, might be responsible for the different contents of corresponding products in C. grandis and C. sinensis. Our data suggested that isoprenoid metabolism was involved in Al tolerance response in Citrus, and the alternation of some branches of isoprenoid metabolism could confer different Al-tolerance to Citrus species.

Sorption and attenuation of petroleum VOCs in five unsaturated soils: Microcosms and column experiments.

The fate of volatile organic compounds (VOC) vapors in the unsaturated zone is the basis for evaluating the natural attenuation potential and vapor intrusion risk. Microcosm and column experiments were conducted to study the effects chemical speciation and soil types/properties on the fate of petroleum VOCs in unsaturated zone. The biodegradation and total attenuation rates of the seven VOCs obtained by microcosm experiments in black soil and yellow earth were also generally higher than those in floodplain soil, lateritic red earth, and quartz sand. The VOC vapors in floodplain soil, lateritic red earth, and quartz sand showed slow total attenuation rates (<0.3 d-1). N-pentane, methylcyclopentane, and methylcyclohexane showed lower biodegradation rates than octane and three monoaromatic hydrocarbons. Volatilization into the atmosphere and biodegradation are two important natural attenuation paths for VOCs in unsaturated soil columns. The volatilization loss fractions of different volatile hydrocarbons in all five unsaturated soils were generally in the order: n-pentane (93.5%-97.8%) > methylcyclopentane (77.2%-85.5%) > methylcyclohexane (53.5%-69.2%) > benzene (17.1%-73.3%) > toluene (0-45.7%) > octane (1.9%-34.2%) > m-xylene (0-5.7%). The fractions by volatilization into the atmosphere of all seven hydrocarbons in quartz sand, lateritic red earth, and floodplain soil were close and higher compared to the yellow earth and black soil. Overall, this study illustrated the important roles chemical speciation and soil properties in determining the vapor-phase transport and natural attenuation of VOCs in the unsaturated zone.

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.

Crystallization and Solvent Evaporation Ionization Mass Spectrometry (CSEI-MS) for Rapid Detection of Drugs in Complex Matrices.

Illegal addition of drugs is common but seriously threatens public health safety. Conventional mass spectrometry methods are difficult to realize direct analysis of drugs existing in some complex matrices such as seawater or soil due to the ion suppression effect and contamination to MS parts caused by nonvolatile salts. In this work, a novel crystallization and solvent evaporation ionization mass spectrometry (CSEI-MS) method was constructed and developed to achieve rapid desalting detection. CSEI only consists of a heated plate and a nebulizer and exhibits excellent desalting performance, enabling direct analysis of six drugs dissolved in eight kinds of salt solutions (up to 200 mmol/L) and three complex salty matrices. Under optimized conditions, CSEI-MS presents high sensitivity, accuracy, linearity, and intraday and interday precision. Finally, this method is applied to the quantitative analysis of drugs in seawater, hand cream, and soil. Furthermore, the highly sensitive detection of CSEI-MS is demonstrated to remain even if the detection processes are conducted within 5 s via common commercial tools.

Data-driven, explainable machine learning model for predicting volatile organic compounds' standard vaporization enthalpy.

The accurate prediction of standard vaporization enthalpy (ΔvapHm°) for volatile organic compounds (VOCs) is of paramount importance in environmental chemistry, industrial applications and regulatory compliance. To overcome traditional experimental methods for predicting ΔvapHm° of VOCs, machine learning (ML) models enable a high-throughput, cost-effective property estimation. But despite a rising momentum, existing ML algorithms still present limitations in prediction accuracy and broad chemical applications. In this work, we present a data driven, explainable supervised ML model to predict ΔvapHm° of VOCs. The model was built on an established experimental database of 2410 unique molecules and 223 VOCs categorized by chemical groups. Using supervised ML regression algorithms, the Random Forest successfully predicted VOCs' ΔvapHm° with a mean absolute error of 3.02 kJ mol-1 and a 95% test score. The model was successfully validated through the prediction of ΔvapHm° for a known database of VOCs and through molecular group hold-out tests. Through chemical feature importance analysis, this explainable model revealed that VOC polarizability, connectivity indexes and electrotopological state are key for the model's prediction accuracy. We thus present a replicable and explainable model, which can be further expanded towards the prediction of other thermodynamic properties of VOCs.