Thermodynamic properties of vitamin B9

doi:10.1016/j.jct.2016.05.001

The Journal of Chemical Thermodynamics

Volume 100, September 2016, Pages 185-190

https://doi.org/10.1016/j.jct.2016.05.001 Get rights and content

Highlights

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Temperature dependence of heat capacity of vitamin B₉ has been measured by precision adiabatic vacuum calorimetry.
•
The thermodynamic functions of the vitamin B₉ have been determined for the range from T → 0 to 333 K.
•
The character of heterodynamics of structure was detected.
•
Enthalpy of combustion of the vitamin B₉ was measured using high-precision combustion calorimeter.

Abstract

In the present work temperature dependence of heat capacity of vitamin B₉ (folic acid dihydrate) has been measured for the first time in the range from (6 to 333) K by precision adiabatic vacuum calorimetry. Based on the experimental values, the thermodynamic functions of the vitamin B₉, namely, the heat capacity, enthalpy H°(T) − H°(0), entropy S°(T) − S°(0) and Gibbs function G°(T) − H°(0) have been determined for the range from T → (0 to 333) K. The value of the fractal dimension D in the function of multifractal generalization of Debye’s theory of the heat capacity of solids was estimated and the character of heterodynamics of structure was detected. Enthalpy of combustion (−8942.8 ± 7.5) kJ·mol⁻¹ of the vitamin B₉ was measured for the first time using a high-precision combustion calorimeter. The standard molar enthalpy of formation in the crystalline state (−1821.0 ± 7.9) kJ·mol⁻¹ of B₉ at 298.15 K was derived from the combustion experiments. Using a combination of the adiabatic and combustion calorimetry results, the thermodynamic functions of formation of the folic acid dihydrate at T = 298.15 K and p = 0.1 MPa have been calculated. The low-temperature X-ray diffraction was used for the determination of coefficients of thermal expansion.

Graphical abstract

Introduction

Folic acid dihydrate (CAS: 75708-92-8) also known as folate (the natural form in body), vitamin M, vitamin B₉, vitamin B_c (or folacin) are essential for numerous bodily functions. The human body needs folic acid to synthesizes DNA and methylates DNA as well as to act as a cofactor in certain biological reactions [1]. Vitamin B₉ exists naturally in a wide variety of foods such as broccoli, cabbage, fruit and nuts. Folic acid is added to grain products in many countries [2].

This work is a continuation of systematic studies of vitamins B. Earlier in the articles [3], [4], [5], we have investigated the thermodynamic properties of vitamins B₂, B₃ and B₁₂. The goals of this work include calorimetric determination of the standard thermodynamic functions of the nicotinic acid with the purpose of describing biochemical and industrial processes with its participation.

Section snippets

Sample

Folic acid dihydrate was purchased from Fluka. We conducted additional recrystallization from an aqueous solution of the substance in order to increase the purity of the folic acid dihydrate. For control of purity of the substance, the mass spectrum of the vitamin B₉ was recorded on a MALDI-TOF mass spectrometer AXIMA Confidence iDplusPerformance (Fig. 1S). For phase identification, an X-ray diffraction pattern of the vitamin B₉ sample was recorded on a Shimadzu X-ray diffractometer XRD-6000

Heat capacity

The $C_{p}^{\circ}$ measurements were carried out between 6 K and 333 K (Table 1S). The mass of the sample loaded in the calorimetric ampoules of the BKT-3.0 device was 0.2949 g. A total of 168 experimental $C_{p}^{\circ}$ values was obtained in two series of experiments. The heat capacity of the sample varied from 20% to 50% of the total heat capacity of calorimetric (ampoule + substance) over the range between 6 K and 333 K. The experimental points of $C_{p}^{\circ}$ within the temperature interval (20–333) K were fitted by means of

Conclusions

The general aim of these investigations is to report the results of the thermodynamic study of the folic acid dihydrate. The heat capacity of this vitamin B₉ is measured over the temperature range from (6 to 333) K. The thermodynamic functions are calculated and the fractal dimension D is evaluated. Thermochemical parameters of formation are determined by combining the data obtained by using combustion calorimetry and heat capacity measurements.

Acknowledgements

The work was performed with the financial support of the Russian Foundation of Basic Research (Project Number 16-03-00288). The work carried out using the equipment center for collective use “New materials and energy saving technologies” (Lobachevsky State university of Nizhni Novgorod, project RFMEFI59414X0005).

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Thermodynamic properties of vitamin B9

Highlights

Abstract

Graphical abstract

Introduction

Section snippets

Sample

Heat capacity

Conclusions

Acknowledgements

Thermochim. Acta

Thermochim. Acta

Thermochim. Acta

J. Chem. Thermodyn.

Thermochim. Acta

Null association between prostate cancer and serum folate, vitamin B6, vitamin B12, and homocysteine

Cancer Epidemiol. Biomarkers Prev.

The effect of folate fortification of cereal-grain products on blood folate status, dietary folate intake, and dietary folate sources among adult non-supplement users in the United States

J. Am. Coll. Nutr.

Crystal structure of folic acid dihydrate

Powder Diffr.

J. Am. Chem. Soc.

Pure Appl. Chem.

Thermodynamic properties of vitamin B₉

Null association between prostate cancer and serum folate, vitamin B₆, vitamin B₁₂, and homocysteine