DMSO), N,N-dimethylformamide Research Articles

Enhancing precursor stability with suitable additives to enable blade-coating of organic-inorganic hybrid perovskites at room temperature for efficient perovskite solar modules

In this study, room temperature blade coating organic-inorganic hybrid perovskite (OIHP) films with the precursors made of adding additives such as dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), and N-methyl-2-pyrrolidone (NMP) to the volatile solvent of 2-methoxylethanol (2-ME) were explored. Unlike NMP, DMSO and DMF interact with the perovskites to form Lewis adducts, suggesting important factors beyond the Gutmann donor number and dielectric constant, such as molecular structure, influence adduct formation. The OIHP solar cells made of the precursors with optimized amount of DMSO, DMF and NMP showed the efficiency of 16.5 %, 16.1 % and 8.3 %, respectively. After optimizing the blade-coating process for OIHP film formation by using the Taguchi's method, the optimized OIHP solar modules (active area = 25.2 cm2) achieve PCEs of 14.6 % and 14.1 % with the precursor added 20 mol% DMSO and 30 mol% DMF, respectively. Moreover, the precursor added with DMF demonstrates better storage stability than that of DMSO, achieving the best module PCE of 13.4 % fabricated from the 3-day stored DMF-added precursors, while the module fabricated from the DMSO-added precursor shows a PCE of 9.1 %.

Solvent‐Induced Copper Vacancy in CuSCN Layer: A Strategy to Boost Conductivity and Optimize Energy Levels for Efficient Organic Solar Cells

AbstractCopper(I) thiocyanate (CuSCN) is a prominent wide‐bandgap p‐type semiconductor with desirable transparency and chemical robustness. Whereas intrinsic limitations, such as its relatively low Fermi level (EF) and modest electrical conductivity, have impeded its broader application in organic solar cells (OSCs). This study introduces a novel approach to modify the electronic properties of CuSCN by inducing copper vacancies through the use of specific solvent mixtures, thereby enhancing its suitability for OSCs. The effects of two solvent mixtures, methanol/ammonia (CH3OH/NH4OH) and dimethyl sulfoxide/N,N‐Dimethylformamide (DMSO/DMF) is have systematically investigated, on the CuSCN layer. The findings reveal that these solvent systems induce a higher concentration of copper vacancies within the CuSCN film, resulting in a significant reduction of the EF and a substantial increase in electrical conductivity. These modifications have led to the improved energy level alignment with the PM6:L8‐BO:BTP‐eC9 blended photoactive layers, culminating in a marked enhancement of the power‐conversion efficiencies of 19.10% for the DMSO/DMF processed CuSCN layer. Additionally, it has observed enhanced shelf/thermal stability and thickness tolerance of OSCs based on these CuSCN films. This work not only presents a novel strategy for modifying the performance characteristics of CuSCN but also underscores its potential to contribute to the advancement of photovoltaic technologies.

β-Glucosidase on clay minerals: Structure and function in the synthesis of octyl glucoside

β-Glucosidase is a biological macromolecule that catalyzes the hydrolysis of various glycosides and oligosaccharides. It may also be used to catalyze the synthesis of glycosides under suitable conditions. Carrier-bound β-glucosidase can enhance the enzymatic activity in the synthesis of glycosides in organic solvent solutions, although the molecular mechanism regulating activity is yet unknown. This study investigated the impact of utilizing montmorillonite (Mmt), attapulgite (Attp), and kaolinite (Kao) as carriers on the activity of β-glucosidase from Prunus dulcis (PdBg). When Attp was used as carriers, the molecular dynamic (MD) simulations found the distance between pNPG and the active site residues E183 and E387 was minimally impacted by the adsorptions, hence PdBg maintained about 81.3 ± 0.89 % of its native activity. Out of the three clay minerals, the relative activity of PdBg loaded on Mmt was the lowest because of the highest electrostatic energy. The substrate channel of PdBg on Kao is directed towards the surface, limiting the accessibility of substrates. Secondary structure and conformation studies revealed that the conformational stability of PdBg in solvent solutions was enhanced by coupling to Attp. Unlike dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF) and 1,2-dimethoxyethane (DME), tert-butanol (t-BA) did not penetrate into the active site of PdBg interfering with its binding to the substrate. The maximum yield of n-octyl-β-glucoside (OGP) synthesis catalyzed by Attp-immobilized PdBg reached 48.3 %.

Measurement, correlation, and analysis of the solubility of triethylamine hydrochloride in ten pure solvents

In this work, the solubility of Triethylamine hydrochloride (TEA·HCl) in Ethylene carbonate (EC), Propylene carbonate (PC), Dimethyl carbonate (DMC), Vinylene carbonate (VC), Dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), Methyl isobutyl ketone (MIBK), Methanol, 2-Propanol, 1-Octanol were measured from 293.15 K to 348.15 K under ambient pressure via a static method. Subsequently, the solubility data were correlated with the modified Apelblat Equation, the Van't Hoff Equation, the λh Equation, and the NRTL model. The average relative deviation (ARD), and root-mean-square deviation (RMSD) were introduced to evaluate the correlated data. The findings indicated that, out of the four models, the modified Apelblat model offered the highest correlation. Moreover, using the Van't Hoff Equation, we determined the Gibbs energy, enthalpy, and entropy of TEA·HCl dissolution in each solvent examined, all of which point to a dissolving process that is endothermic and entropy-driven. In the temperature range studied, the solubility of TEA·HCl in selected solvents increased with the rising temperature, and the solubility sequence of TEA·HCl at 298.15 K was Methanol > VC > 2-Propanol > EC > 1-Octanol > DMSO > PC > DMF > MIBK > DMC. In order to understand how TEA·HCl dissolves, density functional theory (DFT) was used to calculate its molecular electrostatic potential (MEP) and solvation free energy. In the meantime, the KAT-LSER model for studying the solvent impact has been presented. This work will provide valuable data references for the purification of TEA·HCl by crystallization.

Reversible Macrocycle-to-Macrocycle Interconversion Driven by Solvent Selection

Macrocycle-to-macrocycle interconversions are of interest because they can allow access to a variety of structures. However, reversible interconversion between different sized macrocycles remains challenging to control. Herein, we report a facile one-pot synthesis of a series of self-assembled macrocycles from readily prepared α,α'-linked oligopyrrolic dialdehydes and various alkyl diamines. The condensation of pyridine-bridged oligopyrrolic dialdehyde 3 and simple alkyl diamines proved independent of solvent, always yielding the [2 + 2] macrocyclic products. However, when 3 was condensed with 2,2'-oxybis(ethylamine) 14, either ([1 + 1] or [2 + 2]) products are obtained depending on the choice of solvent. Reaction of 3 and 14 in methanol, ethanol, or chloroform gave the [1 + 1] macrocycle as the sole product. In contrast, condensation of 3 and 14 in dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), or acetonitrile (MeCN) yielded the [2 + 2] macrocycle as the major product in the form of a precipitate. Reversible interconversion between the [1 + 1] and [2 + 2] macrocycles could be achieved by tuning the solvent, with the ratio driven by thermodynamic and solubility considerations.

Theoretical Analysis of the Role of Water in Ligand Binding to Cucurbit[n]uril of Different Sizes.

The role of water in host-ligand binding was investigated using a combination of molecular dynamics simulation and three-dimensional reference interaction site model theory. Three different hosts were selected (CB6, CB7, and CB8). Six organic molecules were used as representative ligands: dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), acetone, 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO), cyclopentanone (CPN), and pyrrole. From the binding free energy and its components, we divided the ligands into two groups: those with relatively small molecular size (DMSO, DMF, acetone, and pyrrole) and those with relatively large molecular size (DBO and CPN). We established that the solvent water in the CB6 cavity can be completely displaced by small ligands, resulting in a greater binding affinity compared with larger CBs, except in the case of the small pyrrole ligand, due to outstanding intrinsic properties such as the relatively high hydrophobicity and low dipole moment. In the case of the large ligands, the solvent water can be displaced by DBO and CPN in both CB6 and CB7; there were similar tendencies in their binding affinities, with the greatest affinity in the CB7 complexes. However, the tendencies of the binding affinity components are completely different due to the difference between the complex structure and the solvation structure when a ligand binds with a CB structure. The binding affinities suggest that the size fit between the ligand and CB cannot guarantee the greatest binding affinity gain because the binding structure and intrinsic properties of CB and ligand equally play a crucial role.

Determination of water content in dimethyl sulfoxide/N,N-dimethyl formamide and methanol content in ethanol by solvatochromism of azo dye, 2-(tert-butyl)-4-methoxy-6-(naphthalen-1-yldiazenyl) phenol

A novel 2-(tert-butyl)-4-methoxy-6-(naphthalen-1-yldiazenyl)phenol (NAP) was synthesized by coupling reaction of 2-tert-butyl-4-methoxyphenol with diazotized naphthylamine as diazo component. The azo dye was characterized by NMR, FT-IR and UV–vis spectroscopic techniques. The visible spectrum of NAP was recorded in different solvents and at different pHs. NAP exhibited a large wavelength shift with increasing solvent polarity, showing significant color change over a wide range in different solvents. The determination of water content in organic solvents miscible with water such as dimethyl sulfoxide (DMSO)/N,N-dimethyl formamide (DMF) and methanol content in ethanol, which is also a common mixture were investigated with NAP which is azo dye. The present reported solvatochromic compound for the determination of water content in DMSO/DMF and methanol content in ethanol showed a fairly wide linear range compared to some previously reported solvatochromic compounds in the literature. In addition, the solvatochromism of NAP allows the determination of methanol content in ethanol, which has caused many deaths, with a fast, cheap and easy method.

Solvent Effect on the spectral and photophysical properties of the Acridone

UV/Vis absorption, emission, and excitation spectroscopy with various solvents (dimethyl sulfoxide (DMSO), N,N-Dimethylformamide (DMF), and tetrahydrofuran (THF) and Acetone) at two concentrations (10−4 and 10−5) Mol/L were used to investigate the spectra and photophysical properties of Acridone. Using the integrated emission spectra, the fluorescence quantum yields are calculated. The emission maxima were determined using the red absorption band’s positions and bandwidths. The maximum absorption and emission wavelengths were found to be 390–399 nm and 399–413 nm, respectively, resulting in Stokes shifts of 318.05 and 1142.62 cm-1. Fluorescence spectra have a broad spectral range so that as concentration is increased, each peak shifts toward a long wavelength. It has been discovered that as concentrations increase, the quantum efficiency decreases. The fluorescence quantum yield magnitude is affected by solvents, with THF having the highest value.

Metal or metal-free phthalocyanines containing morpholine substituents: synthesis, spectroscopic and photophysicochemical properties

The phthalonitrile (3) and its peripherally tetra 4-(3-morpholinophenoxy) substituted metal-free (4), lead(II) (5) and zinc(II) (6) phthalocyanine derivatives were synthesized. The structures of 3-6 were confirmed by FT-IR, 1H-NMR, MALDI-TOF mass, UV-vis and fluorescence spectral data. The solubility and aggregation behaviors of 4-6 were determined in dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), tetrahydrofuran (THF), chloroform (CHCl3) and dichloromethane (CH2Cl2). The observed sharp absorptions were evidence of formation of non-aggregated phthalocyanine species at the studied concentration. The effects of the substituent and central metal ions (metal-free, zinc or lead) on spectroscopic and photophysicochemical properties were determined. Their photophysicochemical properties such as fluorescence quantum yields and lifetimes, singlet oxygen generation and photodegradation quantum yields were investigated in DMSO. The fluorescence spectra of metal-free (4) and lead(II) (5) phthalocyanines were not recorded due to negligible fluorescence emissions of these phthalocyanines. The zinc(II) phthalocyanine (6) had 0.17 fluorescence quantum yield (ΦF) and 1.42 fluorescence lifetime (τF). The phthalocyanines (4-6) had 0.18, 0.41, 0.52 singlet oxygen quantum yields (ΦΔ) and 0.51, 3.90, 0.46 photodegradation quantum yields (ΦΔ), respectively. The zinc(II) phthalocyanine (6) in particular could be a potential Type II photosensitizer candidate for photodynamic therapy in cancer treatment.

C-Methylation Of Organic Substrates. A Comprehensive Overview. Part IVa. Methylating Agents Other Than Methane, Methanol, and Methyl Metals

: C-Methylation of organic substrates was accomplished with a number of methylating agents other than methane, methanol, and methyl metals. They include methyl halides (MeX, X = I, Br, Cl, F), methyl-containing halogenated reagents, methyl peroxides, dimethyl carbonate (DMC), dimethylsulfoxide (DMSO), N,N-dimethyl formamide (DMF), diazomethane, formate salts, trioxane, CO/H2, CO2/H2, and dimethyl ether (DME). Under particular conditions, some methyl- containing molecules such as polymethylbenzenes, methylhydrazine, tris(diethylamino) sulfonium difluorotrimethylsilicate, methyl tosylate, long-chain alkyl alcohols, and acetic acid unexpectedly C-methylated a variety of organic substrates. A few cases of C-methylation were only reported to occur in the absence of catalysts. Otherwise, transition metal complexes as catalysts in conjunction with specific ligands and bases were ubiquitously present in most C-methylation reactions. Of the reactions, Suzuki-Miyaura-type cross-coupling remained of paramount importance in making 11CH3-bearing positron emission tomography tracers (PETs), one of the best applications of such methylation. Methylation proceeded at C(aromatic)-X, C(sp3)-X C(sp2)-X, and C(sp)-X of substrates (X = H, halogen). Ortho-methylation was regioselectively observed with aromatic substrates when they bear moieties such as pyridyl, pyrimidyl, amide, and imine functionalities, which were accordingly coined ‘ortho-directing groups’.

Temperature-Dependent Crystallization Mechanisms of Methylammonium Lead Iodide Perovskite From Different Solvents

Hybrid perovskites are a novel type of semiconductors that show great potential for solution-processed optoelectronic devices. For all applications, the device performance is determined by the quality of the solution-processed perovskite thin films. During solution processing, the interaction of solvent with precursor molecules often leads to the formation of solvate intermediate phases that may diverge the crystallization pathway from simple solvent evaporation to a multi-step formation process. We here investigate the crystallization of methylammonium lead iodide (MAPbI3) from a range of commonly utilized solvents, namely dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), N-methylpyrrolidone (NMP), and gamma-butyrolactone (GBL) at different temperatures ranging from 40°C to >100°C by in-situ grazing-incidence wide-angle X-ray scattering (GIWAXS) measurements. For all solvents but GBL, we clearly observe the formation of solvate-intermediate phases at moderate processing temperatures. With increasing temperatures, an increasing fraction of the MAPbI3 perovskite phase is observed to form directly. From the temperature-dependence of the phase-formation and phase-decomposition rates, the activation energy to form the MAPbI3 perovskite phase from the solvate-phases are determined as a quantitative metric for the binding strength of the solvent within the solvate-intermediate phases and we observe a trend of DMSO > DMF > NMP > GBL. These results enable prediction of processing temperatures at which solvent molecules can be effectively removed.

Concentration and solvent effects, photochemical and photophysical properties of methyl and tert-butyl zinc(II) and aluminum(III) phthalocyanines

The tetra-methyl and tetra-tert-butyl phthalocyanines were synthesized by cyclotetramerization of phthalonitriles and phthalic anhydride derivatives by traditional and microwave synthesis. Spectroscopic data were obtained for the Zinc(II) and Aluminum(III) derivatives, and solvent effects were investigated in dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), chloroform (CHCl3), methanol (MeOH), and tetrahydrofuran (THF). We have shown that the coordination of the solvent may play a role in the solvent shift. The photophysical and photochemical properties of the studied compounds were investigated in DMSO and DMF. The direct method (analysis of the phosphorescence decay curves of singlet oxygen at 1270 nm) was employed to study singlet oxygen quantum yields. Compounds 6 and 8 showed better results relative to aggregation due to larger substituents and axial ligands. On the other hand, compounds 5 and 7 shown higher singlet oxygen quantum yields because of the central metal ion.

Graphene Synthesis by Ultrasound Energy-Assisted Exfoliation of Graphite in Various Solvents

The liquid-phase exfoliation (LPE) method has been gaining increasing interest by academic and industrial researchers due to its simplicity, low cost, and scalability. High-intensity ultrasound energy was exploited to transform graphite to graphene in the solvents of dimethyl sulfoxide (DMSO), N,N-dimethyl formamide (DMF), and perchloric acid (PA) without adding any surfactants or ionic liquids. The crystal structure, number of layers, particle size, and morphology of the synthesized graphene samples were characterized by X-ray diffraction (XRD), atomic force microscopy (AFM), ultraviolet visible (UV–vis) spectroscopy, dynamic light scattering (DLS), and transmission electron microscopy (TEM). XRD and AFM analyses indicated that G-DMSO and G-DMF have few layers while G-PA has multilayers. The layer numbers of G-DMSO, G-DMF, and G-PA were determined as 9, 10, and 21, respectively. By DLS analysis, the particle sizes, polydispersity index (PDI), and zeta potential of graphene samples were estimated in a few micrometers. TEM analyses showed that G-DMSO and G-DMF possess sheet-like fewer layers and also, G-PA has wrinkled and unordered multilayers.

Facile deposition of high-quality Cs2AgBiBr6 films for efficient double perovskite solar cells

Lead-free double perovskite, Cs2AgBiBr6, with higher stability and lower toxicity than those of its lead counterparts, has been considered a promising alternative for next-generation photovoltaic materials. For practical applications, a facile deposition method that could be used to fabricate high-quality double perovskite films with large grain size is highly desired. However, such kind of facile method has never been established for Cs2AgBiBr6. Herein, high-quality Cs2AgBiBr6 thin films with an average grain size of approximately 0.5 μm were successfully deposited via a simple one-step spin-coating method by using dimethyl sulfoxide (DMSO)-N,N-dimethylformamide (DMF) mixture with optimized volume ratio as the solvent and chlorobenzene (CB) as the antisolvent. On the basis of satisfactory quality of the film, efficient (>1%) Cs2AgBiBr6 perovskite solar cells were constructed. Furthermore, the photo-generated charge-carrier transfer from Cs2AgBiBr6 to the adjacent carrier extraction layers was systematically investigated via femtosecond transient spectroscopies. This study offers a new pathway to acquiring high-quality Cs2AgBiBr6 thin films and provides a useful guide toward the development of high-efficiency double perovskite solar cells in the future.

Determination and Modeling of d-Histidine Solubility in Several Pure Solvents from 293.15 to 333.15 K

Determination of the solubility of d-histidine in neat 1,4-dioxane, n-methyl-2-pyrrolidone (NMP), dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), ethylene glycol (EG), water, isobutanol, n-propanol, n-butanol, cyclohexane, isopropanol, ethanol, and methanol was performed via the shake-flask method at temperatures from 293.15 to 333.15 K under ambient pressure (p = 101.2 kPa). The mole fraction values of d-histidine solubility in the 13 solvents increased with increasing temperature. The highest solubility value of d-histidine was observed in the solvent of DMF, and the lowest, in the solvent of methanol. The acquired solubility data in the selected solvents obeyed the following order: DMF > NMP > DMSO > 1,4-dioxane > water > EG > n-butanol > isobutanol > n-propanol > cyclohexane > isopropanol > ethanol > methanol. The Apelblat equation was used to correlate the determined solubility data. The obtained largest root-mean-square deviation was 1.64 × 10–3, and the largest percentage of average relativ...

Development of Diallylimidazolium Methoxyacetate/DMSO (DMF/DMA) Solvents for Improving Cellulose Dissolution and Fabricating Porous Material.

Cellulose is the most abundant natural biopolymer, with unique properties such as biodegradability, biocompability, nontoxicity, and so on. However, its extensive application has actually been hindered, because of its insolubility in water and most solvents. Herein, highly efficient cellulose solvents were developed by coupling diallylimidazolium methoxyacetate ([A2im][CH3OCH2COO]) with polar aprotic solvents dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), and N,N-dimethylacetamide (DMA). Attractively, these solvents showed extraordinarily powerful dissolution performance for cellulose (e.g., 26.1 g·100g−1) in [A2im][CH3OCH2COO]/DMSO(RDMSO = 1.01 solvent even at 25 °C), which is much more advantageous over previously reported solvents. To our knowledge, such powerful cellulose solvents have not been reported before. The cellulose dissolution mechanism is proposed to be of three combined factors: (1) The hydrogen bond interactions of the H2, H4 and H6 in [A2im]+ and the carboxyl O atom in [CH3OCH2COO]−, along with the hydroxyl H atom and O atom in cellulose, are main driving force for cellulose dissolution; (2) the dissociation of [A2im][CH3OCH2COO] by DMF increases the anion and cation concentrations and thus promotes cellulose dissolution; (3) at the same time, DMF also stabilizes the dissolved cellulose chains. Meanwhile, the porous cellulose material with a varying morphologic structure could be facially fabricated by modulating the cellulose solution concentration. Additionally, the dissolution of cellulose in the solvents is only a physical process, and the regenerated cellulose from the solvents retains sufficient thermostability and a chemical structure similar to the original cellulose. Thus, this work will provide great possibility for developing cellulose-based products at ambient temperatures or under no extra heating/freezing conditions.

Solubility Determination and Modeling of p-Nitrobenzamide Dissolved in Twelve Neat Solvents from 283.15 to 328.15 K

Through the shake-flask method, the solubility of p-nitrobenzamide in 12 pure solvents including n-propanol, ethanol, isopropanol, n-butanol, water, isobutanol, ethyl acetate, acetonitrile, dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), N-methyl-2-pyrrolidinone (NMP), and ethylene glycol (EG) was acquired over a temperature range from 283.15 to 328.15 K at ambient pressure p = 101.2 kPa. The mole fractions of p-nitrobenzamide in the equilibrium liquid phase increased as the temperature increased and had the following order in various solvents: DMSO > DMF > NMP > EG > ethyl acetate > ethanol > isopropanol > n-propanol > isobutanol > acetonitrile > n-butanol > water. They were fitted through the Wilson model, modified Apelblat equation, λh equation, and NRTL model. The maximum root-mean-square deviation value and relative average deviation value gained through the four models were, respectively, 56.69 × 10–4 and 6.55 × 10–2. The relative average deviation values achieved were smaller through the mo...

Solubility Modeling and Solvent Effect of 2-Amino-6-chloropurine in Twelve Neat Solvents

The determination of 2-amino-6-chloropurine solubility in water and 11 organic solvents including dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), 2-butanone, ethylene glycol (EG), n-butanol...

Quantitative evaluation of inhibitory effect of various substances on anaerobic ammonia oxidation (anammox)

The inhibitory effect of 20 substances of various chemical species on the anaerobic ammonia oxidation (anammox) activity of an enrichment culture, predominated by Candidatus Brocadia, was determined systematically by using a 15N tracer technique. The initial anammox rate was determined during first 25min with a small-scale anaerobic batch incubation supplemented with possible inhibitors. Although Cu2+ and Mn2+ did not inhibit anammox, the remaining 18 substances [Ni2+, Zn2+, Co2+, [Formula: see text] , Fe2+, 4 amines, ethylenediaminetetraacetic acid (EDTA), ethylenediamine-N,N'-bis (2-hydroxyphenylacetic acid) (EDDHA), citric acid, nitrilotriacetic acid (NTA), N,N-dimethylacetamide (DMA), 1,4-dioxane, dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF) and tetrahydrofuran (THF)] were inhibitory. Inhibitory effect of NTA, EDDHA, THF, DMF, DMA and amines on anammox was first determined in this study. Inhibitory effects of metals were re-evaluated because chelators, which may interfere inhibitory effect, have been used to dissolve metal salts into assay solution. The relative anammox activities as a function of concentration of each substance were described successfully (R2>0.91) either with a linear inhibition model or with a Michaelis-Menten-based inhibition model. IC50 values were estimated based on either model, and were compared. The IC50 values of the 4 chelators (0.06-2.7mM) and 5 metal ions (0.02-1.09mM) were significantly lower than those of the 4 amines (10.6-29.1mM) and 5 organic solvents (3.5-82mM). Although it did not show any inhibition within 25min, 0.1mM Cu2+ completely inhibited anammox activity in 240min, suggesting that the inhibitory effect caused by Cu2+ is time-dependent.

Solubility modelling and dissolution properties of 5-phenyltetrazole in thirteen mono-solvents and liquid mixtures of (methanol + ethyl acetate) at elevated temperatures

The solid-liquid phase equilibrium of 5-phenyltetrazole in thirteen mono-solvents including methanol, ethanol, n-propanol, isopropanol, acetone, 2-butanone, acetonitrile, ethyl acetate, toluene, 1,4-dioxane, cyclohexane, dimethyl sulfoxide (DMSO), N,N-dimethyl formamide (DMF) and liquid mixtures (methanol+ethyl acetate) were obtained experimentally via the isothermal saturation method within the temperatures from (283.15 to 318.15)K under about 101.2kPa. It was intuitive to notice that the solubility values of 5-phenyltetrazole in studied solvents increased with increasing temperature. The descending order of the solubility data in different mono-solvents was as follows: DMSO>DMF>acetone>methanol>(ethanol, 2-butanone)>isopropanol>n-propanol>1,4-dioxane>ethyl acetate>acetonitrile>toluene>cyclohexane. For the binary solvent mixtures of (methanol+ethyl acetate) with given initial compositions, the maximum solubility was observed in neat methanol. The solubility data in mono-solvents were correlated and calculated by using the modified Apelblat equation and the Buchowski-Książczak λh equation; and in the binary solvent mixtures, by three cosolvency models. The largest values of RAD and RMSD were 1.25% and 4.83×10−4, respectively. The apparent dissolution enthalpy was positive, illustrating that the dissolution process of 5-phenyltetrazole was endothermic. Finally, the preferential solvation parameters (δx1,3) of 5-phenyltetrazole in (methanol+ethyl acetate) mixtures at (293.15–313.15)K were derived by using the inverse Kirkwood–Buff integrals method. The δx1,3 values were positive in methanol-rich compositions and negative in the other regions.