Chemistry and Materials Science

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Review
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Jiayi Guo

,

Hong-Bo Cui

,

Dong Liu

,

Chunzhi Li

,

Guijian Guan

,

Ming-Yong Han

Abstract: Benefiting from tunable emission from ultraviolet to near-infrared windows, long luminescence lifetimes, and exceptional photostability, rare-earth-doped nanomaterials overcome the limitations of conventional dyes and quantum dots, enabling deep-tissue, high-resolution, and low-background imaging. As multifunctional fluorescent probes, rare-earth-doped nanomaterials are driving the development of next-generation biomedical imaging. This review summarizes recent advances in the structural design of rare earth-doped nanomaterials, surface engineering for biocompatibility, and targeting strategies for improved performance, and highlights their integration into advanced imaging modalities, including NIR-I/II fluorescence, FLIM, PAI, super-resolution STED, multimodal FL/MRI/CT, X-ray-excited luminescence, and persistent luminescence. Meanwhile, mechanistic insights, material innovations, and comparative advantages are discussed. Furthermore, challenges related to quantum yield, scalable synthesis, imaging resolution, and clinical translation are considered, while future directions—centered on multifunctional probe design, NIR-II imaging, and AI-assisted data analysis—are proposed, offering a versatile platform for precise multimodal imaging with significant potential to advance early diagnosis, personalized therapy, and clinical applications.

Article
Chemistry and Materials Science
Organic Chemistry

Yang Luo

Abstract: Hysteresis is normally unavoidable in hydrogels under complex external loading conditions due to the intermolecular friction, which usually leads to fatigue. Here, we develop a sarcomere-inspired double-network hydrogel made from polyacrylamide, alginate and phytic acid, whose hysteresis can be precisely modulated by preloading. Particularly, due to the synergy of micellization, fibrillation and micro-lubrication, the as-prepared hydrogel displays an ultra-low hysteresis (≤ 0.02 %) after it experiences a pre-tensile process at a specific amplitude and strain rate, or even possesses negative hysteresis in the case of low tensile amplitudes or high strain rates. Interestingly, smart responses of the developed hydrogel to cyclic tensile loadingare similar to the mechanical behaviors of sarcomeres in vivo. Likewise, the derived hydrogel with ultra-low hysteresis performs reliably even at temperatures as low as -20 ℃. The ultra-low hysteresis presented by the biomimetic hydrogel with ultra-low hysteresis makes it suitable for many engineering fields like electrical sensing with superior reliability (the corresponding electrical signal (ΔR/R0) is stable even after 1000 stretching-unstretching cycles). Moreover, the design strategy of hydrogels with programmable hysteresis provides an innovative methodology for the future development of smart high-performance hydrogels.

Article
Chemistry and Materials Science
Biomaterials

Kait Kaarel Puss

,

Eva-Lotta Palmiste

,

Nikolai Treiberg

,

Henry Vider

,

Siim Pikker

,

Ilona Faustova

,

Siim Salmar

Abstract: Lignin-cellulose mixtures (LCMs) generated as intermediates in wood biorefineries are commonly separated into lignin and cellulose. However, using ultrasound (US) to pro-cess these mixtures could create novel, valuable materials not possible with conven-tional methods. This study looked at how lignin affects the US modification of these mixtures. Crude and partially delignified LCMs were successfully prepared using aqueous solutions of EtOH, THF and dilute NaOH and then subjected to short, high-power US treatment. The resulting materials were characterised using FT-IR spectroscopy, particle size analysis, water retention value analysis, SEM and XRD. Sonication rapidly reduced the mean particle size, generating cellulose nanofibril-like structures in all samples according to SEM. The response depended strongly on lignin content, with samples containing lower amounts of lignin exhibiting substantially higher hydration capacity and stronger US responsiveness. At the molecular level, lig-nin removal exposes cellulose surfaces and enhances hydrophilic interface formation, increasing water uptake and suspension stability. Thus, results show that lignin limits accessible hydrophilic cellulose surface area rather than preventing fragmentation by sonication. US is therefore a chemical-lean strategy to tune the physicochemical prop-erties of partly delignified LCMs and expand the product portfolio of integrated wood biorefineries towards novel advanced lignocellulosic materials.

Article
Chemistry and Materials Science
Medicinal Chemistry

Svetlana V. Belenkaya

,

Anna V. Zaykovskaya

,

Ekaterina D. Mordvinova

,

Ekaterina A. Volosnikova

,

Nataliya A. Pankrushina

,

Denis E. Murashkin

,

Vadim O. Trufanov

,

Tatiana P. Kukina

,

Dmitry N. Shcherbakov

Abstract: The hexane extract of Psoralea drupacea Bunge fruits was initially evaluated for antivi-ral activity against SARS-CoV-2 based on GC-MS data indicating high bakuchiol con-tent (87.74%). Unexpectedly, the extract showed no antiviral effect in Vero E6 cells due to cytotoxicity (CC₅₀ = 7.5 μg/mL), while purified bakuchiol demonstrated moderate antiviral activity (IC₅₀ = 6.2 ± 0.8 μg/mL; SI = 2.9). Quantitative NMR revealed that the actual bakuchiol content in the extract was 44.3% — approximately half the GC-MS value — explaining the lack of efficacy at non-cytotoxic concentrations. Both the ex-tract and purified bakuchiol effectively blocked the RBD-ACE2 interaction in a com-petitive ELISA (71.3% inhibition at 50 μM for bakuchiol; IC₅₀ = 18.5 μM). Notably, the extract also inhibited the viral main protease 3CLpro (IC₅₀ = 32.0 ± 3.5 μg/mL), while purified bakuchiol showed no such activity. These findings reveal a dual mechanism: bakuchiol inhibits viral entry via RBD-ACE2 blockade, while other extract components (e.g., angelicin, psoralen) suppress viral replication via 3CLpro inhibition.

Article
Chemistry and Materials Science
Biomaterials

Jia-Hao Wang

,

Li Wan

,

Si-Qi Yuan

,

Pingping Yin

,

Ming Cao

,

Kui Zhou

Abstract: A green and facile hydrothermal method for synthesizing of copper-doped hydroxyapatite (Cu-HA) nanowires was reported. In this research, oleic acid was completely replaced by food-grade peanut oil as both the solvent and template agent for the synthesis of hydroxyapatite nanowires (HAW). Results confirm that a uniform one-dimensional nanowire morphology Cu-doped HAW was successfully synthesized. In vitro cytotoxicity tests confirm that the material exhibits good biocompatibility and supports normal cell growth. This study presents a viable route for the green and multifunctional fabrication of HA nanowires.

Article
Chemistry and Materials Science
Applied Chemistry

Mariana Bușilă

,

Aurel Tăbăcaru

,

Andreea Veronica Botezatu

,

Alina-Mihaela Ceoromila

,

Ana-Maria Moroșanu

,

Jeremias Muazeia

,

Jorge Humberto Leitão

,

António Pedro Matos

,

Fernanda Marques

Abstract: Surface modification of zinc oxide nanoparticles (ZnO NPs) with organosilane capping agents represents an effective strategy to control their physicochemical and biological properties. In this work, we report for the first time the use of halogenosilanes, namely (3- chloropropyl)trimethoxysilane (CPTMS), (3-bromopropyl)trimethoxysilane (BPTMS) and (3-iodopropyl)trimethoxysilane (IPTMS), for the surface functionalization of ZnO NPs obtained by chemical precipitation. Structural and morphological characterization (PXRD, TEM, SEM-EDX and FTIR) confirmed successful surface modification and revealed a significant particle size reduction from ~31 nm for unmodified ZnO to ~8 nm for BPTMS-modified ZnO (ZnO_b). The biological evaluation showed that halogenosilane-modified ZnO NPs exhibit enhanced cytotoxic activity against prostate cancer cell lines (PC3 and 22Rv1), with ZnO_b displaying the highest activity, likely associated with improved cellular uptake and increased reactive oxygen species (ROS) generation. In contrast, antimicrobial assays revealed only moderate bactericidal effects against Escherichia coli and Staphylococcus aureus at relatively high concentrations (≥1250 µg mL⁻¹), while no significant activity was observed against Pseudomonas aeruginosa, Burkholderia contaminans or Candida spp. within the tested range. These findings suggest that halogenosilane functionalization modulates the biological profile of ZnO nanoparticles by enhancing anticancer effects while also influencing microbiocidal activity, highlighting the role of surface chemistry in tuning biological selectivity. The present study supports the concept that rational surface engineering of ZnO-based nanoplatforms can be exploited to favor tumor-targeted activity over broad-spectrum antimicrobial effects, providing new perspectives for the design of application-oriented nanomaterials.

Article
Chemistry and Materials Science
Other

Song Zhang

,

Xi Guan

,

Fei Deng

,

Xiaowei Cheng

Abstract: An anti-contamination agent (Zn/Al–ATMP–LDH) has been synthesized by intercalation and used to correct the abnormal thickening and related operational risks caused by contact contamination between drilling fluids and cement slurries during high-temperature/high-pressure cementing. Experimental results have shown that the agent is chemically stable and exhibits good compatibility with conventional spacer-fluid additives. When compared with the direct addition of amino tris(methylenephosphonic acid) (ATMP), confining ATMP within a layered double hydroxide (LDH) markedly mitigates the retarding effect. At a dosage exceeding 0.3 wt%, the compressive strength of cement stone increases from 0 to 32.84 MPa following curing at 90 °C for 1 day, and continues to develop steadily after 7 days. Following conditioning at 187 °C, 145 MPa and 120 min, the spacer system formulated using the proposed agent as the core component serves to enhance the rheology of the mixed slurry via synergistic adsorption-regulation-dispersion stabilization-controlled release. The mixed slurry maintains stable rheological properties before and after aging with no uncontrolled thickening. When mixing the cement slurry and drilling fluid at a 7:3 volume ratio, the slurry consistency exceeds 60 Bc within 1 h, failing to meet operational requirements. In contrast, the mixed slurry containing the anti-contamination spacer (cement slurry:drilling fluid:spacer = 7:2:1) exhibits a thickening time greater than 300 min, and has been successfully applied in field cementing operations in a well in the Gaomo area.

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.

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