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n-Pentanol, a commonly used Volatile organic compounds (VOCs) in industry, is harmful to the environment security and human health. Thus, it is necessary to develop n-pentanol sensors. Herein, spherical (ZTO-S), cubic (ZTO-C) and pseudo-cubic (ZTO-PC) ZnSnO 3 were obtained by changing the ratio of solvent in hydrothermal/solvothermal process. By contrast, the ZTO-PC sensor had a high sensitivity of 135.2 to 100 ppm n-pentanol at 170 °C, a short response time of 0.8 s, and a low detection limit of 10 ppb. Meanwhile, the ZTO-PC sensor displayed superior reproducibility, good humidity resistance and excellent long-term stability. The outstanding sensing performance response of the ZTO-PC sensor is attribute to its high surface adsorbed oxygen content, fast electron mobility and good conductivity, providing abundant active sites and effective gas adsorption platform. In addition, the mechanism of the ZTO-PC sensor for n-pentanol was studied by XPS, GC-MS, and in-situ DRIFTS. After contact with ZnSnO 3 , n-pentanol was first oxidized to n-pentanal and then decomposed into CO 2 and H 2 O. This work well-designed three types of ZnSnO 3 through morphological engineering, providing a hopeful strategy for improving the gas sensitive performance. [ABSTRACT FROM AUTHOR]

A triple-function eutectic solvent additive of N-methylacetamide (NmAc) with LiNO 3 is proposed to enhance the stability and compatibility of carbonate electrolyte. The designed electrolyte effectively manipulates Li+ solvation structure, reduces the generation of highly corrosive HF and constructs stable and flexible interphase layers on both electrodes. [Display omitted] Rational carbonate electrolyte chemistry is critical for the development of high-voltage lithium metal batteries (LMBs). However, the implementation of traditional carbonate electrolyte is greatly hindered by the generation of an unstable electrode interphase and corrosive by-product (HF). Herein, we propose a triple-function eutectic solvent additive of N -methylacetamide (NmAc) with LiNO 3 to enhance the stability and compatibility of carbonate electrolyte. Firstly, the addition of NmAc significantly improves the solubility of LiNO 3 in carbonate electrolyte by forming an eutectic pair, which regulates the Li+ solvation structure and leads to dense and homogenous Li plating. Secondly, the hydrolysis of acidic PF 5 is effectively alleviated due to the strong complexation of NmAc with PF 5 , thus reducing the generation of corrosive HF. In addition, the optimized cathode electrolyte interphase layer decreases the structural degradation and transition metal dissolution. Consequently, Li||LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) cells with the designed electrolyte deliver superior long-term cycle reversibility and excellent rate capability. This study unveils the rationale for incorporating eutectic solvent additives within carbonate electrolytes, which significantly contribute to the advancement of their practical application for high-voltage LMBs. [ABSTRACT FROM AUTHOR]

Solution growth is a promising method for rapidly and stably preparing high-quality silicon carbide (SiC) single crystals. However, the coexistence of polycrystalline parasitism and solid inclusions during the growth of SiC in high-temperature solutions above 1800 °C still poses a serious threat to the quality of single crystals. Herein, we introduce an innovative Mn-based cosolvent for controlling the stable and fast growth of cubic-type silicon carbide (3C–SiC) single crystals at low temperatures. Firstly, our thermodynamic analysis reveals that SiC is the only stable solid compound in the low-temperature solution (1500–1600 °C) of the Si–Mn–C system, which is an important condition for the stable growth of crystals. Compared to typical solvents like Si–Cr, Si–Ti, and Si–Fe, the Si–Mn solvent exhibits the highest solubility and supersaturation for carbon. Secondly, our solubility calculations of SiC in the solvent show that the Mn-rich solvent can significantly increase the solubility of SiC. Thirdly, we successfully grew 3C–SiC single crystals from Si–Mn solution at 1500 °C without other SiC polymorphs produced. Rapid growth of SiC crystals in Mn-rich solution was achieved by modulating the content of Mn. Our work highlights the superiority of Si–Mn cosolvents in facilitating rapid growth of 3C–SiC single crystals at low temperatures. It introduces a novel approach by applying phase diagram calculation techniques to design suitable solvent systems for the solution growth of SiC single crystals. [ABSTRACT FROM AUTHOR]

The study investigated the viability of 3D-printed zirconia specimens created using solvent-based ceramic slurry stereolithography (3S), focusing on their utility in dental ultra-thin laminate veneers. Solvent debinding was employed to minimize defect risks, with the debinding process designed based on thermogravimetric analysis. The study evaluated how solvent debinding affected the microstructural and mechanical properties of the zirconia specimens. Optical properties of 0.1 mm and 0.3 mm thick ultra-thin veneers were characterized, focusing on color parameters and relative translucency (RTP 00) values. Following solvent debinding, the green bodies exhibited noticeable surface pores, although this did not compromise density or dimensional accuracy. The sintered specimens treated with solvent debinding showed a slight increase in tetragonal phases, a significant reduction in surface roughness, and improvements in Vickers hardness and flexural strength. Cell viability tests confirmed more than 90% viability for NIH-3T3 cell lines, highlighting excellent biocompatibility. Veneers with a 0.1 mm thickness demonstrated RTP 00 values between 16.57 and 19.38, and the shade of the dental substrate notably influenced their color. The study demonstrated that the solvent debinding process effectively reduced porosity, consequently improving the mechanical properties of specimens fabricated using the 3S technique. Ultra-thin zirconia veneers produced by this method exhibited high RTP 00 values, indicating their potential suitability for anterior dental applications. Notably, the substrate shade emerged as a critical factor in achieving optimal aesthetic results. [ABSTRACT FROM AUTHOR]

This study aimed to evaluate magnetic fields (MF) and a bio-based solvent as greener alternatives for processing natural astaxanthin from Phaffia rhodozyma biomass. To improve carotenoid production, MF was evaluated using a central composite design (CCD), which demonstrated effectiveness by increasing astaxanthin production by 24.8% and productivity by 78.9% by comparison with the control in validated models. In the context of solid-liquid extraction, an environmental assessment of astaxanthin recovery identified ethanol (EtOH) as a promising and sustainable alternative, with an 89% recovery yield during processing. Furthermore, the study inspired an assessment of the stability of carotenogenic extracts at various temperatures throughout time, providing useful information about antioxidant activity and color parameters during storage. This study is one of the first to incorporate insights into the use of MF application and a bio-based solvent as greener alternatives for processing natural astaxanthin from P. rhodozyma biomass. [Display omitted] • Magnetic fields (MF) were first used in the design of experiments (DoE). • MF application increased the astaxanthin production and astaxanthin productivity. • Recovery of astaxanthin from P. rhodozyma biomass using ethanol is promising. • Astaxanthin thermal degradation was evaluated during storage. • Insights into antioxidant activity and color were assessed during storage. [ABSTRACT FROM AUTHOR]

Porous silica ceramics were prepared by a freeze-casting method using dual solvents as a template, and their microstructure can be regulated by different ratios of solvents. As the camphene content increases, the pore shape gradually changes from prismatic pores to spherical pores, and the pore size first decreases and then increases. A porous silica ceramic showed 76 % porosity and a uniform pore size of 6 µm. It presents excellent thermal insulation properties (thermal conductivity ∼0.17 W m−1 K−1), good compressive strength, and a stable dielectric constant (∼1.48). The results of this work shed light on the promising aerospace application of porous ceramics prepared by freeze-casting using dual solvents as a template. [ABSTRACT FROM AUTHOR]

ZIF-8-templated ZnIn 2 S 4 (ZIS) crystals with different morphologies have been synthesized solvothermally by varying the organic solvents, while thioacetamide (TAA) and L-cysteine (L‐cyst) were used as sulfur precursors. It is found that solvothermal properties, including ions coordination, dielectric constant, and atomic chain length, influence the nucleation and growth of ZIS composites. The differences in morphology and composition of the prepared ZIS crystals strongly affect their photophysical properties and photocatalytic hydrogen evolution reactions (PHER). The hydrogen evolution rates for ZIS composites decrease in the following order: Leaf‐like (EG, TAA) > nanorods (EtOH, TAA) > nanoflowers (EG, L‐cyst) > nanosheets (Gly, TAA) > irregular particles (EDA, TAA) > plate‐like (DETA, TAA). The leaf‐like ZIS‐EG composite prepared using TAA as a sulfur precursor and ethylene glycol (EG) as a solvent shows an excellent PHER performance of 5208 μmol g−1 h−1 (44.91 μmol) with an apparent quantum yield (AQY) of 4.80% at 420 nm. The ZIS‐EG composites with different ZIF‐8 contents (50, 100, 150, and 200 mg) were also investigated for the PHER activity with mixed Na 2 S/Na 2 SO 3 sacrificial agent at λ ≥ 420 nm. It shows that the nature of solvents and sulfur precursors had a significant influence on the morphology, photoabsorption, electrochemical properties, and PHER performance of ZIF‐8‐templated ZIS composites, which complements the knowledge of designing efficient and perspective photocatalysts with enhanced visible‐light‐driven PHER performance. [Display omitted] • Novel morphology-dependent MOF-templated ZIS composites were prepared using a solvothermal approach. • Solvents and sulfur precursors influencing morphology and photocatalytic H 2 -evolution of ZIS composites. • The highest photocatalytic H 2 -evolution was observed for ZIS-EG composite with leaf-like morphology. • The ZIS-EG composite showed long-term cyclic stability and recyclability. • The charge transfer mechanism for enhanced photocatalytic H 2 evolution was proposed. [ABSTRACT FROM AUTHOR]

• Solvent deposition of dissolved solutes on human skin shows that spreading and evaporation rates and (possibly) osmosis govern dermal delivery. • At low doses, aqueous ethanol or dilute nonionic surfactants improve delivery versus water or ethanol alone without impacting the stratum corneum lipid barrier. • Authors recommend these excipients for finite dose testing of pharmaceutical and cosmetic ingredients. This study probes the mechanisms by which volatile solvents (water, ethanol) and a nonionic surfactant (Triton X-100) influence the skin permeation of dissolved solutes following deposition of small doses onto unoccluded human skin. A secondary objective was to sharpen guidelines for the use of these and other simple solvent systems for dermal safety testing of cosmetic ingredients at finite doses. Four solutes were studied – niacinamide, caffeine, testosterone and geraniol – at doses close to that estimated to saturate the upper layers of the stratum corneum. Methods included tensiometry, visualization of spreading on skin, polarized light microscopy and in vitro permeation testing using radiolabeled solutes. Ethanol, aqueous ethanol and dilute aqueous Triton solutions all yielded surface tensions below 36 mN/m, allowing them to spread easily on the skin, unlike water (72.4 mN/m) which did not spread. Deposition onto skin of niacinamide (32 μg·cm−2) or caffeine (3.2 μg·cm−2) from water and ethanol led to crystalline deposits on the skin surface, whereas the same amounts applied from aqueous ethanol and 2 % Triton did not. Skin permeation of these compounds was inversely correlated to the extent of crystallization. A separate study with caffeine showed the absence of a dose-related skin permeability increase with Triton. Permeation of testosterone (8.2 μg·cm−2) was modestly increased when dosed from aqueous ethanol versus ethanol. Permeation of geraniol (2.9 μg·cm−2) followed the order aqueous ethanol > water ∼ 2 % Triton >> ethanol and was inversely correlated with evaporative loss. We conclude that, under the conditions tested, aqueous ethanol and Triton serve primarily as deposition aids and do not substantially disrupt stratum corneum lipids. Implications for the design of in vitro skin permeability tests are discussed. [ABSTRACT FROM AUTHOR]

The bimetallic PdIr/C catalysts with various Pd:Ir ratios and Pd–Ir structures were applied for furfural conversion in 2-propanol solvent under mild conditions (35 °C, 6 bar H 2). Pd/C, Ir/C were also tested. The role of iridium addition is analyzed. The concurrent hydrogenation and acetalization were analyzed. The hydrogen activation of the catalysts was necessary, especially to activate iridium. PdIr/C catalysts gave higher selectivity to furfuryl alcohol (FA) than Pd/C. The surface presence/share of oxidized Ir strongly influenced the selectivity. PdIr/C with 15 or 26 mol% Ir were mostly alloyed-PdIr with surface enriched in Pd and gave FA selectivity (85%), much higher than for Pd/C. The highest TOF and FA selectivity were correlated with lowest H 2 sorption heat, weakest H 2 adsorption strength. PdIr/C containing 5 or 9 mol% Ir with the surface enriched in Ir presenting stronger H 2 adsorption strength, activated acetalization, and significantly suppressed FA formation. The exceptional >99% selectivity to furfural diisopropyl acetal (no formation of furfuryl alcohol) was obtained over monometallic Ir/C catalyst containing only oxidized IrO x on the surface. [Display omitted] • Furfural conversion over bimetallic PdIr/C catalysts with various Pd:Ir. • The PdIr/C offers better selectivity to furfuryl alcohol than Pd/C. • The PdIr alloy structure supports furfural hydrogenation to alcohol. • The presence of IrO x on the surface accelerates acetalization. • Pure furfural diisopropyl acetal is formed over monometallic Ir/C. [ABSTRACT FROM AUTHOR]

Ionic liquids (ILs) is an effective way to convert and remove hydrogen sulfide, H 2 S from natural gas streams. Amine-based ILs have recently been discovered due to their efficiency of removing H 2 S due to their excellent characteristics. However, the selection of potential amine-based ILs from a wide range combination of cations and amine-based anions are rather challenging if performed experimentally. Conductor-like Screening Model for Real Solvents (COSMO-RS) was used for the prediction of liquids thermodynamics such as activity coefficient at infinite dilution, selectivity, capacity and performance index (PI) values to evaluate the performance of each amine-based ILs and determine the most efficient ILs for H 2 S absorption without requiring any experimental data. A total of 42 previously unexplored ionic liquids, amine-based ILs from a combination of 7 amine cations and 6 anions were screened by COSMO-RS model. The findings from COSMO-RS prediction results revealed that ILs without aromatic rings displayed higher efficiencies compared to ILs with aromatic rings. Moreover, N,N,N′,N′-tetramethyl-1,3-propanediamine chloride, [TMPDA][Cl] cation-anion combinations displayed the highest PI value of 52.55 among the screened ILs thus, predicted as the most efficient ILs for H 2 S absorption. The experimental results obtained validated the COSMO-RS predictions with an approximation of ± 4.51% discrepancies between predicted and experimental data. Hence, it is concluded that COSMO-RS can be used for a reliable pre-experimental prediction and amine-based ILs approach has a huge potential for effective H 2 S absorption in industrial applications. [Display omitted] • Successfully screened an effective amine-based ILs for H 2 S absorption using COSMO-RS approach. • The synthesized ABILs possess desirable physical properties for H 2 S absorption. • The predicted results obtained were in agreement with the experimental data. • ILs of [TMPDA][Cl] displayed the highest removal efficiency for H 2 S absorption. [ABSTRACT FROM AUTHOR]

This study evaluated the impact of different solvents and UV post-curing times on properties of 3D printing resins for provisional restorations. The post-processing methods were tested using two solvents (isopropyl alcohol or absolute ethanol) and three UV times (5, 10, or 30 min). The resins tested were Resilab 3D Temp, Printax Temp, and Prizma Bioprov. Microhardness (kgf/mm2), fracture toughness (K IC , MPa√m), surface roughness (Ra, µm), gloss (gloss units), and degree of C C conversion (%DC) were measured (n = 8). All response variables were collected from the same specimen. The specimens were 3D printed using an SLA/LCD printer (150° angulation, 50 µm layer thickness). Light exposure times were adjusted for each material, and the post-processing methods were applied using an all-in-one machine immediately after printing. Data were analyzed using Three-Way ANOVA (α = 0.05). Microhardness was affected by UV post-cure time and 3D resin. Resilab showed higher microhardness with isopropyl alcohol and 30-min UV time, while Printax had higher microhardness with absolute ethanol. K IC was influenced by solvent type, UV time, and 3D resin, with varying effects on different resins. Roughness was affected by 3D resin and UV time, but no significant differences were seen for Resilab or Prizma. Gloss was influenced by 3D resin, and for Prizma, it was lower with specific solvent/UV time combinations. DC was influenced by 3D resin, with each resin behaving differently. Tailoring the combination of 3D resin, solvent washing type, and UV post-curing time is important to achieve optimal mechanical and aesthetic outcomes for restorations. [ABSTRACT FROM AUTHOR]

This study assessed the yield and antioxidant ability of seaweed extracts harvested from the Vietnamese Mekong Delta for the dietary supplementation of whiteleg shrimp, Litopenaeus vannamei. In the first experiment, a two-factor test was randomly designed, including three seaweed types (Chaetomorpha linum , Enteromorpha intestinalis , and Gracilaria tenuistipitata) combined with three solvent types (100°C hot water, 90% methanol, and 90% ethanol). The results indicate that C. linum extracted in hot water had a relatively high yield, total phenolic content, and the best antioxidant capacity, as illustrated by DPPH free radical scavenging, ferric chelating, and ferrous reducing power assays. In the second experiment, a feeding trial used the crude hot water extract of C. linum for juvenile L. vannamei. This experiment consisted of five treatments in which commercial feed was supplemented with crude extract at levels of 0 (control), 0.3, 0.6, 0.9, and 1.2%. Shrimp (mean weight: 0.65 ± 0.09 g) were raised in a total of 15 containers (volume: 500 L) with a density of 200 ind./m3. After 60 days of culture, shrimp survival showed no significant difference across treatments. Moreover, shrimp fed a 0.6% C. linum hot water extract diet had a significantly higher growth rate, production, feed efficiency, and digestive enzyme activity (trypsin, lipase, and amylase) than the control and other groups. Interestingly, polynomial regression revealed that a 0.52% extract diet gave the optimal feed conversion ratio, which was considered the appropriate supplementation level for L. vannamei. [ABSTRACT FROM AUTHOR]

Carbon capture and conversion are becoming increasingly important as atmospheric CO 2 concentrations rise and their adverse effects become increasingly evident. CO 2 conversion/utilization-related research has gained renewed interest on a variety of platforms, including thermal, solar, biological, photochemical, and electrochemical conversions. Electrochemical routes, using suitable catalysts, are potentially suitable for commercial purposes owing to ease of integration with solvent-based carbon capture processes. This paper summarizes and evaluates the studies conducted within the past decade regarding the feasibility of carbon-based supports utilized in electrocatalytic carbon dioxide reduction. CO 2 conversion has been reviewed in a number of reports, focusing on specific sections, such as metallic/bimetallic catalysts, CO 2 solubility, and the fabrication of electrodes and electrochemical cells. The number of publications addressing various carbon-based electrocatalysts is increasing, but these materials have not yet been reviewed. Herein, we are focused on three types of electrocatalyst materials: metals, metal-oxides, non-oxides, and combinations thereof with carbon. The scope of this study includes the following: i) carbon-based materials and how they are characterized by distinctive properties, ii) electrocatalytic CO 2 conversion techniques, and iii) research cases for carbon allotrope-supported composites used in CO 2 reduction. The advancement in analytical tools that provide insight into liquid-phase reactions will benefit the development of catalysts and electrodes that will be effective in converting CO 2 into the desired products. Such developments will also be applicable to other systems involving liquid electrolytes or solvents for performing reactions on catalyst surfaces. • A comprehensive review of carbon-based electrocatalysts for CO 2 conversion. • High conductivity of carbon-based materials is suited for superior charge transfer. • Their large surface areas helps in dispersing and stabilizing active sites. • Transition metal oxides provide a large distribution of products in CO 2 reduction. • Catalysts composition and structure govern CO 2 activity and product distribution. [ABSTRACT FROM AUTHOR]

The crystallite size effect of metal oxides plays a vital role in the field of heterogeneous catalysis research. Herein, CuZnAl catalysts with varying CuO crystallite sizes are synthesized by coprecipitation method employing various solvents. The catalytic performance of CO hydrogenation is studied and the physical and chemical properties of catalysts are characterized by XRD, H 2 -TPR, N 2 adsorption-desorption, and NH 3 /CO 2 -TPD-MS. The results indicate that the different types of solvents can effectively regulate CuO crystallite size, thereby affecting its reducibility and catalytic activity. Most importantly, we observe that CuO crystallite size is positive correlated with reduction temperature and negative correlated with C 2+ OH selectivity. The catalyst employing ethanol as a solvent exhibits the highest CO conversion (22.91 %) and the optimum proportion of C 2+ OH in total alcohols (18.96 %), which indicates that smaller CuO crystallite size facilitates reduction of Cu species and generation of larger pore size as well as suitable acid-basic sites, thereby promoting higher alcohols formation. Therefore, these findings greatly broaden understanding the size effect of CuO, providing a new strategy for rational design Cu-based catalysts for higher alcohols synthesis. [Display omitted] • Solvents show a remarkable influence on crystallite size and reducibility of CuO. • CuO crystallite size is positively related to catalyst reduction temperature. • CuO crystallite size exists negative correlation with the C 2+ OH selectivity. [ABSTRACT FROM AUTHOR]

This study investigates a continuous ultrafiltration (UF)-based diafiltration (DF) method to separate and purify lignin from a deep eutectic solvent (DES) containing lactic acid and choline chloride after biomass delignification. A crossflow setup with a polyether sulfone UF membrane with a molecular weight cut off of 5000 Da was used to evaluate flux decline and fouling in this process. Under different pressure, feed flowrate, lignin, and DES concentrations, lignin rejection is around 0.90. Higher lignin and DES concentrations increase filtration resistance, and thus decrease flux at constant pressure. On the basis of a previously setup model based on dead-end filtration, a modeling approach was further developed to predict the system size required to implement UF-DF on a large scale. The results shows that at a constant pressure, the membrane system's area increases as the cake layer thickness over the membrane's surface increases. [Display omitted] • Consistently high lignin rejection (avg. 0.90) observed under various operational conditions. • Increased flow rate and pressure (up to 10 bar) enhance flux. • Lower lignin concentration leads to higher flux and lower filtration resistance. • DES concentrations below 46 g/L have minimal effect on filtration resistance. • At 229 g/L DES intensified pore-blocking was observed. [ABSTRACT FROM AUTHOR]

In the article, results of dissolution of metal oxides using a natural deep eutectic solvent (NDES or NADES) based on betaine, malic acid and ethylene glycol are presented. The obtained deep eutectic solvent was characterised by determining its physicochemical properties including density, viscosity as a function of temperature. The thermal stability of NADES was also determined. For CuO, equilibrium, kinetics, and thermodynamics of the oxide dissolution process in NADES and H 2 O were determined. Dissolution studies of selected metal oxides including ZnO, MgO, CaO, Fe 2 O 3 in NADES and water were also carried out. It was found that the solubility of the metal oxides was 2 to 100 times higher in NADES compared to the solubility in water, despite the neutral pH of NADES. The study, using XRD and SEM methods, also shows changes in the morphology of particles subjected to dissolution in water and in NADES. The results indicate the possibility of extracting metal oxides by dissolution in NADES. [Display omitted] • Betaine, malic acid and ethylene glycol form a natural deep eutectic solvent NADES. • NADES-based solvent dissolves CuO, ZnO, MgO, CaO, Fe 2 O 3 2-100 times better than H 2 O. • The equilibrium, kinetics, thermodynamics of CuO dissolution in NDES were defined. • The results indicate the possibility of extracting MeO x by dissolution in NDES. [ABSTRACT FROM AUTHOR]

The regeneration of Fischer-Tropsch (FT) catalysts plays a crucial role in sustaining their catalytic activity and longevity in sustainable production processes. This research investigates the effectiveness of various solvents, including n-hexane, n-heptane, toluene, xylene, and the liquid fraction of FT products (LF-FT), for catalyst regeneration and extracting wax from the 15 wt%Co/Al 2 O 3 catalyst. Toluene, with a unique combination of key parameters such as polarity, solubility, boiling point, aromatic structure, and chemical interactions, exhibited the highest wax removal efficiency of 90.6%. However, due to its 41 °C lower boiling point compared to toluene and very similar wax removal efficiency, n-hexane appears as a more energy-efficient and cost-effective option for this process. The regenerated catalysts showed comparable characteristics, including the textural properties (surface area, pore size, and pore volume), crystallinity, and reducibility, to fresh catalysts. The slightly lower reduction temperature in the regenerated catalyst indicates a higher possibility for the formation of cobalt active sites during the catalyst reduction process with hydrogen, leading to an increased potential for higher catalytic activity. The LF-FT, comprising paraffins, iso-paraffins, olefins, napthenes, and aromatics, provided a unique combination of aliphatic and aromatic moieties, enhancing the solubility of both polar and nonpolar components in FT wax and improving the wax removal efficiency to 91.5%. The higher boiling point and operating temperature of the LF-FT also contributed to its better performance. Efficient separation of hydrocarbons from solvents allowed for solvent reusability in subsequent FT wax removal cycles, making it advantageous for large-scale applications. [Display omitted] • Different solvents (n-hexane, toluene, n-heptane, xylene, LF-FT) assessed for FT catalyst regeneration. • Toluene displayed the highest wax removal efficiency, followed by n-hexane, n-heptane, and xylene. • N-hexane emerges as optimal solvent with low boiling point, cost-effective, and energy-efficient for wax extraction.. • Regenerated catalysts matched fresh ones, indicating restored surface properties and accessible cobalt active sites. • LF-FT solvent, with aliphatic and aromatic components, shows promise for FT catalyst regeneration with enhanced solubility. [ABSTRACT FROM AUTHOR]

During non-surgical endodontic retreatment, gutta-percha (GP) solvents are indispensable in difficult cases when used with mechanical removal, however studies comparing their efficacy against different types of GP are limited. The purpose of this study was to investigate the softening effect of three solvents on the conventional (CGP), cross-linked carrier-based (CLGP), and thermoplasticized (TGP) and compare the effect of time on the softening effect of the solvents. Tested GP were embedded in cuboidal blocks of stone with their upper surfaces exposed (1 mm diameter). Three commercial GP solvents based on D-Limonene (DL), Eucalyptol oil (EO), and orange oil (OO) were added to the exposed GP before an indenter (weight = 1Kg) was applied. Using a digital camera, the indentation depth was measured (mm) directly after applying the solvent and indenter (T = 0), and after 1, 2, and 3 min of application (T = 1,2,3). The means of indentation depth were calculated and compared using a two-way analysis of variance and Tukey's post-hoc test to assess the effect of the types of solvent, GP for each application duration, and Friedman's test to evaluate the effect of application duration on the softening effect of solvents. The type of GP (F = 261.43, p < 0.001), type of solvent (F = 3.57, p = 0.015), and application duration (F = 53.088, p < 0.001) were all found to significantly affect GP softening. DL exhibited the highest and only significant effect on CGP after 1 min (p < 0.05), while OO had the only significant effect against CLGP when applied for at least 2 min (p < 0.05). Both OO and EO had significant softening effects on TGP instantly or after 1 min of application, respectively. The results of this study revealed that the softening effect of GP solvents varies depending on their type, their application duration, and the type of GP. [ABSTRACT FROM AUTHOR]

The commercial ZK60 (Mg-5.7 wt%Zn-0.6 wt%Zr) magnesium alloy was used to investigate the effects of organic solvents along with CNTs and graphene on hydrogen absorption characteristics. The ZK60 alloy was plastically deformed via equal channel angular pressing using route B A at 300 °C and processed for 12 passes. The mechanically removed chips of deformed ZK60 alloy were milled with 5 wt% graphene or 5 wt% CNTs along with organic solvents (toluene and cyclohexane) in a high energy ball mill at 1725 rpm for 20 h. The kinetics and hydrogen storage were measured using Sievert's apparatus for five cycles at different absorption/desorption temperatures. At 320 °C/320 °C absorption/desorption temperature, the maximum hydrogen absorption with 5 wt% CNTs and 5 wt% graphene was 7.13 wt% and 7.28 wt%, respectively, reaching more than 98% within 10 min. The additions of CNTs and graphene could significantly reduce the hydrogenation temperature because the hydrogen storage and kinetics at 280 °C/280 °C were very close to 320 °C/320 °C. At 320 °C/320 °C absorption/desorption temperature, the maximum hydrogen absorption of 5 wt% CNTs or 5 wt% graphene with the addition of 1 ml toluene was about 6.5 wt%, and the hydrogen absorption with the addition of 2 ml toluene was reduced to 5.5 wt%. The addition of 2 ml cyclohexane along with CNTs and graphene had maximum hydrogen absorption of 6.3 wt% and 6.9 wt%, respectively, after five cycles of hydrogen absorption/desorption at 320 °C/320 °C. At the same absorption/desorption temperature, the number of cycles had no obvious effect on hydrogen storage and kinetics, indicating the absorbed hydrogen was completely released during the desorption process. • ZK60 alloy was ball milled with CNTs and graphene along with different concentrations of organic additives. • Additions of CNTs and graphene along with toluene & cyclohexane can significantly reduce the hydrogenation temperature. • Toluene and cyclohexane addition with CNTs and graphene has enhanced hydrogenation efficiency. • Maximum hydrogen capacities with CNTs and graphene are higher than 7 wt% at 320 °C/320 °C de/hydrogenation temperature. [ABSTRACT FROM AUTHOR]

Herein, the efficiency of the Co catalyst synthesized in caffeine-based carbon quantum dot-supported material using ethanol solvent was evaluated for H 2 production from the hydrolysis of KBH 4. The chemical compositions and morphology structures of these caffeine carbon dot-supported Co catalysts were carefully characterized by XRD, TEM, BET, EDS, FTIR, XPS, and ICP/OES analyses. XPS, FTIR and EDX analyses showed abundant oxygen atoms on the caffeine carbon dot-supported Co catalyst. It can be attributed to the prevention of aggregation of particles by reducing the average particle size with both caffeine and carbon quantum dots materials. The catalysts prepared in methanol and ethanol solvent by hydrothermal treatment compared to water have significant effects on H 2 production from KBH 4 hydrolysis. The H 2 production rate obtained by Co@MOF-CQD (ethanol) at 30 °C was 17,081 ml min−1g−1. At the same time, the TOF value obtained with 4% KBH 4 for the Co@MOF-CQD (ethanol) was found as 2765 h−1. The reusability of Co@CQD-MOF(ethanol) for the catalytic hydrolysis of KBH 4 for H 2 production was evaluated by six consecutive experiments. [Display omitted] • Accessibility of the active catalyst surface is important for H 2 production rate. • Catalyst particle diameter is vital for H 2 production from KBH 4 hydrolysis. • Catalysts prepared in different solvents are also effective on H 2 production from KBH 4. • Caffeine carbon quantum dot supported Co catalyst was synthesized in ethanol. • H 2 production rate obtained by Co@MOF-CQD (ethanol) was 17,081 ml min−1g−1. [ABSTRACT FROM AUTHOR]

Ammonia is a liquid-phase hydrogen storage medium, and the development of ammonia storage and transportation technology is a great challenge to the utilization of hydrogen energy and green ammonia synthesis technology. In the present work, a series of pyridine derivatives-based deep eutectic solvents (DESs) using pyridine derivatives as novel hydrogen bond acceptors were designed and synthesized for ammonia storage and separation. The experimental and characterization results demonstrated that the DESs composed of binary solid components of 2-aminopyridine (2-NH 2 Py) and resorcinol (Res) exhibited ideal thermal stability, high ammonia absorption capacity (0.185 g NH3 /g DES at 303.15 K) and good NH 3 /CO 2 selectivity (92.2 at 313.15 K and 0.1 MPa). The formation and ammonia absorption mechanisms of DESs were analyzed by NMR, FT-IR spectroscopies and quantum chemical calculations. Pyridine derivatives as novel hydrogen bond acceptors enrich the family of DESs, and provide opportunities for the development of efficient materials for ammonia storage and separation. [Display omitted] • Pyridine derivatives were used as a new hydrogen bond acceptor to prepare DESs. • 2-NH 2 Py/Res (1:2) has a high NH 3 solubility of 0.185 g NH3 /g DES at 303 K. • 2-NH 2 Py plays an important role in stabilizing the structure of DESs. • The superior NH 3 solubility is related to the strong hydrogen-bonding interactions. • 2-NH 2 Py/Res is a promising solvent for NH 3 storage and separation. [ABSTRACT FROM AUTHOR]

• The species profile of VOCs from abundant sources were presented. • The potential tracers of VOCs in different sources were identified. • Abundant α-pinene were found in solid wood furniture manufacturing. • T/X ratio can distinguish painting (<2) from printing (>2) sources. A survey was conducted of the volatile organic compounds (VOCs) released from sources of solvent use, industry activities and vehicle emissions in Guiyang, a capital city of China. Samples were collected by canisters and analyzed by GC-MS-FID. The species profiles of VOCs emitted from sources were obtained. Results showed that xylenes, ethylbenzene, acetone and dichloromethane were the characteristics species for painting, 2-propanol and ethyl acetate for printing, α-pinene for solid wood furniture manufacturing, and 2-butanone for biscuit baking. These characteristics species could be as tracers for the sources respectively. In most of samples from the solvent use, the benzene/toluene (B/T) ratio was less than 0.3, indicating that the ratio could be as the indicator for tracing the solvent use related sources. The results also suggested that the toluene/xylene (T/X) ratio be as the indicator to distinguish the VOCs sources of painting (<2) from the printing (>2). Aromatics contributed the most to ozone formation potential (OFP) of most painting and non-paper printing sources, and oxygen-containing VOCs (OVOCs) were major species contributing to OFP of the sources from food production and paper printing. The OFP of the VOCs emissions from vehicle in tunnels and from other manufactures were dominated by both aromatics and alkenes. The α-pinene could explain 56.94% and 32.54% of total OFP of the VOCs sources from filing cabinet and solid wood furniture manufacturing, which was rarely been involved in previous studies of VOCs source profiles, indicating that the species of concern for VOCs sources are still insufficient at present. [ABSTRACT FROM AUTHOR]

The present work focuses on the recovery of polyphenols from Lombard com cob to develop a new upcycled ingredient. Three different green extraction methods were evaluated using an experimental design approach: a conventional extraction (CSE-HA) and a microwave-assisted extraction (MAE-HA) using hydroalcoholic solvents, and a more innovative MAE method using natural eutectic solvents (MAE-NaDES). From mathematical modelling, three optimized extracts were obtained: CBE-1 from CSE-HA (50.3 % of ethanol, 60 °C, 89.9 min, and 32.7 mL/g solvent solid ratio - SSR), CBE-2 fom MAE-HA (62.4 % ethanol, 88 °C, 5 min, and 42.8 mL/g SSR), and CBE-3 from MAE-NaDES (20 % water content, 90 °C, 5 min, and 20 mL/g SSR). The highest polyphenolic yield, reported as total metabolites content (TMC), was obtained for CBE-2 (TMC=285345.0 ± 3737.67 milli Absorbance unit per second -mAu*s), followed by CBE-1 (TMC=242965.2 ± 3411,5 mAu*s) and CBE-3 (TMC= 108000.2 ± 4530.03 mAu*s). Despite NaDES still appeared as promising solvents, the hydroalcoholic mixtures gave the best recoveries; at the same time, innovative MAE showed to be a sustainable approach, providing high yield within few minutes. [ABSTRACT FROM AUTHOR]

Biorefinery of flavonoid aglycones by natural deep eutectic solvents (NADESs) is a green approach for the valorization of agro-food wastes. Using rutin/quercetin as a model system, this work studies the role of Bronsted acids in deglycosylation of flavonoid glycosides and the sustainable approach to producing aglycone-rich extracts by acidic NADESs. Different NADESs were tested, and the effects of Bronsted acids in catalysis and Hammett acidities were determined. The deglycosylation kinetics of rutin in the choline chloride-citric acid was measured and followed a first-order model with a half-life time (t1/2) of 0.16 h at 90 °C and an activation energy (Ea) of 140.3 kJ mol-1. A two-step one-pot approach was valid to produce quercetin-rich extracts from Sophora japonica buds waste. The quercetin-to-rutin ratio in the acidic NADES extracts was adjustable by changing the heating time. The acidic NADES of ChCl-Citric and quercetin-rich extracts showed low cytotoxicity to Caco-2 cells with EC50 greater than 2000 mg L-1, and the cytotoxicity was mainly determined by citric acid. The study provides a new perspective for the valorization of bioproducts into ready-to-use flavonoid aglycone-rich extracts using acidic NADES. [ABSTRACT FROM AUTHOR]

Dermal absorption of weak electrolytes applied to skin from pharmaceutical and cosmetic compositions is an important consideration for both their efficacy and skin safety. We developed a mechanistic, physics-based framework that simulates this process for leave on applications following solvent deposition. We incorporated this framework into our finite dose computational skin permeation model previously tested with nonelectrolytes to generate quantitative predictions for weak electrolytes. To test the model, we analyzed experimental data from an in vitro human skin permeation study of a weak acid (benzoic acid) and a weak base (propranolol) and their sodium and hydrochloride salts from simple, ethanol/water vehicles as a function of dose and ionization state. Key factors controlling absorption are the pH and buffer capacity of the dose solution, the dissolution rate of precipitated solids into a lipid boundary layer and the rate of conversion of the deposited solid to its conjugate form as the nonionized component permeates and (sometimes) evaporates from the skin surface. The resulting framework not only describes the current test data but has the potential to predict the absorption of other weak electrolytes following topical application. [Display omitted] • Weak electrolytes precipitated on skin as solids redissolve and penetrate the skin. • We model absorption as a function of dissolution rate, skin load and ionization state. • Skin pH recovers exponentially post-dose with a t 1/2 related to dose buffer capacity. • The model is calibrated based on in vitro permeation data for a weak acid and base. • The framework has potential to predict absorption of a wide range of electrolytes. [ABSTRACT FROM AUTHOR]

This study reports the infrared and electronic absorption spectra of amine-containing molecules. We investigate how these spectra differ for molecules in their neutral and ionic forms in gas and astrophysical H 2 O ice. Additionally, we analyze the pure rotational spectra of these molecules in the gas state. These are prebiotic molecules such as propargylamine (C 3 H 5 N), four isomers of C 3 H 7 N (1-aminopropene, 2-propenamine, allylamine, and cyclopropylamine), and two isomers of C 3 H 9 N (n-propyl amine and 2-aminpropane) considered for the study. We analyzed various properties of molecules in different states: gas phase, water solvent, and ionic states. We used the coupled-cluster method (CCSD) with a 6–311++G** basis set for our studies. The rotational constants obtained at this level of theory are well matching with the available experimental determinations. These constants are further used to calculate the rotational spectra and their transitions. The calculated vibrational frequencies of these molecules matched well with experimental results at this level of theory. To study the influence of solvent, we employed the IEFPCM model at the same level of theory. We used the equation of motion coupled cluster theory (EOM-CCSD) at the CCSD/6–311++G** level of theory to examine the electronic absorption spectra. We reported the HOMO-LUMO gap, electronic transitions, and oscillator strength of these transitions. We identified the best lines from microwave and infrared regions to observe these molecules in interstellar environments. All calculations were performed using the Gaussian 16 and PGOPHER program packages. [ABSTRACT FROM AUTHOR]

With the growing need to reduce carbon dioxide (CO 2) emissions, there have been substantial efforts to identify new solvents that can improve the overall performance of chemical-absorption CO 2 capture processes. Given the large number of potential solvents, computer-aided molecular and process design (CAMPD) approaches can play a critical role in accelerating the search for optimal solvents by enabling the systematic exploration of solvent candidates and process conditions. One of the challenges in developing such a framework is the requirement for a process model that can be used to capture the interactions between process performance and solvent structure without significantly increasing its numerical complexity. In the current work, a model for the absorption–desorption of CO 2 is developed using the predictive SAFT- γ -Mie group-contribution approach, allowing the performance of numerous solvents to be assessed without the need for extensive experimental data. In order to avoid convergence difficulties when solving this highly nonlinear model, a tailored initialization strategy is established, using an adapted inside-out algorithm to prime a nonlinear equation solver for each column, providing a good initial guess for the whole flowsheet. Tests on three solvents confirm the robustness of the approach. Building on this enhanced numerical stability, the model is validated by comparison against pilot-plant data, showing good accuracy. A detailed parametric study of the effect of the key process variables is undertaken; the important role of the CO 2 capture rate, of the lean solvent temperature and loading, and of the desorber pressure is highlighted. The results of the parametric study are used to formulate an optimization problem which is successfully solved for four solvents. A large reduction in total annualized cost and energy requirements is achieved by tuning the operating conditions to each solvent considered. The predictive capability, robustness, and reliability of the proposed model and associated initialization strategy open the way for the evaluation of a large number of novel solvents. • A predictive model of CO 2 chemisorption processes applicable to novel solvents. • High degree of numerical stability thanks to a robust initialization strategy. • Key operating parameters identified by techno-economic parametric study. • Optimization of overall process performance for selected amine-based solvents. [ABSTRACT FROM AUTHOR]

A set of global metamodeling uncertainty quantification (UQ) techniques belonging to non-intrusive and forward propagation categories; Polynomial Chaos Expansion (PCE), Kriging, Canonical Low Rank Approximation (LRA), and Polynomial Chaos Kriging (PC-Kriging) and global sensitivity analysis (SA) techniques, Sobol' indices, Borgonovo, and Morris were compared to a benchmark methodology of direct Monte Carlo Simulation (MCS). The comparative analysis was demonstrated on a CO 2 capture absorber model with MEA solvent. Our analysis concluded as follows; (1) although significant variation in the CO 2 capture ratio in the prediction profile is shown, there is no apparent advantage of using a larger sample size via direct MCS except achieving a higher clarity in the output distribution, (2) while a very little effect on the convergence was observed which confirms the number of sample size, the fraction of computational time is enhanced by using Sobol sampling method, (3) the benefit of using metamodeling techniques compared to direct MCS was proven as they provide equal predictions in the output statistical measures with fewer evaluations of the original model and are therefore computationally cheaper, and (4) the global SA results showed Sobol indices is computationally more efficient while sharing similar ranking for the most influential parameter with Borgonovo and Morris. [Display omitted] • We integrated global UQ and SA methodologies with a CO 2 absorber with MEA model. • We performed a comparative analysis of global UQ and SA methodologies. • We compared direct Monte Carlo simulation (MCS) with metamodeling techniques. • We compared sampling strategies, Latin Hypercube, Halton, and Sobol sequence. • We showed ranking of the influential parameter using Sobol, Morris, and Borgonovo. [ABSTRACT FROM AUTHOR]

[Display omitted] The poor water solubility of active pharmaceutical ingredients (APIs) is a major challenge in the pharmaceutical industry. Co-solvents are sometimes added to enhance drug dissolution. A novel group of co-solvents, the Deep Eutectic Solvents (DES), have gained interest in the pharmaceutical field due to their good solvent power, biodegradability, sustainability, non-toxicity, and low cost. In this study, we first provide an overview of all the literature solubility studies involving a drug or API + water + DES, which can be a valuable list to some researchers. Then, we analyze these systems with focus on each individual drug/API and provide statistical information on each. A similar analysis is carried out with focus on the individual DESs. An investigation of the numeric values of the water-solubility enhancement by the different DESs for various drugs indicates that DESs are indeed effective co-solvents, with varying degrees of solubility enhancement, even up to 15-fold. This is strongly encouraging, indicating the need for further studies to find the most promising DESs for solubility enhancement. However, time-consuming and costly trial and error should be prevented by first screening, using theoretical-based or thermodynamic-based models. Based on this conclusion, the second part of the study is concerned with investigating and suggesting accurate thermodynamic approaches to tackle the phase equilibrium modeling of such systems. For this purpose, a large data bank was collected, consisting of 2009 solubility data of 25 different drugs/APIs mixed with water and 31 different DESs as co-solvents at various DES concentrations, over wide ranges of temperatures at atmospheric pressure. This data bank includes 107 DES + water + drug/API systems in total. The solubility data were then modeled according to the solid–liquid equilibrium framework, using the local composition activity coefficient models of NRTL, and UNIQUAC. The results showed acceptable behavior with respect to the experimental values and trends for all of the investigated systems, with AARD% values of 9.65 % and 14.08 % for the NRTL and UNIQUAC models, respectively. In general, the lower errors of NRTL, as well as its simpler calculation process and the requirement of fewer component parameters, suggest the priority of NRTL over UNIQUAC for use in this field. [ABSTRACT FROM AUTHOR]

A mixed metal oxide, ZnMoO 4 has been prepared by the conventional solid-state reaction method, with the help of hydrothermally synthesized solvents of ZnO and MoO 3. The phase purity and surface morphology of the precursors of ZnO and MoO 3 are resolved with the Rietveld refinement and scanning electronic microscopy studies. Structural, morphological, and vibrational modes characterizations associated with the unit cell information of ZnMoO 4 are explained by Rietveld's refined technique of XRD, SEM, and Raman studies, respectively. The anode solvent ZnMoO 4 is subjected to cyclic voltammetry analysis. Hence, the electrochemical impedance spectroscopy (EIS) measurements are recorded between 3.0 and 0.01 V at a scan rate of 0.5 mV s−1 for ZnMoO 4 electrodes as an anode material in LIBs. Here, it has been noticed that the hexagonal-like ZnMoO 4 has high capacity and reasonable cycle stability compared with ordinary ZnMoO 4. An anomalous change in permittivity and tangent loss at T θ =750K in temperature dependent dielectric studies confirm phase transition due to the transformation of molecular groups, MoO 4 (low temperature) triclinic phase into molecular groups, MoO 6 (high temperature) monoclinic phase. The temperature and frequency dependent AC-conductivity at different intervals reveal mechanisms associated with different temperature regions. This study provides an in-depth understanding of the electrical and electrochemical activities of zinc molybdate anode materials in novel applications. [ABSTRACT FROM AUTHOR]

This work is emphasized on the synthesis of WO 3 :Y 2 O 3 nanocomposite involving cetyl trimethylammonium bromide based Deep Eutectic Solvent (DES), for the rapid surface modification of the composite. DESs, being a new class of green solvents, are proved to bring about changes in size, morphologies and porous nature of the nanomaterials. The X-ray diffraction patterns showed the diffraction peaks for both monoclinic WO 3 and cubic Y 2 O 3 in the composite material. The morphologies of the composite material were scanned using SEM and the EDS confirmed the elemental composition of the material. The BET adsorption isotherms proved that DES has played a crucial role in increasing the surface area and pore volume of the composite material. The optical properties were studied using the UV-DRS exhibiting a band gap value of 3.13 eV. The frequency and temperature dependent ac and dc conductivities and dielectric properties of WO 3 :Y 2 O 3 were analyzed. Finally the electrochemical studies of the composite material show a specific capacitance value of 460 Fg-1 at a current density of 2 Ag-1 and also having the percentage capacitance retention of 79.29% for 3050 cycles. [ABSTRACT FROM AUTHOR]

Rotating packed bed (RPB) has recently gained traction as a preferred technology for the absorptive removal of CO 2. In this device, solvent dispersion is the most crucial hydrodynamic parameter that directly affects the liquid-side mass transfer coefficient. The current study focuses on the optimization of the dispersion of monoethanolamine (MEA), a commonly used CO 2 absorption solvent, in the RPB. Computational fluid dynamics (CFD) model was developed and validated against the published experimental data. The validated model was used to investigate the effect of operational parameters such as solvent concentration, rotational speed of the packed bed, inlet velocity, and the contact angle of packing material on MEA dispersion. The liquid dispersion of MEA was modeled using response surface methodology (RSM), artificial neural network (ANN) and adaptive neuro-fuzzy inference systems (ANFIS). The comparison of the modeled data revealed that ANN has the least mean square error (0.16) and is, therefore, the most capable model to predict the liquid dispersion of MEA in the RPB. Based on the ANOVA analysis, the inlet velocity of MEA is found to be an insignificant parameter and, therefore, does not contribute significantly to the liquid dispersion of MEA in the RPB. At optimized operating conditions, the MEA dispersion increased from 5346 to 10485 m−1 , thus enhancing the physical absorption of CO 2 up to eight times. CFD coupled with ANN for the prediction and RSM for the optimization of liquid dispersion can be employed to optimize industrial-scale RPB for the effective absorptive removal of CO 2. [Display omitted] • Liquid dispersion was optimized using Response Surface Methodology (RSM) based computational Fluid Dynamics (CFD) simulation. • ANOVA analysis revealed that solvent's inlet velocity is not a significant factor while optimizing the liquid dispersion. • Solvent-packing contact angle and the rotational speed of the packing have a very prominent effect on the liquid dispersion. • The liquid dispersion of MEA was almost doubled and CO 2 absorption was enhanced up to eight times at optimized operational conditions. [ABSTRACT FROM AUTHOR]

In this study, the surfaces of coal ash particles were activated via a planetary ball mill-assisted mechanochemical process by utilizing balls that were made from different materials such as zirconia, alumina, and iron. The influence of ball materials on particle morphology, crystallinity, chemical structure, and elution of Si and Al ions in alkali solvents were systematically investigated for the first time, during when the impact energy and friction force induced on the coal ash surface was also clarified in details via the assistance of a self-constructed system. It was found that the mechanochemical process performed with zirconia and iron balls featured a preferred "grinding effect" with decreasing particle size and increasing specific surface area. This was due to the efficiently impact energy induced. In contrast, alumina balls featured an "activation effect" by inducing crystal distortion on the surface and thereby, promoting the ion elution within the alkaline solvents. [ABSTRACT FROM AUTHOR]

Using ionic liquids to capture CO to produce high-purity hydrogen (H 2) is a promising method. However, there is a lack of theoretical screening for CO capture, which can reduce the number of experiments and costs. In addition, ionic liquids need to reduce their viscosity and maintain an excellent CO capture effect. Therefore, The COSMO-RS was used to screen 300 ionic liquids using CO/H 2 selectivity and viscosity at 293.15 K as indicators. The results showed that the target ionic liquid screened was [EimH][CuCl 2 ]. The addition of ethylene glycol (EG) reduced the viscosity of [EimH][CuCl 2 ] and improved the CO capture ability. After adding 25 wt% EG, its separation factor of CO/H 2 could reach 180 at 293.15 K and 2.1 MPa, which was 59% higher compared to the pure ionic liquid. Furthermore, EG inhibits foaming, and the mixed solvent could maintain high stability after recycling. [Display omitted] • Solvent screening from 300 ionic liquids by COSMO-RS. • Mechanistic analysis by σ -profiles and Infrared spectroscopy. • Solvent improvement by addition of ethylene glycol to protic ionic liquid. • Experiments show the CO/H 2 separation factor using mixed solvent reach 180. [ABSTRACT FROM AUTHOR]

The most used oil deasphalting processes are Residuum Oil Supercritical Extraction Kerr-McGee (ROSE), thermal hydrocracking, and liquid-liquid extraction at lower temperatures from 100° to 150°C. All these processes require a large amount of thermal energy, in which the growing global demand for energy emerges the need to improve more efficient, economical, and environmentally friendly techniques. This work proposes a cold extraction asphaltenes process from oil. In addition to removing asphaltenes, the solubilization of asphaltenes in two Deep Eutectic Solvents (DES) (Thymol:C 8 Ac. and Menthol:Thymol) is proposed. These solvents have the advantage of lower toxicity, recyclability, and chemical and thermal stability. The study of the use of these solvents in the oil industry is recent and has shown great potential for its application on a large scale. These asphaltenes were solubilized without saturation up to an initial concentration of 7 g/L, maintaining solubilization for 48 h. These results are a basis for future studies on a pilot scale for industrial application and bioconversion of asphaltenes into value-added products. [Display omitted] • High-efficiency post-salt oil cold clearance process was carried out. • Deep eutectic solvents Thymol:Octanoic Acid (C 8 Ac.) and Menthol:Thymol exhibit high stability in asphaltenes solubilization. • A sustainable approach for solubilizing asphaltenes was proposed. [ABSTRACT FROM AUTHOR]

• Diamine functional groups were successfully incorporated into the CPM-5 frameworks. • This is the first report utilizing CPM-5 modified with diamine groups in cycloaddition reactions. • The Lewis acid-base dual sited of CPM-5-PhDA are active sites for fixation of CO 2 to cyclic carbonates. • The synthesized 3D porous catalyst exhibits high catalytic activity for cycloaddition of CO 2 with epoxide in the absence of co-catalyst and solvent. In the present work, functional diamine groups into indium frameworks to synthesize cyclic carbonates from CO 2 and epoxides with efficient catalytic activity in the absence of co-catalyst and solvent are reported for the first time. Crystalline porous materials (CPM)-5 modified with 1,2-phenylene diamine and ethylene diamine (CPM-5-PhDA and CPM-5-EDA), were prepared using a post-synthetic modification (PSM) method. The properties of the modified CPM-5 were characterized by powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), N 2 -adsorption, scanning electron microscopy (SEM), CO 2 adsorption, and temperature programmed desorption TPD methods. The presence of diamine groups as basic sites and indium Lewis acid sites in the framework structure were desirable for high catalytic activity. For a given catalyst weight, CPM-5-PhDA was the best candidate to appear with great catalytic activity and selectivity for the cycloaddition reaction at 100°C and 1 MPa CO 2 under co-catalyst and solvent free conditions. CPM-5-PhDA also was found to afford large and bulky epoxides. The catalyst can be easily separated and reused five times without any decline in activity. [Display omitted] [ABSTRACT FROM AUTHOR]

Sida rhombifolia is a medicinal plant known to have antigout properties and is widely used in traditional medicine. The potential of S. rhombifolia as an antigout arises from the presence of bioactive metabolites contained therein. The composition and concentration of these metabolites in S. rhombifolia can vary due to the use of different extracting solvents, so it is important to evaluate an effective extractive solvent with a high level of biological activity. In this study, we evaluated differences in the metabolite profiles using liquid chromatography high resolution mass spectrometry (LC HRMS)-based metabolomics, antioxidant activity, and xanthine oxidase inhibition of S. rhombifolia using ethanol solvents with different concentrations. S. rhombifolia was extracted using ethanol p.a., 70% ethanol, 50% ethanol, 30% ethanol, and water. Each extract was analyzed using LC HRMS and determined its DPPH free radical scavenging activity and xanthine oxidase inhibition. A total of 34 metabolites were putatively identified using LC HRMS. Principal component analysis (PCA) can clearly distinguish each sample based on the extraction solvent. Hierarchical cluster analysis (HCA) heatmap illustrates the variation of metabolite composition in each sample. The DPPH free radical scavenging activity of S. rhombifolia extract ranged from 31.08 to 40.28%, while the xanthine oxidase inhibition activity ranged from 15.15 to 42.67%. Based on the data obtained, it can be concluded that the extracting solvent concentration significantly affects the metabolite profile, DPPH free radical scavenging activity, and inhibition of xanthine oxidase of S. rhombifolia. [Display omitted] • Different extracting solvents could affect the metabolite profile in Sida rhombifolia. • Metabolite profiling of Sida rhombifolia by UHPLC-Q-Orbitrap HRMS. • Inhibition of xanthine oxidase by Sida rhombifolia extracts. [ABSTRACT FROM AUTHOR]

[Display omitted] Solubility is a critical parameter in drug formulation to achieve the desired therapeutical concentration. Most drugs are weak acids or bases and, therefore, exhibit low solubility and poor oral availability. The main aim of this work is the use of Deep Eutectic Systems (DESs) for improving the solubility of drugs in aqueous medium. In this case, we use DESs formed by choline chloride and sugars (xylitol, fructose, glucose and sorbitol) at different proportions of water. These compounds present low toxicity, and thus can be used in syrups or liquid formulations. Different physicochemical properties, such as density, refractive index, and surface tension, were obtained. In addition, a rheological study of the different systems was carried out. Finally, these DESs were applied to analyse the solubility of the following active principles: caffeine (Class I) and furosemide (Class IV) of the Biopharmaceutics Classification System (BCS). The selection of the drugs attends to different reasons. On one hand, we want to develop a new liquid formulation for model drug furosemide and, on the other hand, the study of caffeine, instead, will be used as a model for comparing purposes. Solubility results show that the systems that best solubilize caffeine are those with the highest water content; however, they do not reach the levels of solubility of pure water. On the other hand, for furosemide, a great increase in solubility was observed, especially for systems formed by xylitol and, fundamentally, in the system with the lowest water content. Obtaining an increase in solubility of up to 4530 times. These systems provide an opportunity to improve the formulation of drugs in the liquid medium of active ingredients that are poorly soluble in an aqueous medium. [ABSTRACT FROM AUTHOR]

As a new generation of green solvents, deep eutectic solvents (DESs) are considered a promising alternative to current harsh organic solvents and find application in many chemical processing methods such as extraction and synthesis. DESs, normally formed by two or more components via various hydrogen bond interactions, offer high potential as medium for biocatalysis reactions where they can improve efficiency by enhancing substrate solubility and the activity and stability of the enzymes. In the current study, the stabilization of Humicola insolens cutinase (HiC) in natural deep eutectic solvents (NADESs) was assessed. The best hydrogen bond donor among sorbitol, xylitol, erythritol, glycerol and ethylene glycol, and the best acceptor among betaine, choline chloride, choline acetate, choline dihydrogen citrate and tetramethylammonium chloride, were selected, evaluating binding energies and molecular orientations through molecular docking simulations, and finally used to prepare NADES aqueous solutions. The effects of component ratio and NADES concentration on HiC thermostability at 90 °C were also investigated. The choline dihydrogen citrate:xylitol, in a 1:1 ratio with a 20 wt% concentration, was selected as the best combination in stabilizing HiC, increasing its half-life three-fold. [Display omitted] • Computational approach guided NADES component selection for cutinase stabilization. • Thermostability of cutinase in different NADESs at 90°C was explored. • A three-time increase in half-life at 90°C was achieved in 20% choline dihydrogen citrate: xylitol (1:1). [ABSTRACT FROM AUTHOR]

2-methylfuran from the hydrogenation of furfural could be a viable green route to get synthetic gasoline or to be used as a blending fuel. However, it is currently produced as a by-product during the gas phase production of furfuryl alcohol using Cu catalysts, presenting fairly low productivities, while due to the complexity of the reaction, other more active metals lead mostly to by-products. Recently, solvents and promoters have been demonstrated to be useful for tuning the kinetics of the reaction. Here, to speed up the industrialization of 2-methylfuran, 48 commercial catalysts, involving the use of Cu, Ni, Co, Ir, Pt, Pd, Rh, Ru, and Re on several supports and different metallic loadings, were tested employing a high-throughput approach in the liquid phase at 60, 120 and 180 °C, using ethyl acetate, chlorobenzene, ethyl acetate, n-heptane and two mixed solvents involving a 0.5 w.t. % CHCl 3 /n-heptane and a 20 w.t. % isopropanol/n-heptane mixture. Among the selected catalysts, the top performing ones, in order of importance, were Ir/C, allowing up to 89 % 2-methylfuran yields, followed by Ni/Al 2 O 3 in the presence of chlorine as a promoter, and Cu/ZnO/Al 2 O 3. Besides relations between the achieved yields, active metal loadings, and support effects, useful correlations have been investigated between activity, selectivity, and solvents polarity. • Commercial Ir catalysts selectivly produces 2-methylfuran in non-polar solvents. • Cu, Ir boost 2-methylfuran selectivity as solvent polarity decreases. • 48 commercial catalysts tested in liquid phase, broadening prior studies. • Ir/C, Ni/Al 2 O 3 with Cl, and Cu/ZnO/Al 2 O 3 excel in 2-methylfuran production at 180 °C. [ABSTRACT FROM AUTHOR]

Rice bran (RB) oil extraction was performed by applying renewable solvents like ethanol and ethyl acetate. To assess the interaction of these solvents with the oil, the UNIFAC model was chosen to determine the infinite dilution activity coefficient. Soxhlet extraction was utilized to determine the maximum possible yield. The adequacy of the experimental data to mass transfer kinetic and thermodynamic models was investigated with response surface methodology. By the theoretical adjustment, statistical parameters (R ² adj of 0.9398 for ethanol and 0.8525 for ethyl acetate) showed that the temperature and solvent/RB ratio have a notable influence on oil extraction. The experimental data agreed with the kinetic model based on solid-liquid mass transfer. The thermodynamic study showed that both solvents have endothermic, spontaneous, and irreversible processes. Interestingly, ethyl acetate had higher extraction yields at the beginning and reached its highest yield in a shorter time interval due to better compatibility with oily compounds present in rice bran and its lower viscosity. [Display omitted] • Rice bran oil extraction was conducted using ethanol and ethyl acetate as solvents. • RSM was used to evaluate the effects of temperature and solvent/rice bran ratio. • Ethyl acetate was found to have a lower ln(IDAC) compared to ethanol. • The mass transfer kinetic model accurately predicted the experimental data. • The extraction yield was higher when using ethyl acetate as the solvent. [ABSTRACT FROM AUTHOR]