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Physchem

Physchem is an international, peer-reviewed, open access journal on science and technology in physical chemistry published quarterly online by MDPI.

Quartile Ranking JCR - Q4 (Chemistry, Physical)

All Articles (167)

Fullerenes are promising drug candidates, but they are virtually insoluble in water. Surface hydroxylation of fullerenes and their encapsulation in nanocarrier systems, such as dendrimers, can be used to increase their solubility. However, hydroxylated fullerene (hydroxyfullerene, fullerenol) has lower bioactivity than fullerene. Our previous research showed that fullerene is encapsulated by the Lys-2Gly dendrimer. This study demonstrates, for the first time, that hydroxylated fullerenes C60(OH)n with n = 12, 24, 36 form complexes with the same dendrimer. All these fullerenols are encapsulated near the dendrimer’s center, similar to fullerene. Surprisingly, the complex’s structure remains stable even at the maximal hydroxylation (n = 36), despite a significant reduction in hydrophobicity of the fullerene surface. We demonstrated that this stability results from an increase in the number of hydrogen bonds between the dendrimer and the fullerenol with increasing n. Thus, we established that the mechanism of complex formation changes from hydrophobic interactions to hydrogen bonding as hydroxylation increases. This means that simultaneous partial hydroxylation of the fullerene and encapsulation within a water-soluble dendrimeric nanocarrier enhances its solubility in water. This combined approach enables the use of less hydroxylated fullerene derivatives to achieve desired solubility while maintaining higher biological activity.

3 December 2025

(a) Molecular structures of chemical bonds of Lys-2Gly dendrimer (generation G2) and hydroxylated fullerenes (b) C60(OH)12, (c) C60(OH)24, and (d) C60(OH)36. Carbon atoms and C-C bonds shown by dark gray color, oxygens by red, and hydrogens by light gray.

The optimization of biodiesel production through experimental design and statistical modeling carries significant industrial and economic benefits. The utilization of Response Surface Methodology (RSM) and statistical modeling permits accurate manipulation of the crucial process parameters. In this work, a statistical model was effectively applied to optimize two major process parameters (namely reaction time and reaction temperature) for the production of biodiesel during the transesterification of palm oil. The transesterification of palm oil was studied using experiments designed through RSM to determine the optimal reaction conditions. Based on the statistical model generated by RSM, the optimal parameters for maximizing methyl ester yield were identified as a reaction time of 343 min and a temperature of 58.3 °C. Under these conditions, the model predicted a methyl ester yield of 83.57%. Experimental validation under the same conditions resulted in a yield of 83.80%, closely aligning with the predicted value and confirming the model’s reliability.

20 November 2025

Experimental configuration for transesterification.

The unprecedented influx of pelagic Sargassum represents both a serious ecological concern and a potential opportunity regarding biopolymer production. Assessing the quality, preservation status, and processing potential of these species is crucial to transforming this environmental challenge into a sustainable benefit for industrial valorization. In the present work, we investigated the alginate yields (21.2 ± 0.57% and 18.1 ± 0.11% dw) and the structural characteristics of sodium alginates extracted from Sargassum natans and Sargassum fluitans encountered drifting along Moroccan coasts, respectively. The FTIR analysis indicated that the extracted alginates from both species exhibited similar spectral profile of the commercial alginate obtained from Sigma-Aldrich. The 1H NMR spectra of the extracted alginates displayed characteristic signals for monads M and G and diads MM, GG, and MG/GM, consistent with M/G ratios above 1, with fairly abundant heteropolymeric fractions (FGM/FMG) accounting for more than 52% of the polymer diads. Intrinsic and molecular weight analyses revealed differences between S. natans ([η] = 1.39 dL/g; Mw = 0.65 × 10−5 g/mol) and S. fluitans ([η] = 0.80 dL/g; Mw = 0.37 × 10−5 g/mol). Both values are comparable to commercial alginate but remarkably lower in viscosity. Consequently, alginates from these species are foreseen to form elastic, flexible, and softer gels, making them suitable for applications such as drug delivery, cancer therapy, bioactive encapsulation, controlled nutrient release, and environmental remediation.

19 November 2025

Photographs showing whole thalli of S. natans and S. fluitans. Scale bar = 5 cm.

The manufacturing of detergent products such as laundry detergents or household cleaners is of increasing interest to the chemical industry. Surfactants and fatty acids are the most important ingredients in detergent formulations, as they are responsible for the cleaning power and the antimicrobial efficiency of the cleaning product. Computational tools can play a key role in the design and performance optimization of detergent products as they allow for quick and efficient screening of candidate surfactants in detergent formulations. In the present study, an automated fragmentation and parametrization protocol is utilized to investigate the adsorption of candidate fatty acid surfactants towards bacterial inner membranes. The effect of the surfactant size, concentration, and tendency for micelle formation on the degree of their adsorption on the inner membrane is examined. Analysis demonstrates that surfactant–inner membrane interaction weakens with surfactant size and aggregation tendency, as confirmed by pertinent experimental and simulation studies. The outcome of this study demonstrates that the adopted multiscale protocol allows for an accurate and cost-effective description of the systems examined at timescales much shorter than those required in laboratory experiments and atomistic simulations.

12 November 2025

Schematic representation of the different components and the cell envelope of Gram-negative E. coli bacteria [13], “Reprinted/adapted with permission from Ref. [13]. Copyright 2022, Sharma, P.; Vaiwala, R.; Parthasarathi, S.; Patil, N.; Verma, A.; Waskar, M.; Raut, J. S.; Basu, J. K.; Ayappa, K. G.”.

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Physchem - ISSN 2673-7167