Chemistry and Materials Science

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Review
Chemistry and Materials Science
Surfaces, Coatings and Films

Ma Shuhua

,

Liao Quanxing

,

Che Guanglan

,

Chen Haoyi

,

Xu Shiai

Abstract: Membrane Distillation (MD) is a heat-driven seawater desalination technology that uses a hydrophobic microporous membrane as its core component. Due to its low energy consumption, high separation efficiency, and ability to handle high-concentration saline wastewater, it has become an effective solution to the shortage of freshwater resources. Neverless, issues such as membrane wetting, membrane fouling, and low membrane flux severely limit its large-scale application. Composite membranes prepared using metal-organic framework (MOF) materials as fillers have become a research hotspot due to their advantages, such as permeable microporous channels, customizable pore structures, and modifiable active sites. These properties enable them to effectively reduce temperature polarization and concentration polarization phenomena. This article describes the characteristics of metal-organic framework materials and their current applications in the field of membrane distillation. Comparative analysis of the applicability of MOF polycrystalline membranes and MOF composite membranes in membrane distillation. Discussed the working principle of MOFs in enhancing the performance of membrane distillation. Finally, the problems and challenges associated with the use of MOFs in membrane distillation applications were analyzed. Aims to provide theoretical guidance for the application of metal-organic framework materials in the field of membrane distillation seawater desalination.

Review
Chemistry and Materials Science
Ceramics and Composites

Minahil Ishtiaq

,

Bin Li

,

Xiaoyu Shen

,

Yuanhui Liu

,

Huan Lin

,

Bo Zhang

,

Junhong Chen

Abstract: Silicon carbide (SiC) nanowires possess unique one-dimensional structural features, excellent mechanical strength, thermal stability and wide bandgap properties, showing great potential in high-temperature electronics, catalysis, sensing and composite reinforcement. Nevertheless, pristine SiC nanowires suffer from inert surface activity, weak interfacial compatibility and limited optoelectronic and catalytic performance. Surface coating and heterojunction engineering are effective strategies to address these deficiencies. This review systematically summarizes the synthesis routes of pristine SiC nanowires, including carbothermal reduction, chemical vapor deposition, template-assisted growth and molten salt synthesis, as well as their morphological regulation, physicochemical properties and inherent limitations. Meanwhile, typical coating methods such as wet chemical, hydrothermal, CVD and PIP are elaborated, and the influences of coating thickness, uniformity, adhesion and lattice/thermal compatibility on performance are summarized. The classification and interfacial charge mechanism of Type II, Z-scheme and Schottky heterojunctions are discussed, and the advances of coated SiC nanowires in photodetection, photocatalysis, gas sensing, electromagnetic shielding and energy storage are reviewed. Current challenges including coating stability, scalable preparation and integration bottlenecks are pointed out, and future research directions focusing on interface control, multifunctional integration and AI-assisted material design are prospected.

Article
Chemistry and Materials Science
Polymers and Plastics

Mariangel Caro-Reyes

,

Carolina Arias-Gutiérrez

,

María Esther Treviño-Martínez

,

Aldo Rafael Vazquez-Arce

,

José Alfredo Beristain‑Bautista

,

Carolina Caicedo

,

Abril Fonseca-García

Abstract: In this study, the effect of incorporating maltodextrin into films composed of thermoplastic starch and chitosan was evaluated with the aim of improving their physicomechanical properties. X-ray diffraction revealed greater organization in sample TPS-CH-M3 compared with TPS-CH-M0 and TPS-CH-M5, indicating a balanced semicrystalline structure. Thermal analyses showed an increase in the glass transition temperature from 63.0 °C to 72.6 °C and a shift of the main degradation step from 308 °C to 311 °C, reflecting enhanced thermal stability. The contact angle decreased from 89.5° to 74.0°, confirming increased hydrophilicity. SEM micrographs revealed a homogeneous surface in TPS-CH-M0 and controlled roughness in TPS-CH-M3. Mechanical tests recorded the highest tensile strength (12.5 MPa) and elongation at break (18%) for TPS-CH-M3. FTIR spectra showed physical interactions without new chemical bands, and colorimetric analysis indicated an increase in yellow tonality, which is suitable for packaging and coatings of light-sensitive foods.

Article
Chemistry and Materials Science
Materials Science and Technology

Shichao Liu

,

Haoyue Huang

,

Chi Chen

,

Yanli Zhao

,

Yuanming Li

,

Chenxi Li

,

Yi Zhou

Abstract: To identify the key factors influencing the cracking behavior of fully ceramic microencapsulated (FCM) fuel, this study employed the MOOSE multi-physics coupling platform and the cohesive phase-field fracture theory to simulate crack initiation and propagation in FCM fuel, with particular attention to the effects of particle spacing and residual pore in the matrix. Results showed that during early irradiation stages, in the absence of matrix defects, particle spacing had minimal influence on the distribution of the maximum principal stress. However, when residual pore was present in the SiC matrix, significant stress concentration occurred at the porosity sites, where the maximum principal stress was localized. Smaller particle spacing promoted crack initiation in the SiC matrix between adjacent particles and led to a higher number of cracks under the same fast neutron fluence. In the presence of residual pore, crack nucleation occurred at porosity sites even at low neutron fluence; at a fluence of 2.3 dpa, through-thickness cracks formed in FCM fuel containing residual pore, resulting in the loss of fission product containment capability.

Article
Chemistry and Materials Science
Physical Chemistry

Adriaan M.H. van der Veen

Abstract: The calculation of gas properties from the gas composition is an activity that occurs frequently in gas analysis. Such calculations play an important role in the transmission and distribution of energy gases, carbon dioxide and other commodities. They also occur in monitoring air quality. Applications include the calculation of compressibility factors of natural gas to convert metered gas volumes from actual to reference conditions, the conversion of amount fractions into mass concentrations and calculations in process design and optimisation. Evaluating measurement uncertainty is important, as usually there are legislative, regulatory and commercial requirements to be met. Assessing and demonstrating compliance with such requirements requires knowledge about the uncertainty of the measurement result. It is shown how the well-known law of propagation of uncertainty can be used with models from which it is not evident how to calculate partial derivatives, such as equations of state, which are used to calculate, e.g., compressibility factors, densities and energies. Furthermore, it is shown how to calculate time averages from measurement data in grids and networks.

Article
Chemistry and Materials Science
Polymers and Plastics

Monique Greiner

,

Michael Pohlitz

,

Philipp Kitschke

,

Aylin Last

,

Christian K. Müller

,

Jonathan G. C. Veinot

,

Michael Heinrich

Abstract: Increasing regulatory demands for high-quality plastic recycling create a strong need for novel tracer systems that enable reliable polymer identification and sorting. This feasibility study evaluates germanium nanocrystals (GeNCs) as Raman-detectable tracer materials in polypropylene (PP). The synthesis of GeNC/PP composite materials possessing various GeNC contents via a solvent-based intercalation process followed by compounding and injection molding is reported. Hydride-terminated GeNCs were synthesized and subse-quently functionalized with dodecyl ligands to ensure chemical stability, compatibility with the polymer matrix, and processability under conventional melt-processing condi-tions. The dodecyl-functionalized GeNCs were successfully stabilized and homogeneous-ly integrated into the PP matrix. Raman spectroscopy demonstrates the clear detection of GeNCs within the composites through a characteristic Ge–Ge optical phonon mode at 296 cm⁻¹, which is well separated from the intrinsic Raman bands of polypropylene. The Ra-man signal intensity increases systematically with increasing GeNC concentration. Ra-man mapping reveals an overall homogeneous distribution of the nanocrystals within the polymer, while a slight tendency toward agglomeration is observed at higher loadings. These results demonstrate that GeNCs are well suited as optically detectable tracers for polypropylene and can be reliably identified using Raman spectroscopy, highlighting their potential for tracer-based sorting concepts in advanced recycling and digital material passport applications.

Article
Chemistry and Materials Science
Applied Chemistry

Tino Nerger

,

Thale Rathsack

,

Patrick P. Neumann

,

Michael G. Weller

Abstract: Rapid detection and localization of liquid fuel spills is critical for first responders assessing fire and health hazards, yet current methods require ground-based sampling or specialized instrumentation, limiting their practicality for wide-area emergency response. We present a drone-based passive colorimetric sensor system using test strips impregnated with Nile red, similar to colored confetti. Nile red is a solvatochromic dye that undergoes distinct visible color transitions upon exposure to different liquids. The dye is embedded within a polymer matrix that minimizes leaching while providing high optical contrast between dry, water-exposed, and fuel-exposed states. The sensor strips exhibit solvent-specific colorimetric responses within one minute of exposure, readily detectable by standard RGB cameras mounted on unmanned aerial vehicles (UAV) at altitudes up to 50 m. Automated classification was validated at 20 m altitude, enabling remote surveillance of contaminated surfaces without specialized equipment. Color-corrected image analysis using Calibrite ColorChecker calibration ensures reliable interpretation under variable field illumination (625–77,000 lux). Systematic laboratory evaluation of twelve fossil and bio-derived fuels revealed characteristic hue shifts that clearly discriminate ethanol-containing gasoline blends from diesel-range fuels. Field validation confirmed localization and classification of fuel-exposed sensors, achieving F1 scores of 0.94 for gasoline and 0.98 for diesel detection with no false positives in the tested scenarios. This cost-effective and scalable approach provides actionable information on both contamination location and fuel type, crucial for rapid hazard assessment in emergency response scenarios.

Article
Chemistry and Materials Science
Electrochemistry

Jiatong Li

,

Qiming Sun

,

Tianyi Zhang

,

Jicheng Ma

,

Dehua Li

,

Shuangxi Xing

Abstract: Developing highly efficient, stable, and cost-effective non-precious metal electrocatalysts to replace traditional platinum-based materials is of great significance for advancing the commercialization of advanced energy conversion devices, such as zinc-air batteries (ZABs). Herein, we propose a facile and highly efficient strategy to successfully prepare a defect-rich, highly active nitrogen-doped porous carbon-based electrocatalyst, U-Fe-N-C (Urea-assisted synthesized iron-nitrogen-carbon material), via a high-temperature co-pyrolysis treatment of heme in the presence of urea. The study demonstrates that urea not only acts as an excellent nitrogen source during pyrolysis, introducing abundant topological defects and heteroatom doping sites, but also prompts the carbon substrate to form a hierarchical sponge-like porous structure with a high specific surface area. This unique microenvironment effectively prevents the agglomeration of iron species at high temperatures, achieving efficient anchoring and high dispersion of catalytic active centers. Electrochemical tests indicate that under optimal synthesis conditions (precursor mass ratio of 1:3, calcination at 900 °C), U-Fe-N-C exhibits outstanding oxygen reduction reaction (ORR) catalytic activity (with a half-wave potential reaching 0.731 V vs. RHE) and possesses long-term durability far exceeding that of commercial Pt/C. Furthermore, liquid rechargeable zinc-air batteries assembled with U-Fe-N-C as the air cathode demonstrate exceptional stability, achieving up to 270 h of charge-discharge cycling without attenuation. This study not only provides profound insights into the mechanisms of pore formation and assistance but also offers a novel perspective for the rational design and scalable synthesis of high-performance metal-nitrogen-carbon (M-N-C) electrocatalysts.

Article
Chemistry and Materials Science
Polymers and Plastics

Juliana Aristéia de Lima

,

Ruud Cuypers

,

Anders Höije

,

Ignacy Jakubowicz

,

Richard Sott

,

Nazdaneh Yarahmadi

Abstract: ABS is widely used as engineering plastic, but extensive use generates a significant amount of waste which is difficult to recycle due to material's complex composition. Physical recycling of ABS using TNO Möbius dissolution technique has been used here to separate pure SAN polymer, from PBR, and other substances. Relationships between properties and composition of the original materials were investigated as a starting point for evaluation of the effects of recycling on the quality of recycled materials. Three ABS materials were used in the recycling process to produce pure SAN polymers. The recycled SANs were then melt-blended with fresh masterbatch. The final ABS ma-terials had the same composition which allowed to investigate whether SAN recycled from different sources causes differences in properties of the final ABS materials. All properties of ABS materials made with recycled SAN are similar regardless of the source of SAN. Substances were quantified in the original ABS materials and in SAN polymers obtained by the recycling process. The substances were largely removed from all materials except one. The main conclusions from this study are that SAN polymer obtained by physical recycling from different sources does not affect properties of the final ABS material and the TNO process successfully separates SAN from other substances.

Article
Chemistry and Materials Science
Materials Science and Technology

Muhametkali Mataev

,

Aliya Kamysbayeva

,

Gulbayra Azimbaeva

,

Amangeldi Meldeshov

,

Gulzira Kudaibergenova

Abstract: This study investigates the structural and sorption characteristics of nanostructured polysaccharide biopolymers isolated from the tubers of dahlias (Dahlia spp.) and Jerusalem artichokes (Helianthus tuberosus). The plant raw materials were subjected to preparation and extraction to isolate pectin biopolymers, after which the resulting pectins were purified and dried to a stable state, ensuring their suitability for further physicochemical and sorption studies. The obtained pectin matrices were characterized using scanning electron microscopy (SEM) to analyze morphology and nanostructure, infrared (FTIR) and Raman spectroscopy to identify functional groups, as well as atomic absorption spectrometry to study sorption properties. The use of Raman spectroscopy further confirmed the presence of characteristic structural fragments of pectin and revealed changes in the vibrational spectra of functional groups upon interaction with metal ions. The ability of biopolymers to adsorb the heavy metal ions Cu²⁺ and Zn²⁺ from aqueous solutions was investigated. It was shown that as the concentration change (ΔC) increases, the sorption capacity increases; in most cases, the sorbent derived from dahlia tubers (DT) exhibits higher activity compared to Jerusalem artichoke (HT), which is associated with structural features and the availability of functional groups. Analysis of sorption isotherms showed that the adsorption of Cu²⁺ is well described by the Langmuir and Freundlich models, indicating a mixed sorption mechanism, whereas the Freundlich model is more appropriate for Zn²⁺, reflecting the heterogeneity of the surface and the presence of active sites with different interaction energies. The obtained data confirm the potential of nanostructured pectin biopolymers as environmentally safe sorbents for the removal of heavy metals from aqueous media and serve as a basis for the development of new sorption materials.

Article
Chemistry and Materials Science
Nanotechnology

Wan Mand Dizayee

,

Zhala Dara Omer Meran

,

Layla A. Abu-Naba'a

Abstract: Background/Objectives: One of the ongoing clinical constraints is limiting microbial growth on facial and dental prostheses, justifying the need for material surface enhancements for reducing the associated microbial complications. This study aimed to investigate a clinically applicable and reproducible coating technique to overcome microbial clinical challenges. Methods: Ag nanoparticles (NPs) were applied to three types of facial materials through spray, spin, and dip coating techniques. Surface characterization, elemental composition, and chemical bond formation were assessed by Scanning Electron Microscopy (SEM), Energy-dispersive X-ray Spectroscopy (EDS), and Fourier Transform Infrared (FTIR) spectroscopy, respectively. Subsequent optimization of spray numbers was performed. Antimicrobial performance was examined by agar diffusion, direct contact, and adhesion (time-dependent) assays, with different layers, against Pseudomonas aeruginosa. Results: Spray coating exhibited superior coating uniformity compared with others. 15 sprays was determined as optimal number for a single layer coating. EDS confirmed Ag NP presence, FTIR revealed no chemical alteration of specimens. Disk diffusion tests showed no inhibition zones. Adhesion and direct contact tests displayed antibacterial activity, the effect of which was stronger for the latter. Time-dependent adhesion test of 1-layer coating of acrylic and silicone had a consistent decrease in bacterial amount, whilst zirconia had only a strong initial activity. In general, the 3-layer coating did not showcase an increased antimicrobial activity, suggesting that the increase in layering negatively impacts surface effectiveness. Conclusions: spray coating of Ag NPs can provide a promising, clinically-applicable, large-scale manufacturing strategy for improving dental and facial material antibacterial qualities without altering the inherent prosthetic properties.

Article
Chemistry and Materials Science
Analytical Chemistry

Sami El Deeb

,

Mohammed Al Broumi

,

Reem K. Almarsafy

,

Maria Kristina Parr

Abstract: A cornerstone in transferring a classical liquid chromatography (LC) ultraviolet/visible (UV/Vis) method into greener and sustainable analytical method should consider the safety and toxicology of the used organic solvent in the method. Organic solvent portions used in the mobile phase may be replaced by a green solvent that is ideally bio-based and biodegradable to increase the greenness of the method. However, the implementation of a new solvent for high performance liquid chromatography (HPLC-UV/Vis) requires consideration of its environmental and health impact, cost-effectiveness, user-friendliness, and impact on the analytical performance and suitability of its chromatographic method. Existing greenness, blueness, and redness metrics expressing whiteness for evaluating the comprehensive sustainability of methods after solvent replacement overlook the chromatographic suitability of the selected solvent, this may potentially lead to suboptimal solvent replacement and an incomplete view of its capabilities. In this work, the authors present a Universal Suitability and Sustainability Index (USSI), a sixteen-parameter scoring system that quantifies four main factors for complete evaluation of a new solvent for implementation in HPLC. This index is beyond the white analytical chemistry principle. The four main factors are chromatographic suitability, greenness, blueness, and redness. Three of these factors, are based on available tools and metrics to evaluate the environmental and practicability impact on the health, and the analytical performance of the method. The fourth factor is added as an important criterion to judge the suitability of the solvent for HPLC analysis and to give an overview about its analytical applicability. The new index has been used to evaluate traditional liquid chromatographic as well as green solvents-based methods to give a universal overview that aids users to drive a rapid impression on the weakness and strength aspects and makes it easier to judge the selection of the solvent and the evaluation of the overall method sustainability.

Article
Chemistry and Materials Science
Physical Chemistry

Xiangxi Zhang

,

Qing Zhou

Abstract: In this study, hydantoin (C₃H₄N₂O₂) was selected to investigate the photoluminescence mechanism of non-typical luminescent compounds. The emission spectra of single crystals were examined using a laser confocal microscope. Within the same crystal, the peak shape and position were consistent across different regions, while the intensity varied; this phenomenon is attributed to confinement-induced emission. For different crystal blocks, variations in molecular packing modes led to changes in both peak shape and position. Combined with theoretical calculations and analyses, the results show that: as the molecular number increases, the energy gap decreases and the excitation wavelength increases (lower excitation energy); the hole-electron attraction energy, delocalization index, and overlap degree all decrease, with the hole delocalization index decreasing faster than that of the electron; the spin-orbit coupling coefficients for high-lying triplet states are more sensitive to the molecular count; and the intersystem crossing rate increases sharply with increasing energy level. In summary, the number and mode of molecular packing in the crystal influence the excited-state electronic structure and hole-electron interactions, thereby determining the luminescence behavior of non-typical luminescent compounds.

Article
Chemistry and Materials Science
Medicinal Chemistry

Cong Liu

,

Yinan Hao

,

Siyuan Qi

,

Jian Bai

Abstract: Aspergillus nidulans, a model filamentous fungus endowed with well-established genetic tools and a repertoire of cryptic secondary metabolite biosynthetic gene clusters (BGCs), is extensively exploited as a microbial chassis for heterologous biosynthesis. Mining of its secondary metabolites facilitates the discovery of novel bioactive compounds and the development and application of chassis cells. In the course of heterologous expression of exogenous genes in A. nidulans, we unexpectedly observed the activation of cryptic host BGCs, which resulted in substantial alterations to its secondary metabolic profile. Four previously undescribed compounds (1–4), together with six known analogs (5–10), were isolated from three recombinant A. nidulans strains. Notably, compounds 1–3 are the first naturally occurring examples of diketopiperazine-isoindolinone hybrid alkaloids, while compound 4 is a previously unreported benzofuran carboxylic acid derivative. Their structures and absolute configurations were assigned by interpretation of a combination of spectroscopic data and electronic circular dichroism calculations. Compounds 4 and 5 exhibited potent DPPH radical scavenging activity (IC50, 6.01 and 7.00 μg·mL-1, respectively). This study uncovers a "metabolic perturbation" effect on the host metabolic network during heterologous expression and offers a new strategy for activating silent gene clusters and discovering novel natural products through genetic manipulation.

Article
Chemistry and Materials Science
Nanotechnology

Damyan Stoyanov Ganchev

,

Rayna Bryaskova

,

Iliyan Ognyanov

,

Krasimir Staykov

Abstract: Electrospinning is a relatively easy and perspective method for producing polymeric, ceramic, and composite fibers, which may vary from several nanometers to several micrometers. Poly(vinyl alcohol) (PVA) is a water-soluble, non-toxic, and biocompatible polymer with good mechanical properties, making it widely used for electrospinning. In this study, the influence of PVA solution concentration, applied voltage, tip-to-collector distance, and needle size on the morphology and diameter of the obtained fibers was investigated in order to optimize the conditions for the production of bead-free nanofibers. For this purpose, PVA solutions with different concentrations (5, 7.5, and 10 wt.%) were prepared and electrospun by altering the parameters of the process. Fiber morphology and diameter distribution as a function of the studied parameters were evaluated by Scanning electron microscopy (SEM). The results demonstrated a strong dependence of fiber morphology on solution viscosity. At low concentration (5 wt.%), fibers with numerous bead defects were obtained. Increasing the concentration to 7.5 wt.% led to a significant reduction in bead defect. Further increasing the concentration up to 10 wt.% led to the production of smooth and homogeneous fibers under the optimized conditions. A non-linear relationship between fiber diameter and tip-to-collector distance was observed, with an optimal distance of 140 mm yielding the thinnest and most uniform fibers. Additionally, needle diameter was found to influence both fiber size and process stability. Smaller needle diameters (G22) enabled the production of finer fibers (~180 nm), but with increased sensitivity to processing conditions, whereas larger diameters (G20–G21) provided more stable jet behavior and narrower diameter distributions. The statistical analysis ANOVA confirmed these findings. The study provides useful insights for optimizing electrospinning parameters to obtain high-quality, bead-free PVA nanofibers.

Article
Chemistry and Materials Science
Chemical Engineering

Kevin Alejandro Avilés-Betanzos

,

Dayra Priscila Turrén-Gutiérrez

,

Manuel Octavio Ramírez-Sucre

,

Juan Valerio Cauich-Rodríguez

,

Ingrid Mayanin Rodríguez-Buenfil

Abstract: Habanero pepper (Capsicum chinense Jacq. var. Jaguar) leaves are an underutilized by-product and a source of phenolic compounds. This study evaluates how natural deep eutectic solvents (NADES) formulation and processing conditions with ultrasound-assisted extraction (UAE) modulate selective phenolic recovery. A 2×3×2 factorial design evaluated the hydrogen bond acceptor (HBA) in NADES (choline chloride, ChCl; malic acid, MAc), UAE time (10 min, 20 min, 30 min), and leaf drying (freeze-drying, FzD; oven-drying, OvD). Total phenolic content (TPC, Folin–Ciocalteu), antioxidant capacity (Ax, DPPH methodology), and individual polyphenols (liquid chromatography) were determined. The highest TPC was obtained with ChCl from FzD leaves at 10 min UAE (36.18 ± 0.70 mg GAE/g dry leaf). Maximum Ax occurred for OvD leaves at 30 min and did not differ between HBAs (ChCl 86.43 ± 0.65%; MAc 86.95 ± 0.18%). UPLC-DAD confirmed selectivity, highlighting catechin (51.14 ± 1.07 mg/g; MA, FzD, 20 min), chlorogenic acid (16.05 ± 0.09 mg/g; MA, OvD, 10 min), and quercetin + luteolin (5.37 ± 0.05 mg/g; MA, FzD, 10 min). Modulation could be explained by HBA-dependent polarity and hydrogen-bonding that alters solvation of phenolic compounds, while UAE enhances mass transfer and cell disruption, and drying-dependent matrix structure affect phenolic stability and release. These results show the behavior between total and individual phenolic compounds and the Ax, which guides the evaluation of UAE/NADES conditions for the targeted extraction of phenolic compounds of interest in the pharmaceutical, food and cosmetic industries from the leaf of Capsicum chinense.

Article
Chemistry and Materials Science
Physical Chemistry

Onofrio Annunziata

,

Shamberia Thomas

Abstract: In protein solutions, an additive that increases protein-protein attractive interactions is expected to decrease protein crystal solubility and raise temperature of liquid-liquid phase separation (LLPS). In contrast, addition of 0.10-M 4-(2-hydroxyethyl)-1-piperazineethanesulfonate (HEPES) to lysozyme-NaCl aqueous solutions at constant pH (7.4) and ionic strength (0.20 M) decreases solubility but lowers LLPS temperature. This leads to a broadening of LLPS metastability gap in the phase diagram and an enhancement of protein crystallization yield from LLPS. We theoretically examine the effect of HEPES on both solubility and LLPS boundaries using a colloid model. Under the hypothesis that HEPES stabilizes protein-protein contacts in the crystal lattice by physical cross-linking, we apply cell theory to describe the thermodynamic behavior of the crystalline phase and use solubility data to show that HEPES increases protein-protein attraction energy by 2.7%. Since an increase in attraction incorrectly predicts a raise in LLPS temperature, we consider that HEPES also enhances the anisotropic character of protein-protein interactions. To describe the thermodynamic behavior of the solution phase, we start from Barker-Henderson second-order perturbation theory on the hard-sphere reference fluid with square-well potential and local-compressibility approximation. We modify this model so that it can reproduce the correct mathematical expression of the second virial coefficient. This also leads to a better agreement with Monte Carlo simulations. We then approximately incorporate anisotropy by assuming that the square-well attraction energy is a temperature-dependent average over all particle surface with a given fractional coverage of attractive spots. The attraction energy of the attractive spots is set to be the same as that of protein-protein contacts in the crystal. Only fractional coverage (anisotropy) was varied to successfully fit the effect of HEPES on the LLPS boundary.

Short Note
Chemistry and Materials Science
Organic Chemistry

Nathan Long

,

Emanuela Paval

,

Joseph C. Bear

,

Jeremy K. Cockcroft

,

Stephen P. Wren

Abstract: The title compound 3-(diphenylamino)-4-ethoxycyclobut-3-ene-1,2-dione (6), was prepared by reaction of diphenylamine (2) with diethyl squarate (DES; 5) as part of our ongoing studies on monosquarate-amides. Following purification and recrystallisation, the product was isolated as a green crystalline solid. Its structure was established by spectroscopic methods including: FTIR, 1H NMR, 13C NMR and HRMS and was unambiguously confirmed by single crystal X-ray diffraction. This work provides access to a previously unreported diphenylamino substituted squaric acid derivative.

Article
Chemistry and Materials Science
Physical Chemistry

Fathi Elashhab

,

Lobna Sheha

,

Nada Elzawi

Abstract: Heparin is a highly sulfated polyelectrolyte, and its properties depend a lot on its shape in solution. In this study, we closely examined the structural behaviour of UVC-irradiated low-molecular-weight heparin. By using controlled photodegradation, we created native, small, and ultra-small molar mass fractions, which allowed us to study how structural properties change with molecular weight. We examined how molar mass, radius of gyration, second virial coefficient, and critical overlap concentration are related to one another to understand different conformational states. Our results showed that as molar mass decreased, the chain diameter and persistence length also dropped, while the overlap concentration increased. This means the hydrodynamic volume went down and the chains became more flexible. The positive second virial coefficient values showed that polymer–solvent interactions remained favourable after photo-tailing. The scaling exponents suggest that degraded heparin behaves as a semi-flexible polyelectrolyte and adopts an extended-coil shape in water with electrolytes. Further analysis showed that the characteristic ratio and stiffness of the chains decreased as the chains were broken by irradiation. Overall, UVC phototailing provides a reliable way to modify the structure of these molecules while maintaining solution stability. These findings show a clear link between reduced molecular weight and changes in shape, which is useful for developing better low-molecular-weight heparins for pharmaceutical and medical use.

Review
Chemistry and Materials Science
Biomaterials

David Pawłowski

,

Kinga Słomska

,

Jakub Telszewski

,

Marcel Pilarski

,

Kamil Klimkowski

,

Julia Witkowska

,

Elżbieta Jankowska

Abstract: Radiotherapy remains one of the main pillars of cancer treatment and is used in more than half of all oncological patients. Despite continuous technological improvements, ionizing radiation inevitably causes damage to surrounding healthy tissues, leading to acute and chronic complications affecting multiple organs, including the skin, mucosa, heart, lungs, and gastrointestinal tract. Radiation-induced injuries significantly impair patients’ quality of life, limit therapeutic doses, and represent a major unmet clinical challenge. Hydrogels have emerged as a highly promising class of biomaterials for the management of radiation-associated tissue damage due to their high water content, tunable mechanical properties, biocompatibility, and ability to mimic the extracellular matrix. In recent years, significant advances have been made in the design of functional hydrogels, including stimuli-responsive, injectable, adhesive, and bioactive systems capable of delivering drugs, growth factors, antioxidants, or living cells. This review provides a comprehensive overview of radiation-induced injuries in different organs and summarizes current strategies employing hydrogel-based systems for their treatment. We discuss both therapeutic and preventive applications of hydrogels, highlighting their potential to protect healthy tissues, reduce inflammation and fibrosis, and promote tissue regeneration.

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