4 Nitrobenzoic Acid

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Xiaolu Zhang - One of the best experts on this subject based on the ideXlab platform.

  • construction and application of a ternary solid liquid phase diagram of 3 methyl 4 Nitrobenzoic Acid and 3 methyl 2 Nitrobenzoic Acid in methanol and acetone
    Journal of Chemical & Engineering Data, 2020
    Co-Authors: Maolin Ren, Xiaolu Zhang
    Abstract:

    A ternary system solid–liquid equilibrium phase diagram is very useful to design industrial separation and purification operation. The ternary phase equilibrium for 3-methyl-4-Nitrobenzoic Acid (4,...

  • solubility determination and thermodynamic modeling of 3 methyl 4 Nitrobenzoic Acid in twelve organic solvents from t 283 15 318 15 k and mixing properties of solutions
    The Journal of Chemical Thermodynamics, 2016
    Co-Authors: Xiaolu Zhang, Yanting Zhang
    Abstract:

    Abstract Solubilities of 3-methyl-4-Nitrobenzoic Acid in twelve organic solvents of ethanol, isopropanol, n-propanol, n-butanol, methanol, ethyl acetate, toluene, acetone, acetonitrile, 1,4-dioxane, N-methyl-2-pyrrolidone and N,N-dimethylformamide were determined experimentally by using the isothermal saturation method over a temperature range from (283.15–318.15) K under 101.1 kPa. The solubilities of 3-methyl-4-Nitrobenzoic Acid in each solvent increased with the increase in temperature. In general, the solubility obeyed the following order from high to low in different solvents: (N,N-dimethylformamide, N-methyl-2-pyrrolidone) > 1,4-dioxane > acetone > toluene > ethyl acetate > isopropanol > (methanol, ethanol, n-propanol, n-butanol) > acetonitrile. The experimental solubility data of 3-methyl-4-Nitrobenzoic Acid in the selected solvents were correlated by the modified Apelblat equation, λh equation, Wilson model and NRTL model. The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 13.69 × 10−4 and 1.18%, respectively. Generally, the four thermodynamic models were all acceptable for the systems of 3-methyl-4-Nitrobenzoic Acid in these solvents. In addition, the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration ( γ 1 ∞ ) and reduced excess enthalpy ( H 1 E, ∞ ) were calculated. The dissolution process of 3-methyl-4-Nitrobenzoic Acid in the solvents was spontaneous and endothermic. The obtained solubility and thermodynamic studies would be very helpful for optimizing the purification process of 3-methyl-4-Nitrobenzoic Acid.

Weiping Luo - One of the best experts on this subject based on the ideXlab platform.

Yanting Zhang - One of the best experts on this subject based on the ideXlab platform.

  • solubility of 3 methyl 4 Nitrobenzoic Acid in binary solvent mixtures of 1 4 dioxane n methyl 2 pyrrolidone n n dimethylformamide methanol from t 283 15 to 318 15 k experimental determination and thermodynamic modelling
    The Journal of Chemical Thermodynamics, 2017
    Co-Authors: Yunan Qin, Li Bai, Yu Kang, Yanting Zhang
    Abstract:

    Abstract The solubility of 3-methyl-4-Nitrobenzoic Acid (MNBA) in binary (1,4-dioxane + methanol), (N-methyl-2-pyrrolidone (NMP) + methanol) and (N,N-dimethylformamide (DMF) + methanol) solvent mixtures were investigated by the isothermal dissolution equilibrium method under atmospheric pressure. The studies were performed at different mass fractions of 1,4-dioxane, DMF or NMP ranging from 0.1 to 0.9 at temperature T = (283.15 to 318.15) K. The solubility of MNBA in mixed solutions increased with increasing temperature and mass fraction of 1,4-dioxane, DMF or NMP for the three systems including (1,4-dioxane + methanol), (NMP + methanol) and (DMF + methanol). At the same mass fraction of 1,4-dioxane, DMF or NMP and temperature, the solubility of MNBA was greater in (DMF + methanol) than in the other mixed solvents. The obtained solubility data were correlated with Jouyban-Acree model, van’t Hoff-Jouyban-Acree model, modified Apelblat-Jouyban-Acree model, Ma model, Sun model and CNIBS/R-K model. The largest values of relative average deviations (RAD) and the root-mean-square deviations (RMSD) between the experimental and calculated solubility were 4.62 × 10−2 and 2.41 × 10−3, respectively. The calculated solubility with the six models agreed well with the experimental results. On the basis of the solubility obtained, the standard dissolution enthalpy of the dissolution process was calculated. Dissolution of MNBA in these mixed solvents was an endothermic process. The experimental solubility and the models in this study could be helpful in purifying the crude MNBA.

  • solubility determination and thermodynamic modeling of 3 methyl 4 Nitrobenzoic Acid in twelve organic solvents from t 283 15 318 15 k and mixing properties of solutions
    The Journal of Chemical Thermodynamics, 2016
    Co-Authors: Xiaolu Zhang, Yanting Zhang
    Abstract:

    Abstract Solubilities of 3-methyl-4-Nitrobenzoic Acid in twelve organic solvents of ethanol, isopropanol, n-propanol, n-butanol, methanol, ethyl acetate, toluene, acetone, acetonitrile, 1,4-dioxane, N-methyl-2-pyrrolidone and N,N-dimethylformamide were determined experimentally by using the isothermal saturation method over a temperature range from (283.15–318.15) K under 101.1 kPa. The solubilities of 3-methyl-4-Nitrobenzoic Acid in each solvent increased with the increase in temperature. In general, the solubility obeyed the following order from high to low in different solvents: (N,N-dimethylformamide, N-methyl-2-pyrrolidone) > 1,4-dioxane > acetone > toluene > ethyl acetate > isopropanol > (methanol, ethanol, n-propanol, n-butanol) > acetonitrile. The experimental solubility data of 3-methyl-4-Nitrobenzoic Acid in the selected solvents were correlated by the modified Apelblat equation, λh equation, Wilson model and NRTL model. The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 13.69 × 10−4 and 1.18%, respectively. Generally, the four thermodynamic models were all acceptable for the systems of 3-methyl-4-Nitrobenzoic Acid in these solvents. In addition, the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration ( γ 1 ∞ ) and reduced excess enthalpy ( H 1 E, ∞ ) were calculated. The dissolution process of 3-methyl-4-Nitrobenzoic Acid in the solvents was spontaneous and endothermic. The obtained solubility and thermodynamic studies would be very helpful for optimizing the purification process of 3-methyl-4-Nitrobenzoic Acid.

Koichi Tanaka - One of the best experts on this subject based on the ideXlab platform.

  • 3-Hydroxy-2-Nitrobenzoic Acid as a MALDI Matrix for In-Source Decay and Evaluation of the Isomers
    Journal of The American Society for Mass Spectrometry, 2018
    Co-Authors: Yuko Fukuyama, Shunsuke Izumi, Koichi Tanaka
    Abstract:

    In in-source decay (ISD) in matrix-assisted laser desorption/ionization (MALDI)-mass spectrometry (MS), 1,5-diaminonaphthalene (1,5-DAN) is a most frequently used matrix probably due to the highly sensitive detection of fragment ions. 1,5-DAN is a reducing matrix generating c - and z -series ions by N–Cα bond cleavage. However, it is difficult for reducing matrices to distinguish leucine and isoleucine, and generate c _(n-1)-series ions owing to proline (Pro) at residues n . Oxidizing matrices providing a - and x -series ions accompanied by d -series ions by Cα–C bond cleavage solve the problem, but their sensitivity of the ISD fragment ions has been lower than reducing matrices such as 1,5-DAN. Recently, 3-hydroxy-4-Nitrobenzoic Acid (3H4NBA) had been reported as an oxidizing matrix generating a -series ions with higher intensity compared with conventional oxidizing matrices such as 5-nitrosalicylic Acid, but a little lower intensity compared with 1,5-DAN (Anal Chem 88, 8058–8063, 2016). In this study, 3H4NBA isomers (2H3NBA, 2H4NBA, 2H5NBA, 2H6NBA, 3H2NBA, 3H5NBA, 4H2NBA, 4H3NBA, 5H2NBA, and 3H4NBA) were evaluated. All the isomers generated a -series ions accompanied by d -series ions, wherein 3H2NBA, 3H5NBA, 4H2NBA, 4H3NBA, and 5H2NBA were first confirmed as oxidizing matrices for ISD. Among the isomers, 3H2NBA and 4H3NBA generated a -series ions with higher peak intensity compared with 3H4NBA for several peptides. Especially, 3H2NBA generated a -series ions with almost the same or higher intensity, and clearly higher peak resolution compared with c -series ions using 1,5-DAN in several cases. 3H2NBA was expected to contribute to ISD analyses in MALDI-MS as one of the most effective oxidizing matrices. Graphical Abstract ᅟ

  • 3 hydroxy 4 Nitrobenzoic Acid as a maldi matrix for in source decay
    Analytical Chemistry, 2016
    Co-Authors: Yuko Fukuyama, Shunsuke Izumi, Koichi Tanaka
    Abstract:

    In-source decay (ISD) in matrix-assisted laser desorption/ionization (MALDI) is a rapid sequencing method for peptides. 1,5-Diaminonaphthalene (1,5-DAN) is a most frequently used matrix for ISD. However, using 1,5-DAN generates mainly c- and z-series ions by N–Cα bond cleavage, which makes it difficult to distinguish leucine (Leu) and isoleucine (Ile), and frequently lacks c(n–1)-series ions owing to proline (Pro) at residues n. Several oxidizing matrices generating a- and x-series ions accompanied by d-series ions by Cα–C bond cleavage have been reported, but an issue remained concerning their sensitivity. 3-Hydroxy-4-Nitrobenzoic Acid (3H4NBA) has been reported as a matrix for 2-nitrobenzenesulfenyl-labeled peptides by Matsuo et al. (Proteomics 2006, 6, 2042–2049). Here, we used 3H4NBA as an oxidizing matrix for ISD. As a result, numerous a- and d-series ions for amyloid β 1–40 were generated with high sensitivity using 3H4NBA. Each of the two Leu and two Ile was identified by the d-series ions. The sen...

  • 3‑Hydroxy-4-Nitrobenzoic Acid as a MALDI Matrix for In-Source Decay
    2016
    Co-Authors: Yuko Fukuyama, Shunsuke Izumi, Koichi Tanaka
    Abstract:

    In-source decay (ISD) in matrix-assisted laser desorption/ionization (MALDI) is a rapid sequencing method for peptides. 1,5-Diaminonaphthalene (1,5-DAN) is a most frequently used matrix for ISD. However, using 1,5-DAN generates mainly c- and z-series ions by N–Cα bond cleavage, which makes it difficult to distinguish leucine (Leu) and isoleucine (Ile), and frequently lacks c(n–1)-series ions owing to proline (Pro) at residues n. Several oxidizing matrices generating a- and x-series ions accompanied by d-series ions by Cα–C bond cleavage have been reported, but an issue remained concerning their sensitivity. 3-Hydroxy-4-Nitrobenzoic Acid (3H4NBA) has been reported as a matrix for 2-nitrobenzenesulfenyl-labeled peptides by Matsuo et al. (Proteomics 2006, 6, 2042–2049). Here, we used 3H4NBA as an oxidizing matrix for ISD. As a result, numerous a- and d-series ions for amyloid β 1–40 were generated with high sensitivity using 3H4NBA. Each of the two Leu and two Ile was identified by the d-series ions. The sensitivity of the a-series ions using 3H4NBA was a little lower than that of c-series ions using 1,5-DAN. The same tendency was observed for N-acetyl renin substrate and ACTH 18–39. The a-series ions were detected, even at the left side of Pro. The sensitivity of the a-series ions using 3H4NBA was higher than with other existing oxidizing matrices, such as 5-nitrosalicylic Acid and 5-formyl salycilic Acid. The ions were detected over the entire area of the matrix-analyte spot using 3H4NBA. 3H4NBA was confirmed to be a useful oxidizing matrix for ISD, leading to higher sequence coverage of peptides

Sile Shi - One of the best experts on this subject based on the ideXlab platform.

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