Water scarcity combined with the increasing presence of pharmaceuticals, such as antibiotics, in aquatic systems poses a significant threat to environmental integrity and human and animal health. The increasing demand for efficient and sustainable materials for water treatment has driven research towards photocatalytic technologies. In this work, magnetic TiO₂/Carbon Quantum Dot (CQD) nanocomposites were synthesised and evaluated to assess the influence of synthesis methodology on the final material’s photocatalytic performance. CQDs were synthesised via a hydrothermal method using spent brewery grains (SBGs) as a sustainable carbon precursor. The process involved hydrothermal carbonisation at 200 ºC, with or without prior stirring at 70ºC of the precursors, followed by filtration and purification. Magnetic TiO₂/CQDs nanocomposites were then prepared via co-precipitation of iron salts, either in situ or ex situ, enabling facile recovery of the materials by means of magnetic separation. For the ex situ methodology, TiO₂/CQD nanocomposites were previously prepared through ultrasonication, followed by co-precipitation with iron oxide. In the in situ synthesis, CQDs, TiO₂, and iron salts were added together. Four magnetic TiO₂/CQDs composites were obtained by combining stirring and the synthesis route (in situ or ex situ).

The prepared materials were evaluated for the photocatalytic degradation of 10 mg/L trimethoprim (TMP) and sulfamethoxazole (SMX) in phosphate buffer (0.001 mg/L, pH 8) under simulated solar irradiation. The results show that all nanocomposites enhanced the degradation of both TMP and SMX compared to photolysis. The best-performing photocatalysts removed more than 70% after 1 h of irradiation, compared to less then 20% removal in photolysis. Under the tested conditions (500 mg/L), the ex situ photocatalyst with prior stirring exhibited the highest activity, yet the results were comparable to the in situ photocatalyst without prior stirring, which was selected as the most suitable photocatalyst due to simpler and faster synthesis.

The occurrence of pharmaceutical residues in water bodies represents a growing environmental and public health concern, as many of these compounds are not fully removed by conventional wastewater treatment technologies. Carbamazepine (CBZ), a widely prescribed antiepileptic drug, is among the most persistent pharmaceuticals detected in aquatic environments and is frequently used as an indicator of treatment inefficiency. This study presents an advanced photocatalytic material designed to enhance the removal of carbamazepine from water by combining mesoporous titanium dioxide (TiO₂) with luminescent and phosphorescent carbon dots (CDs and PhCDs).

Two anatase TiO₂ photocatalysts with distinct porosity and morphology were prepared via solvothermal synthesis and thermal conversion of a titanium-based metal–organic framework, respectively. The materials were modified by impregnation with carbon dots and thoroughly characterised to assess their structural, optical, and surface properties. The photocatalytic performance of the resulting hybrids was evaluated under UV-Vis irradiation using carbamazepine degradation and total organic carbon (TOC) removal as key indicators of treatment efficiency.

The incorporation of carbon dots broadened the light absorption range of TiO₂ toward the visible region, enabling more effective utilisation of solar irradiation. In particular, phosphorescent carbon dots significantly improved photocatalytic performance by prolonging the lifetime of photogenerated charge carriers and reducing electron–hole recombination. As a result, the PhCDs@TiO₂ hybrid achieved faster carbamazepine degradation and higher mineralisation efficiency compared to unmodified TiO₂, even at reduced photocatalyst loadings.

These findings demonstrate the potential of phosphorescent carbon dot-modified TiO₂ as a practical photocatalyst for water treatment applications. The use of low-cost, metal-free carbon dots combined with a well-established TiO₂ platform offers a promising and scalable approach for removing persistent pharmaceutical contaminants in advanced oxidation processes and solar-driven wastewater treatment systems.

The persistence of pharmaceutical contaminants in aquatic environments, coupled with their inefficient removal by conventional treatment technologies, poses escalating risks to ecosystems and public health. Herein, we report the development of a hybrid Bi₂WO₆@WS₂-PVDF-HFP composite membrane as an efficient and reusable platform for the sonophotocatalytic degradation of the antibiotic trimethoprim (TMP). The membrane integrates a type-II Bi₂WO₆@WS₂ heterojunction within a piezoelectric PVDF-HFP matrix, enabling synergistic coupling between photocatalytic and sonocatalytic processes.

Comprehensive structural, optical, and electrochemical characterizations confirm strong interfacial coupling, broadened visible-light absorption, enhanced charge separation, and reduced recombination. Under combined light irradiation and ultrasound, the hybrid membrane achieves complete TMP degradation, outperforming membranes containing individual components. Kinetic analyses indicate predominantly pseudo-second-order behavior, while adsorption isotherms suggest favorable, mainly monolayer-type interactions between TMP and the catalytic surface.

Importantly, the membrane maintains high degradation efficiency in complex matrices, including surface water and groundwater, demonstrating robustness beyond model solutions. Reusability tests show 100% degradation efficiency over three consecutive cycles, highlighting excellent structural and functional stability. Liquid chromatography–mass spectrometry analyses indicate that hybrid sonophotocatalysis promotes extensive degradation of trimethoprim, preventing the accumulation of persistent and toxic transformation products.

Overall, this work demonstrates a scalable and environmentally friendly membrane-based strategy that combines photoactivity, piezoelectricity, and material stability, offering a promising solution for the remediation of emerging pharmaceutical contaminants in real water systems.

Herein, we reported a novel multi-function phosphor Sr4GaNbO8:Dy3+/Mn4+ with excellent performance. Under different UV excitations, the phosphor simultaneously exhibited characteristic emissions of Dy3+ around 490 and 578 nm and Mn4+ around 712 nm, realizing the tunable luminescence from yellow to red. Moreover, there is energy transfer between Mn4+ and Dy3+ in the co-doped phosphor. Based on the fluorescence intensity ratio (FIR) technique, maximum relative sensitivities (Sr) and absolute sensitivity (Sa) were achieved to be 14.12% K-1@298 K and 2.33 K-1@473K for Sr4GaNbO8:0.04Dy3+ ,0.005Mn4+, and 13.92% K-1@298 K and 1.68 K-1@473K, respectively, and for Sr4GaNbO8:0.04Dy3+,0.007Mn4+, which were much higher
than most reported results. Remarkably, we proposed an innovative fluorescence lifetime ratio (FLR) prototype approach based on the opposite change of temperature-dependent lifetime behaviors for Dy3+ and Mn4+ under 285 nm excitation, achieving maximal Sr and Sa values of 34.08% K-1@298 K and 5.22 K -1@393 K for the Sr4GaNbO8:0.04Dy3+,0.005Mn4+ sample, which is higher than those obtained using FIR technology, demonstrating its high potential in future design of fluorescent thermometers with higher sensitivity. Moreover, an anti-counterfeiting and information encryption model was designed based on the tunable luminescence properties related to excitation wavelength (250 - 420 nm) and temperature (298 - 473 K) of as-prepared materials. The results enable breakthrough applications in optical sensing, optical encryption and dynamic anti-counterfeiting systems, providing innovative solutions for non-contact thermometry and information security.

The development of advanced functional materials through additive manufacturing has opened new opportunities in photonic applications [1,2]. In this work, we report the fabrication of 3D-printed parts using a photo-curable resin doped with rare-earth ions, enabling the production of optically active structures with tailored luminescent properties. By incorporating rare-earth elements into the resin formulation, the resulting manufactured components exhibit characteristic optical emissions when illuminated under appropriate excitation conditions.

The primary objective of this research is the development of 3D-printed parts for information encoding and visual communication. Specifically, structures such as QR codes and ASCII-based patterns are fabricated, in which the encoded information is revealed through luminescent responses arising from the optically active ions. This approach enables secure and contactless information retrieval, with potential applications in anti-counterfeiting, data storage and smart labeling. In addition, the versatility of the printing process allows the fabrication of customized photonic elements for signaling and safety applications.

References

1. Rivera‑López, F.; Hernández‑Álvarez, C.; Domínguez‑Crosa, M. C.; Martín, I. R.; González‑Rodríguez, M.; Nuñez, P.; Ríos, S. 3D‑Printed Gd₃NbO₇: Yb³⁺, Tm³⁺ Remote Temperature Sensor with High Sensitivity for Industrial and Biological Applications. Mater. Today Adv. 2025, 28, 100642.

2. Hernández‑Álvarez, C.; Martín‑Hernández, P. I.; Martín, I. R.; Rivera‑López, F.; Hemmerich, H.; Grzegorczyk, M.; Mahlik, S.; Runowski, M. Optical Temperature Sensor Evaluation in a Working Gear Motor: Application of Luminescence Thermometry in Industrial Technology. Adv. Opt. Mater. 2024, 12 (17), 2303328.

Acknowledgmens

This work has been partially supported by the Proyecto ProID2024010034 funded by the Agencia Canaria de Investigación, Innovación y Sociedad de la Información (ACIISI) and by the Fondo Europeo de Desarrollo Regional en el marco del programa FEDER Canarias 2021-2027.

Non-adiabatic dynamics govern processes in which the Born–Oppenheimer approximation fails, allowing for strong coupling between electronic and nuclear degrees of freedom. These effects are crucial in photochemistry, where electronic transitions occur on ultrafast timescales. Near conical intersections, the interplay between potential energy surfaces enables efficient radiationless decay and determines reaction pathways, influencing molecular stability and quantum yields.

Recent advances in mixed quantum-classical and fully quantum approaches, such as surface hopping and multi-configurational time-dependent methods, have improved simulations of these phenomena. Non-adiabatic effects are key to understanding photoinduced dynamics in biological chromophores, photovoltaic materials, and catalytic systems, where they impact energy dissipation and functional efficiency. However, as molecular size increases, computational costs become prohibitive, requiring approximations to make such studies feasible.

Surface hopping dynamics emerged as a practical solution, often combining time-dependent methods for systems in which CASSCF and non-adiabatic coupling calculations are expensive. Recently, we introduced the NORA approach, which performs surface hopping dynamics within a molecular mechanics framework. NORA relies on excited- and ground-state parametrization based on quantum mechanical potential energy surfaces, thereby creating accurate force fields that reproduce photostationary states and other photochemical properties. Initially presented as a proof of concept, we aim to expand this methodology through alternative parametrizations and, importantly, to incorporate non-adiabatic coupling terms to achieve truly non-adiabatic dynamics at a classical level.

This contribution reviews the progression from high-cost CASSCF non-adiabatic molecular dynamics to more affordable methods under development. Examples include CASSCF NAMD on mycosporine-like amino acids and ongoing studies using TD-DFT-based surface hopping, where energetic gaps are used to approximate hopping events in regions that TD-DFT cannot fully describe. Finally, I present NORA as an entry point for excited-state dynamics in biological systems using classical molecular mechanics

The integration of bioorthogonal click chemistry with live-cell fluorescent labeling is of paramount significance for elucidating the spatiotemporal information of biomolecules, which is fundamental to understanding core biological processes and disease pathogenesis. Photoclick chemistry has garnered considerable interest as it circumvents the limitations of metal toxicity and lack of spatiotemporal precision inherent in traditional click reactions. This project addresses the critical challenges of conventional photoclick systems, namely the phototoxicity and poor penetration of UV light, alongside the cytotoxicity of substrates activated by visible light. We conducted a comprehensive investigation, proposing novel reaction mechanisms based on tetrazole compounds and strain-promoted cycloadditions with bicyclo[1.1.0]butanes. By leveraging principles from bioorthogonal chemistry, organic synthesis, and molecular biology, we have translated the concept of spatiotemporally controlled live-cell labeling into the development of new cycloaddition reactions and the synthesis of [3.1.1]propellane scaffolds as saturated aromatic ring bioisosteres. Consequently, we have established a series of novel analytical methods for live-cell fluorescence labeling based on this advanced photoclick chemistry. This work not only opens a new avenue for studying intracellular macromolecules via chemical reactions but also significantly expands the repertoire of bioorthogonal transformations. It thereby fosters a deeper integration of chemistry and life sciences, offering promising new strategies and methodologies for applications in bioimaging and therapeutic monitoring.

Alkylboronates serve as pivotal intermediates in synthetic chemistry; however, their preparation through mainstream methods—such as transmetalation, hydroboration, or transition-metal-catalyzed borylation of (pseudo)halides—typically demands strictly anhydrous conditions and often exhibits limited compatibility with sensitive functional groups.

Herein, we report a mild, operationally straightforward, and versatile alternative: a decarboxylative borylation of readily available alkyl N-acyloxy-phthalimide esters under visible-light photoredox catalysis. This new protocol directly addresses the common synthetic challenges by proceeding efficiently under ambient conditions, utilizing non-anhydrous solvents, and critically, requiring no stoichiometric sacrificial additives. The reaction is catalyzed by an inexpensive iridium photosensitizer ([Ir(ppy)₂dtbpy]PF₆) upon irradiation with compact fluorescent light, employing tetrahy-droxydiboron as the boron source. A broad range of primary and secondary alkyl boronic acids are obtained in good-to-excellent yields. These products, which can be isolated as air-stable trifluoroborates after a simple KHF₂ workup, tolerate a diverse array of functional groups, including esters, ethers, halides, and heterocycles, highlighting the exceptional chemoselectivity of this radical-based pathway. Mechanistic investigations, including control experiments, support a catalytic cycle initiated by the single-electron reduction of the redox-active ester.

This generates an alkyl radical, which subsequently engages with an in situ formed, base-activated diboron species to forge the critical C–B bond. The method provides a general and practical strategy for converting abundant, stable aliphatic carboxylic acids—via their activated derivatives—into valuable alkylboron building blocks under remarkably mild conditions, offering a complementary and robust tool for complex molecule synthesis.

Introduction. Photodynamic therapy (PDT) is based on the use of photosensitizers (PS) that generate cytotoxic reactive oxygen species (ROS) upon light exposure. The efficacy of PDT depends on the efficient PS intracellular accumulation and preservation of their photodynamic activity. However, the limited solubility and poor pharmacokinetics of many PS necessitate the development of efficient delivery systems. Extracellular vesicles (EVs) have been proposed as promising nanocarriers for PS delivery.

Materials and methods. EVs were isolated from human embryonic kidney (HEK293) cells using ultrafiltration. The photosensitizer 5,15-bis(3-methoxy(4-(6-pyridylhexyloxy)phenyl)-10,20-di(ethynylphenyl)porphyrinato zinc (ZnP) was loaded in EVs by sonication, followed by removal of non-encapsulated ZnP by size-exclusion chromatography. Photodynamic activity of ZnP-EVs was assessed using the MTT assay on A549 cells after irradiation with red light (660 nm). ZnP-EV-induced ROS formation in A549 (human lung adenocarcinoma) cells was evaluated by flow cytometry. ZnP release was studied in a model medium (phosphate-buffered saline supplemented with 10% fetal bovine serum, pH 7.4).

Results. After ZnP-loading, EV recovery rate was approximately 40%. ZnP encapsulation resulted in a slight increase in EV size and zeta potential, consistent with membrane incorporation. Both free ZnP and ZnP-loaded EVs showed no dark toxicity in A549 cells at tested concentrations. Photoactivity assay confirmed that ZnP remains functional within EVs, while flow cytometry revealed that ZnP-EVs generate ROS more efficiently than free ZnP. Analysis of ZnP release from EVs demonstrated that only 16% of ZnP was released within the first 24 h, suggesting more selective PS accumulation in target tissues.

Conclusions. The results demonstrate that EVs derived from HEK293 cells preserve the photodynamic properties of the encapsulated PS, enable controlled release under biologically relevant conditions and enhance ROS generation compared to free ZnP.

This work was supported by the Russian Science Foundation research grant No. 25-75-00151, https://rscf.ru/project/25-75-00151/

Photochemical reactions are significantly affected by the electronic configuration of materials when exposed to light irradiation. This study employs rapid density functional theory (DFT) calculations, as implemented in the deMon2k package, to investigate photoinduced charge transfer in functionalized carbon-based materials. An analysis of frontier molecular orbitals, HOMO–LUMO energy gaps, and charge density distributions is conducted to elucidate light-induced electron excitation and reactivity. The findings indicate that basic molecular functionalization can efficiently adjust the electronic response during photoexcitation. The deMon2k method's efficiency enables rapid calculations at a minimal computational expense, rendering this approach appropriate for the swift screening of photoactive materials. This study demonstrates that rapid simulations can provide reliable photochemical insights and facilitate the development of experimental and industrial materials. Moreover, the computational workflow is deliberately simplified by employing established exchange–correlation functionals and compact basis sets accessible in deMon2k. This facilitates the rapid completion of geometry optimization and electronic structure analysis using standard computing resources. This expedited simulation approach is especially advantageous for initial material selection, where numerous candidate systems require efficient evaluation. This methodology can be readily expanded to investigate light–matter interactions pertinent to photocatalysis, chemical sensing, and environmental remediation, thereby underscoring the practical significance of rapid theoretical photochemistry.