Comparison of oil-in-water emulsions prepared by ultrasound,high-pressure homogenization and high-speed homogenization

This study was designed to compare the properties of myofibrillar protein (MP) stabilized soybean oil-in-water emulsions fabricated by ultrasound-assisted emulsification (UAE), high-pressure homogenization (HPH) and high-speed homogenization (HSH). The emulsion properties, droplet characteristics, interfacial proteins, protein exposure extent, microrheological properties, multiple light scattering results, and 7 d storage stabilities of the three emulsions were specifically investigated. Our results indicate that UAE and HPH were better emulsification methods than HSH to obtain high-quality emulsions with higher emulsifying activity index (UAE 20.73 m²·g⁻¹, HPH 11.76 m²·g⁻¹ and HSH 6.80 m²·g⁻¹), whiteness (UAE 81.05, HPH 80.67 and HSH 74.09), viscosity coefficient (UAE 0.44 Pa·sⁿ, HPH 0.49 Pa·sⁿ and HSH 0.22 Pa·sⁿ), macroscopic viscosity index (UAE 2.31 nm⁻²·s, HPH 0.38 nm⁻²·s and HSH 0.34 nm⁻²·s), and storage stability, especially for the UAE. Furthermore, UAE was a more efficient emulsification method than HPH to prepare the fine MP-soybean oil emulsion. The protein-coated oil droplets were observed in the three emulsions. The emulsion droplet size of the UAE-fabricated emulsion was the lowest (0.15 μm) while the interfacial protein concentration (93.37%) and the protein exposure extent were the highest among the three emulsions. During the 7 d storage, no separation was observed for the UAE-fabricated emulsion, while the emulsions fabricated by HPH and HSH were separated after storage for 5 d and 2 h. Therefore, this work suggests that UAE could be a better method than HPH and HSH to fabricate MP-soybean oil emulsion.     

Effects of ultrasound treatment on the morphological characteristics,structures and emulsifying properties of genipin cross-linked myofibrillar protein

Genipin is a natural crosslinker that improves the functional properties of proteins by modifying its structures. This study aimed to investigate the effects of sonication on the emulsifying properties of different genipin concentration-induced myofibrillar protein (MP) cross-linking. The structural characteristics, solubility, emulsifying properties, and rheological properties of genipin-induced MP crosslinking without sonication (Native), sonication before crosslinking (UMP), and sonication after crosslinking (MPU) treatments were determined, and the interaction between genipin and MP were estimated by molecular docking. The results demonstrated that hydrogen bond might be the main forces for genipin binding to the MP, and 0.5 μM/mg genipin was a desirable concentration for protein cross-linking to improve MP emulsion stability. Ultrasound treatment before and after crosslinking were better than Native treatment to improve the emulsifying stability index (ESI) of MP. Among the three treatment groups at the 0.5 μM/mg genipin treatment, the MPU treatment group showed the smallest size, most uniform protein particle distribution, and the highest ESI (59.89%). Additionally, the highest α-helix (41.96%) in the MPU + G5 group may be conducive to the formation of a stable and multilayer oil–water interface. Furthermore, the free groups, solubility, and protein exposure extent of the MPU groups were higher than those of UMP and Native groups. Therefore, this work suggests that the treatment of cross-linking followed by ultrasound (MPU) could be a desirable approach for improving the emulsifying stability of MP.     

Effect of polyphenolic structure and mass ratio on the emulsifying performance and stability of emulsions stabilized by polyphenol-corn amylose complexes

O/W emulsions stabilized by polyphenol/amylose (AM) complexes with several polyphenol/AM mass ratios and different polyphenols (gallic acid (GA), epigallocatechin gallate (EGCG) and tannic acid (TA)) were prepared by a high-intensity ultrasound emulsification technique. The effect of the pyrogallol group number of polyphenols and the mass ratio of polyphenols/AM on polyphenol/AM complexes and emulsions was studied. The soluble and/or insoluble complexes gradually formed upon adding polyphenols into the AM system. However, insoluble complexes were not formed in the GA/AM systems because GA has only one pyrogallol group. In addition, the hydrophobicity of AM could also be improved by forming polyphenol/AM complexes. The emulsion size decreased with increasing pyrogallol group number on the polyphenol molecules at a fixed ratio, and the size could also be controlled by the polyphenol/AM ratio. Moreover, all emulsions presented various degrees of creaming, which was restrained by decreasing emulsion size or the formation of a thick complex network. The complex network was enhanced by increasing the ratio or pyrogallol group number on the polyphenol molecules, which was because the increasing number of complexes was adsorbed onto the interface. Altogether, compared to GA/AM and EGCG/AM, the TA/AM complex emulsifier had the best hydrophobicity and emulsifying properties, and the TA/AM emulsion had the best emulsion stability.     

Formation of soybean protein isolate-hawthorn flavonoids non-covalent complexes: Linking the physicochemical properties and emulsifying properties

In recent years, more and more attention had been paid to the combination of proteins and flavonoids, and several flavonoids had been reported to improve the physicochemical and emulsifying properties of proteins. This study investigated the effects of ultrasonic treatment (450 W for 10 min, 20 min, and 30 min) on the physicochemical properties, antioxidant activity, and emulsifying properties of soy protein isolate (SPI) -hawthorn flavonoids (HF) non-covalent complexes. The results showed that the addition of HF to SPI and 20 min of ultrasound could reduce α-helix and random coil, increase β-sheet and β-turn, and enhance fluorescence quenching. In addition, it decreased the particle size, zeta potential, surface hydrophobicity, and turbidity to 88.43 or 95.27 nm, −28.80 mV, 1250.42, and 0.23, respectively. The protein solubility, free sulfhydryl group, antioxidant activity, emulsifying activity index, and emulsifying stability index all increased to 73.93%, 15.07 μmol/g, 71.00 or 41.91%, 9.81 m²/g, and 67.71%, respectively. Moreover, high-density small and low-flocculation droplets were formed. Therefore, the combined ultrasound treatment and addition of HF to SPI is a more effective method for protein modification compared to ultrasound treatment alone. It provides a theoretical basis for protein processing and application in the future.     

Covalent binding of ultrasound-treated japonica rice bran protein to catechin: Structural and functional properties of the complex

Due to the existence of many disulfide bonds in japonica rice bran protein (JRBP) molecules, their solubility is poor, which seriously affects other functional properties. To improve the functional characteristics of JRBP molecules, they were processed by ultrasound technology, and JRBP-catechin (CC) covalent complex was prepared. The structural and functional properties of indica and japonica rice bran proteins and their complexes were compared; furthermore, the changes in the structural and functional properties of JRBP-CC under different ultrasound conditions were investigated. The results showed that compared with indica rice bran protein (IRBP), the secondary structure of JRBP-CC was very different, the water holding capacity (WHC) was higher, and the emulsification performance was better. Different ultrasound conditions had different effects on the functional properties of JRBP-CC. When the ultrasound power was 200 W, the λ_max redshift of the JRBP-CC complex was the most significant, the particle size was the smallest, the absolute value of the zeta potential was the largest, and the hydrophobicity and microstructure of the JRBP-CC complex were the best. Concurrently, the maximum WHC and oil holding capacity (OHC) of JRBP-CC under these conditions were 7.54 g/g and 6.87 g/g, respectively. Moreover, the emulsifying activity index (EAI) and emulsifying stability index (ESI) were 210 m²/g and 47.8 min, respectively, and the scavenging activities of 1,1-diphenyl-2-picrylhydrazyl (DPPH) and ABTS⁺ were 71.96 % and 80.07 %, respectively.     

Influence of milk fat globule membrane and milk protein concentrate treated by ultrasound on the structural and emulsifying stability of mimicking human fat emulsions

The primary objective of the present study was to investigate the effectiveness of ultrasonic treatment time on the particle size, molecular weight, microstructure and solubility of milk fat globule membrane (rich in phospholipid, MPL) and milk protein concentrate (MPC). The mimicking human fat emulsions were prepared using modified proteins and compound vegetable oil and the structural, emulsifying properties and encapsulation efficiency of emulsions were evaluated. After ultrasonic treatment, the cavitation caused particle size decreased and structure change of both MPL and MPC, resulting in the enhancement of protein solubility. While, there was no significant change in molecular weight. Modified proteins by ultrasonic may cause a reduction in particle size and an improvement in emulsifying stability and encapsulation efficiency of emulsions. The optimal ultrasonic time to improve functional properties of MPL emulsion and MPC emulsion were 3 min and 6 min, respectively. The emulsifying stability of MPL emulsion was superior to MPC emulsion, which indicated that MPL is more suitable as membrane material to simulate human fat. Therefore, the obtained results can provide basis for quality control of infant formula.     

Enhancement effect of lithium bonding on the strength of pnicogen bonds: XH2P···NCLi···NCY as a working model (X = F,Cl; Y = H,F, Cl,CN)

MP2 calculations with aug-cc-pVDZ basis set were used to analyse intermolecular interactions in XH₂P···NCLi···NCY triads (X = F, Cl; Y = H, F, Cl, CN) which are connected via pnicogen bond and lithium bond. To understand the properties of the systems better, the corresponding dyads are also studied. Molecular geometries and interaction energies of dyads, and triads are investigated at the MP2/aug-cc-pVDZ computational level. Particular attention is paid to parameters such as cooperative energies and many-body interaction energies. All studied complexes, with the simultaneous presence of a lithium bond and a pnicogen bond, show cooperativity with energy values ranging between ?4.73 and ?8.88 kJ mol^?1. A linear correlation was found between the interaction energies and magnitude of the product of most positive and negative electrostatic potentials. According to energy decomposition analysis, it is revealed that the electrostatic interactions are the major source of the attraction in the title complexes.     

Combination of ultrasound-treated 2D g-C3N4 with Ag/black TiO2 nanostructure for improved photocatalysis

Herein, nanosheets of g-C₃N₄ (CN), prepared using a green ultrasonication process under various conditions, were combined with Ag/black TiO₂ nanocomposites (AgBT) to create two-dimensional (2D) CN/Ag/black TiO₂ tri-composites (CNAgBT). The thickness of the CN sheets varied with the ultrasonication conditions. The CNAgBT sample prepared using ultrasound-treated CN exhibited the highest average photocatalytic efficiencies for the degradation of two model pollutants, followed in decreasing order by AgBT, black TiO₂ (BT), sheet CN, bulk CN, and TiO₂. The order of pollutant degradation efficiencies by the photocatalysts was consistent with that of the charge carrier separation efficiencies. The degradation efficiency of the CNAgBT increased as the CN-to-AgBT ratio increased from 0.05 to 0.1, but decreased gradually for higher ratios between 0.15 and 0.20, indicating a lower optimal CN-to-AgBT ratio. A plausible photocatalytic degradation mechanism for the CNAgBT nanocomposites was proposed. Additionally, CNAgBT with a CN-to-AgBT ratio of 0.1 displayed a higher hydrogen generation rate with a maximum value of 21.5 mmol g⁻¹ over 5 h than those of the AgBT and BT. Overall, the CNAgBT prepared using ultrasonication-treated CNs showed enhanced photocatalytic performance for both pollutant degradation and hydrogen generation.     

Effect of high-intensity ultrasonic treatment on the emulsion of hemp seed oil stabilized with hemp seed protein

In this study, hemp seed oil (HSO) emulsions stabilized with hemp seed protein (HPI) were prepared and treated with high intensity ultrasonic (HIU). The effects of different treatment powers (0, 150, 300, 450, 600 W) on the properties, microstructure and stability of emulsions were investigated. HIU-treated emulsions showed improved emulsifying activity index and emulsifying stability index, reduced particle size, and increased absolute values of ζ-potential, with the extreme points of these indices occurring at a treatment power of 450 W. Here, the emulsion showed the best dispersion and the smallest particle size in fluorescence microscopy observation, with the highest adsorbed protein content (30.12%), and the highest tetrahydrocannabinol (THC) retention rate (87.64%). The best thermal and oxidative stability of the emulsions were obtained under HIU treatment with a power of 450 W. The D₄₃ and the peroxide values (POV) values after 30 d storage were the smallest at 985.74 ± 64.89 nm and 4.6 μmol/L, respectively. Therefore, 450 W was optimal HIU power to effectively improve the properties of HPI-stabilized HSO emulsion and promote the application of HSO and its derivatives in food processing production.     

A theoretical study of substitution effects on halogen–π interactions

Ab initio calculations are performed to analyse the existence of intermolecular halogen···π interactions in NCX complexes with YC≡CY, where X = Cl, Br and Y = H, CN, F, Cl, OH, NH₂, and CH₃. Molecular geometries and interaction energies of the complexes are investigated at the MP2/aug-cc-pVTZ level of theory. Our results indicate that the interaction energies for the NCX···YC≡CY complexes lie in the range between ?0.5 and ?5.9 kcal/mol. The physical nature of the interactions is studied using symmetry-adapted perturbation theory (SAPT). The stability of the X···π interactions is predicted to be attributable mainly to electrostatic and dispersion effects.     

Cooperativity between the hydrogen bonding and halogen bonding in F3CX ··· NCH(CNH) ··· NCH(CNH) complexes (X=Cl,Br)

MP2 calculations with the cc-pVTZ basis set were used to analyse the intermolecular interactions in F₃CX?···?NCH(CNH)?···?NCH(CNH) triads (X=Cl, Br), which are connected via hydrogen and halogen bonds. Molecular geometries, binding energies, and infrared spectra of the dyads and triads were investigated at the MP2/cc-pVTZ computational level. Particular attention was given to parameters such as the cooperative energies, cooperative dipole moments, and many-body interaction energies. All studied complexes, with the simultaneous presence of a halogen bond and a hydrogen bond, show cooperativity with energy values ranging between ?1.32 and ?2.88?kJ?mol^?1. The electronic properties of the complexes were analysed using the Molecular Electrostatic Potential (MEP), electron density shift maps and the parameters derived from the Atoms in Molecules (AIM) methodology.     

Ultrasound Assisted Development of Structure and Properties of Polyamide 6/Montmorillonite Nanocomposites

In this paper, polyamide 6/montmorillonite nanocomposites (PA6CNs) were prepared via conventional and an ultrasonic extrusion technology developed in our laboratory. The structure and morphology of montmorillonite dispersed in conventional and ultrasonicated PA6CNs were studied by x‐ray diffraction (XRD), transmission electron microscopy (TEM), and scanning electron microscopy (SEM). The experimental results gained by XRD, differential scanning calorimetry (DSC), and polarizing optical microscopy (POM) showed that the dispersed morphology of montmorillonite plays an important role in the crystalline form, nucleation rate, crystallization temperature, crystallinity, and spherulite size of PA6 crystals. The ductility of conventional PA6CNs decreases with the addition of montmorillonite because of the presence of large, stacked montmorillonite particles. Compared with the conventional PA6CNs, the elongation at break and impact strength of the ultrasonicated PA6CN increase greatly due to the improved dispersion of montmorillonite and decreased size of spherulites, while also showing the higher yield strength. Thermogravimetric analysis (TGA) revealed a decrease in thermal stability of conventional PA6CNs, with the introduction of ultrasound further accelerating thermal decomposition. A possible explanation for the observed decrease in polymer thermal stability on ultrasonic treatment is provided.     

Pnicogen bonds in complexes with CO and CS: differentiating properties

ABSTRACT

Ab initio MP2/aug’-cc-pVTZ calculations have been performed on pnicogen-bonded complexes with CO and CS as electron-pair donors to PH₂X, for X?=?F, NC, OH, CN, CCH, and H. CO:PH₂X and OC:PH₂X complexes are stabilised by traditional pnicogen bonds. CS is an electron-pair donor through its in-plane π system to four PH₂X molecules. It forms C···^?P phosphorus-shared bonds with some ion-pair character with PH₂F, PH₂(OH-Z), and PH₂(OH-E), and traditional pnicogen bonds with all PH₂X except PH₂F. C-O and C-S stretching frequencies are blue-shifted for C···P pnicogen bonds, and red-shifted for O···P and S···P bonds. EOM-CCSD spin-spin coupling constants ^1pJ(P-C) for OC:PH₂X and ^1pJ(P-O) for CO:PH₂X are characteristic of complexes stabilised by traditional pnicogen bonds. Coupling constants ^1pJ(P-C) as a function of the P-C distance for SC:PH₂X illustrate the evolution of the C···P pnicogen bond. They increase as the P-C distance decreases in complexes with traditional bonds, reach a maximum for SC:PH₂OH transition structures as the P-C distance further decreases and the bonds gain phosphorus-shared character, and then change sign and continue to decrease as the P-C distance further decreases and the phosphorus-shared pnicogen bonds gain ion-pair character. They approach the values of ¹J(P-C) for the cation (H₂PCS)⁺.     

Chiral discrimination in hydrogen-bonded complexes of 2-fluorooxirane with hydrogen peroxide

The paper reports on an ab initio investigation of an extensive series of propylene oxide (PO)···hydrogen peroxide (HOOH) complexes to investigate chiral discrimination. Second-order Møller–Plesset perturbation theory (MP2) with the 6-311++G(d,p) basis set was used. Four complexes of 2–fluorooxirane (FO)···HOOH were identified and their structures as well as their calculated stability ordering were determined. Only–O–is the main interaction point and the–F is not a hydrogen bond acceptor in the four complexes. In this study, the four complexes were defined in a similar way as for PO···HOOH. The largest chirodiastaltic energy between RP-syn and RM-anti is 0.899 kcal mol^?1 and the largest diastereofacial energy between RP-syn and RP-anti is 1.116 kcal mol^?1. For the chiral 2,3-difluorooxirane (R,R), the chirodiastaltic energy is identical to the diastereomeric energy at 0.277 kcal mol^?1. The results obtained were compared with previously reported results on propylene oxide(PO)···HOOH and 2-methylol oxirane(M-olOx)···HOOH complexes. The mechanisms of chiral discrimination in FO···HOOH, PO···HOOH and M-olOx···HOOH were discussed. The harmonic frequencies, IR intensities, rotational constants and dipole moments for the complexes were also presented to assist future spectroscopic investigation.     

High-intensity ultrasound improves the physical stability of myofibrillar protein emulsion at low ionic strength by destroying and suppressing myosin molecular assembly

The specific molecular behavior of myofibrillar proteins (MPs) in low-salt media limits the development of muscle protein-based emulsions. This study aimed to evaluate the potential of high-intensity ultrasound (HIU; 150, 300, 450, and 600 W) to improve the physical stability of MP emulsion at low ionic strength and decipher the underlying mechanism. According to the physical stability analysis, HIU pretreatment, especially at 450 W power, significantly improved the physical stability of MP emulsions, as evidenced by the reduced particle size, enhanced inter-droplet interactions, and increased uniformity of the droplet size distribution (p < 0.05). The results of interfacial protein composition, Fourier transform infrared spectroscopy analysis, and microscopic morphology observation of the aqueous MP suspension suggested that HIU induced the depolymerization of filamentous myosin polymers and inhibited the subsequent self-assembly behavior. These effects may facilitate protein adsorption and molecular rearrangement at the oil–water interface, forming a complete interfacial layer and, thus, droplet stabilization. Confocal laser scanning microscopy observations further confirmed these results. In conclusion, these findings provide direct evidence for the role of HIU in improving the physical stability of MP emulsions at low ionic strength.     

Laccase cross-linking of sonicated α-Lactalbumin improves physical and oxidative stability of CLA oil in water emulsion

α-lactalbumin was modified by ultrasound (US, 20 kHz, 43 ± 3.4 W/cm⁻²) pre-treatments (0, 15, 30 and 60 min) and laccase cross-linking of sonicated α-lactalbumin was used to evaluate the physical and oxidative stability of conjugated linoleic acid (CLA) emulsions. The emulsions prepared with laccase cross-linking US-α-lactalbumin (α-lactalbumin treated with US pre-treatment) and US-α-lactalbumin were scrutinized for oxidative and physical stability at room temperature for two weeks of storage. Laccase cross-linking US-α-lactalbumin (Lac-US-α-lactalbumin) revealed improved physical stability in comparison with US-α-lactalbumin, specified by droplet size, structural morphology, adsorbed protein, emulsifying properties and creaming index. SDS-PAGE analysis showed that there was formation of polymers in Lac-US-α-lactalbumin emulsion. Surface hydrophobicity of Lac-US-α-lactalbumin was higher than that of US-α-lactalbumin, and gradually enhanced with the increase of ultrasound time. More importantly, the measurements of peroxide values and conjugated dienes were used to study the oxidative stability of the CLA emulsions. The Lac-US-α-lactalbumin emulsion proved to be reducing the synthesis of fatty acid hydroperoxides and less conjugated dienes compared to the native and US-α-lactalbumin emulsions. This study revealed that the combination of US pre-treatment and laccase cross-linking might be an effective technique for the modification of CLA emulsions.     

Emulsification by high frequency ultrasound using piezoelectric transducer: Formation and stability of emulsifier free emulsion

Emulsifier free emulsion was developed with a new patented technique for food and cosmetic applications. This emulsification process dispersed oil droplets in water without any emulsifier. Emulsions were prepared with different vegetable oil ratios 5%, 10% and 15% (v/v) using high frequency ultrasounds generated by piezoelectric ceramic transducer vibrating at 1.7 MHz. The emulsion was prepared with various emulsification times between 0 and 10 h. Oil droplets size was measured by laser granulometry. The pH variation was monitored; electrophoretic mobility and conductivity variation were measured using Zêtasizer equipment during emulsification process. The results revealed that oil droplets average size decreased significantly (p < 0.05) during the first 6 h of emulsification process and that from 160 to 1 μm for emulsions with 5%, 10% and from 400 to 29 μm for emulsion with 15% of initial oil ratio.For all tested oil ratios, pH measurement showed significant decrease and negative electrophoretic mobility showed the accumulation of OH⁻ at oil/water interface leading to droplets stability in the emulsion. The conductivity of emulsions showed a decrease of the ions quantity in solution, which indicated formation of positive charge layer around OH⁻ structure. They constitute a double ionic layer around oil particles providing emulsion stability. This study showed a strong correlation between turbidity measurement and proportion of emulsified oil.     

Influence of high-intensity ultrasound on physicochemical and functional properties of a guamuchil Pithecellobium dulce (Roxb.) seed protein isolate

In this study, the influence of ultrasound on the physicochemical and functional properties of guamuchil seed protein isolate (GSPI) was investigated. The GSPI was prepared by alkaline extraction and isoelectric precipitation method followed by treating with ethanol (95%), from defatted guamuchil seed flour. GSPI suspensions (10%) were sonicated with a probe (20 kHz) at 3 power levels (200 W, 400 W, 600 W) for 15 and 30 min, in addition, to control treatment without ultrasound. Moisture content, water activity, bulk and compact densities and the L*, a* and b* color parameters of the GSPI decreased due to the ultrasound. Glutelin (61.1%) was the main protein fraction in GSPI. Results through Fourier transform infrared and fluorescence spectroscopy showed that ultrasound modified the secondary and tertiary protein structures of GSPI, which increased the surface hydrophobicity, molecular flexibility and in vitro digestibility of GSPI proteins by up to 114.8%, 57.3% and 12.5%, respectively. In addition, maximum reductions of 11.9% in particle size and 55.2% in turbidity of GSPI suspensions, as well as larger and more porous aggregates in GSPI lyophilized powders were observed by ultrasound impact. These structural and physicochemical changes had an improvement of up to 115.5% in solubility, 39.8% in oil absorption capacity, while the increases for emulsifying, foaming, gelling, flow and cohesion properties of GSPI were 87.4%, 74.2%, 40.0%, 44.4%, and 8.9%, respectively. The amelioration of the functional properties of GSPI by ultrasound could represent an alternative for its possible use as a food ingredient in industry.     

A resistance minimum and the electronic structures of some one-dimensional Pt-complexes at high pressures

The effect of pressure has been measured up to 650 kbar on the electrical resistance in six one-dimensional Pt-complexes, including two mixed valence ones. SrPt(CN)₄·2H₂O, MgPt(CN)₄·7H₂O and BaPt(CN)₄·4H₂O do not show a resistance minimum, contrary to other d⁸-metal complexes, suggesting a considerable contribution of π¹ orbitals of CN^- ligands to the conduction.     

Tuning of carbon bonds by substituent effects: an ab initio study

ABSTRACT

An ab initio study, at the MP2/aug-cc-pVTZ level of theory, is performed to study σ-hole bond in binary XH₃C···CNY complexes, where X = CN, F, NO₂, CCH and Y = H, OH, NH₂, CH₃, C₂H₅, Li. This type of interaction is labelled as ‘carbon bond’, since a covalently bonded carbon atom acts as the Lewis acid in these systems. The geometrical and energetic parameters of the resulting complexes are analysed in details. The interaction energies of these complexes are between ?4.97 kJ/mol in (HCC)H₃C···CNH and ?23.07 kJ/mol in (O₂N)H₃C···CNLi. It is found that the electrostatic interaction plays a key role in the overall stabilisation of these carbon-bonded complexes. To deepen the understanding of the nature of the carbon-bonding, the molecular electrostatic potential, natural bond orbital, quantum theory of atoms in molecules and non-covalent interaction index analyses are also used. Our results indicate that the carbon bond is favoured over the C-H···C hydrogen bond in the all complexes considered and may suggest the possible important roles of the C···C interactions in the crystal growth and design.