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Article
Chemistry and Materials Science
Applied Chemistry

Yingchun Li

,

Sameh Abdelwahed

,

Nattamai Bhuvanesh

,

Joseph Reibenspies

,

Zhenhuan Yi

Abstract: Fulgides are a group of organic compounds that exhibit photochromic properties both in solid state and in solutions. The compounds attracted research attention due to their wide potential applications including photochromic eyewear, smart windows, optical switch, data storage, chemical and biological sensors. We are reporting here the synthesis and crystal structures of fulgides of four different substituents at the para position of a phenyl moiety in the molecules. It was found among the 4 structures that 1) all the 4 compounds packed in space groups of an inversion center; 2) the distance between the two carbon atoms C8 and C11, which form a single C-C bond in the cyclized products, falls in the range of 3.5-3.7 Å; 3) the torsion angle, defined by C6-C3-C4-C11, falls in the range of 23.4o to 32.5o. The fulgides exhibited photochromism. The fulgides should have no ferroelectric property due to their crystallization into centrosymmetric spaces groups.
Review
Chemistry and Materials Science
Applied Chemistry

Pengyun Liu

,

Luisa Boffa

,

Giancarlo Cravotto

Abstract: The valorization of agricultural residues helps improve crop economic efficiency and alleviate environmental pressures. Owing to the merits of simplicity, high efficiency, low costs, and scalability, adsorption removal of contaminants using biochar has been widely investigated. The adsorption removal of organic and inorganic contaminants from wastewater using biochar derived from agricultural residue follows the principles of the circular economy and green chemistry, facilitating both environmental remediation and agricultural development. This review outlined the mechanism of biochar adsorption, the preparation of biochar from agricultural residues, and their applications for wastewater remediation. Furthermore, the economic evaluation and environmental impacts, as well as the future directions and challenges, in this field, have also been presented.
Article
Chemistry and Materials Science
Applied Chemistry

Christopher Andrew Bilbao

,

Kim Christopher Aganda

Abstract: In the study, lignin was extracted from coconut pith (CP) using soda pulping method, utilizing Response Surface Methodology to optimize key process parameters. The dependent variables were the extraction temperature and time, and NaOH concentration, with the yield (g lignin/10 g material) as the response. The statistical results identified ex-traction temperature (ρ = 0.0044) and time (ρ = 0.0035) as significant factors. NaOH con-centration, though not significant individually (ρ = 0.757), exhibited interaction effect with time (ρ = 0.006). The theoretical optimal extraction conditions were 159.0 °C, 169.0 min, and 2.1% NaOH, under which an actual coconut pith lignin (CPL) yield of 1.806 g/10 g CP was achieved. Characterization of CPL showed a composition of 92.96 ± 0.32% ac-id-insoluble lignin. To demonstrate its applicability, CPL was incorporated into a phenol-formaldehyde (PF) adhesive formulation, substituting the phenol component. The Adhesive Shear Strength Test demonstrated that the lignin-formaldehyde (LF) adhesive had a mean failing load of 0.819 kg/cm², nearly half that of the prepared PF adhesive at 1.78 kg/cm². The FT-IR spectra of the CPL and LF adhesives revealed notable differences in the 1750 – 1000 cm⁻¹ region, suggesting distinct structure and bond formations. These findings illustrate the potential of CPL as a sustainable phenol substitute in industrial adhesive formulations and in other applications.
Article
Chemistry and Materials Science
Applied Chemistry

Kinga Wasiluk

,

Gabriela Kopacka

,

Michał Kopyt

,

Piotr Kwiatkowski

,

Paweł Majewski

,

Elżbieta Megiel

Abstract: This paper demonstrates the successful synthesis of novel hybrid heterogeneous catalysts for the sustainable conversion of CO2 into cyclic organic carbonates (COCs). The nanocat-alysts have been fabricated by encapsulating pre-formed ultra-small gold nanostructures into a nascent zinc-coordination polymer (ZnCP) framework formed from two organic building blocks: 2,4-naphthalenedicarboxylic acid (1,4-NDC) and 5-amino-1H-tetrazole (5-Atz), which serves as a nitrogen-rich ligand. Applying the fabri-cated catalysts in the synthesis of COCs yields high yields (up to 97%) and high selectivity (up to 100%), with exceptionally high turnover frequencies (TOFs) (up to 408 h-1). The cat-alytic process can be carried out under mild conditions (80°C, 1.5 MPa CO2) and without the use of solvents. Nitrogen-rich ligand molecules in the structure of ZnCPs enhance catalytic performance thanks to additional nucleophilic centres, which are effective in the epoxides' ring-opening process. The hybrid catalysts with encapsulated gold nanostructures, which modify the liquid-gas interface between epoxide and CO2, give significantly higher yields and TOFs for less active epoxides. The designed hybrid nanocatalysts exhib-it superior stability under the studied reaction conditions and can be reused without loss of activity. The developed coordination polymers are built of green components, and green chemistry principles are employed to prepare these catalytic materials.
Article
Chemistry and Materials Science
Applied Chemistry

Kateřina Hájková

,

Josef Bárta

,

Tomáš Holeček

,

Michaela Filipi

,

Jiří Synek

Abstract: This research investigates the potential of secondary lavender biomass (Lavandula officinalis) as a raw material for paper production within the context of the circular economy and its practical applications. Lavender stems, a by-product of essential oil extraction, were processed using the nitrate-alkali pulping method. The chemical composition of the raw material was analysed according to TAPPI standards, and the resulting pulp was characterised in terms of its mechanical and physical properties, including tensile strength and air permeability. Lavender stems contained 29.43% cellulose and 24.10% lignin, indicating moderate delignification efficiency. The pulp yield was 24.2% with a Kappa number of 15.9. Of the prepared sheets, the paper with a weight of 80 g·m⁻² showed the best mechanical properties, with a breaking length of 1.71 km and a tensile strength index of 16.76 N·m·g⁻¹.In addition, lavender-based paper demonstrated a repellent effect against textile moths (Tineola bisselliella), reducing insect activity by approximately 70% compared to control samples. This bioactivity is attributed to residual volatile compounds such as linalool and linalyl-acetate. Overall, lavender secondary biomass represents a promising non-wood fibre for the production of bio-degradable, functional paper materials that combine structural integrity with natural repellent properties.
Article
Chemistry and Materials Science
Applied Chemistry

Dirléia dos Santos Lima

,

Lucas Capello

,

Manuela de Santana Santos

,

Maria do Carmo Rangel

Abstract: Aiming to obtain chemicals from renewable sources to mitigate global warming, the catalytic pyrolysis of tamarind pulp, obtained from juice industries, was studied. Catalysts based on HZSM-5 zeolite prepared from rice husk ash using ultrasound, microwaves, and a combination of both were employed. The catalysts were characterized by elemental analysis, X-ray diffraction, specific surface area and porosity measurements, scanning electron microscopy, and acidity measurements. The specific surface areas and the micropore volumes were slightly affected by the treatments, microwave alone or combined with ultrasound, having the strongest effect. The number of acid sites increased, and the relative number of strong sites decreased with the treatments. The relative amount of Bronsted to Lewis sites was increased by ultrasound and decreased by microwave, alone or combined. These catalysts decreased oxygenated products and increased BTEX production during tamarind pulp pyrolysis. The product distribution was similar for all cases, meaning that HZSM-5 with the following characteristics are selective catalysts to BTEX in tamarind pulp pyrolysis: specific surface area= 310-347 m2/g; micropore volume= 0.099-0.105 cm3/g; acidity= 327 to 571 µmol NH3/gcat and Bronsted to Lewis acid sites ratio= 0.034 to 0.044.
Article
Chemistry and Materials Science
Applied Chemistry

Robert Meier

,

Paul R Rablen

Abstract: In this communication we provide the Group Contribution parameters for acetylenes and aromatic nitro compounds fitting with a recently developed Group Contribution method with chemical accuracy (1 kcal/mol) for the heat of formation of organics. These additional parameters widen the applicability of the Group Contribution method. We also provide further G4 quantum calculated values as reference when no experimental data are available and compare to previously reported G4 data.
Review
Chemistry and Materials Science
Applied Chemistry

Subramaniam Chidambaranathapillai

,

Christian Cravotto

,

Anna V. Kamler

,

Roman V. Nikonov

,

Manickam Sivakumar

,

Giancarlo Cravotto

Abstract: This overview is intended to shed light on the current state of knowledge on highly efficient cavitation reactors, which are used in industry yet often remain undisclosed. The development of ultrasound (US) and hydrodynamic cavitation (HC) reactors requires a thorough understanding and precise engineering to ensure the efficacy of cavitation processes in larger industrial settings. Successful scaling-up must maintain a high energy density and ensure a homogeneous distribution of cavitation. Industrial reactor designs for both US and HC are typically optimized for continuous flow operations, though some configurations operate in a loop system. This review provides a concise examination of various reactor setups, with examples of relevant chemical and environmental applications, focusing on energy consumption and scalability challenges. Despite the similarities in the effects of acoustic and hydrodynamic cavitation, US and HC are best regarded as complementary technologies in industrial applications. This work presents our direct experience in designing novel cavitation reactors for specific applications, incorporating recent advances from the literature and insights from industry. Notably, the synergistic effects of hybrid technologies are gaining attention, particularly the integration of HC with cold plasma, which is emerging as one of the most effective techniques for treating polluted water. These technologies play a crucial role in modern process engineering, and continued advancements in their design and understanding will further expand their industrial applications in chemical processing.
Review
Chemistry and Materials Science
Applied Chemistry

Pengyun Liu

,

Luisa Boffa

,

Giancarlo Cravotto

Abstract: Valorisation of agricultural wastes can improve the economic efficiency of crop production while reducing environmental pressures. Owing to its simplicity, high efficiency, low cost, and scalability, the use of biochar as an adsorbent for contaminant removal has been widely studied. Producing biochar from agricultural wastes and applying it to remove contaminants from aqueous and solid matrices, including wastewater and soils, follows the principles of the circular economy and supports environmental remediation and agricultural development. This review summarises adsorption mechanisms, biochar production routes from agricultural wastes, and applications in wastewater treatment. It also evaluates economic performance and environmental impacts, and identifies current challenges and future research directions.
Article
Chemistry and Materials Science
Applied Chemistry

Huma Amber

,

Aldona Balčiūnaitė

,

Virginija Kepenienė

,

Giedrius Stalnionis

,

Zenius Mockus

,

Loreta Tamašauskaitė-Tamašiūnaitė

,

Eugenijus Norkus

Abstract: Developing highly efficient and stable electrocatalysts from inexpensive and earth-abundant elements represents a significant advancement in the overall water splitting (OWS) process. This study focuses on the synthesis and evaluation of palladium-modified cobalt-phosphorus (PdCoP) and cobalt-iron-phosphorus (PdCoFeP) coatings for use as electrocatalysts in the HER, OER and OWS in alkaline media. For this purpose, a facile electroless plating method is adopted to deposit the CoP and CoFeP coatings onto a copper surface (Cu sheet), with sodium hypophosphite (NaH2PO2) acting as the reducing agent. Incorporating Pd crystallites on the CoP and CoFeP coatings using the galvanic displacement method has been shown to significantly improve catalytic performance. Accordingly, Pd modified CoFeP and CoP catalysts exhibited the lower overpotentials of 207 and 227 mV, respectively, for HER and 396 mV for OER at a current density of 10 mA cm−2 compared to the unmodified CoFeP and CoP catalysts. Simultaneously, the assembled electrolyzer comprising PdCoFeP as the cathode and the anode demonstrated a cell voltage of 1.69 V to achieve 10 mA cm−2. This study demonstrates that all the synthesized catalysts (CoP, CoFeP, PdCoP, and PdCoFeP) are effective and stable electrocatalysts for overall alkaline water splitting.
Review
Chemistry and Materials Science
Applied Chemistry

Maria Giovanna Buonomenna

,

Aliaksei Patonia

Abstract: As global efforts to decarbonize intensify, hydrogen produced via renewable electricity has emerged as a pivotal energy vector for a sustainable industrial future. This commentary offers a critical analysis of the current state of the hydrogen economy within Europe, detailing the core principles, operational mechanisms, and industrial progress of four primary water electrolysis technologies: alkaline (ALK), proton exchange membrane (PEM), solid oxide (SOEC), and anion exchange membrane (AEM). Furthermore, it explores the significant socio-political challenges inherent in producing green hydrogen in non-EU nations for subsequent import into the European market.
Review
Chemistry and Materials Science
Applied Chemistry

Iwona Kowalczyk

,

Adrianna Szulc

,

Bogumił Brycki

Abstract: Gemini surfactants, a unique class of amphiphilic molecules composed of two hydrophilic ammonium groups and two hydrocarbon tails connected by a spacer, have emerged as highly versatile functional agents with superior interfacial activity and self-assembly behavior compared to conventional monomeric analogs. Their structural tunability enables precise control over physicochemical properties, making them attractive for applications across diverse scientific and industrial domains. In biomedical sciences, gemini surfactants act as potent antimicrobial and antibiofilm agents, as well as efficient carriers for drug and gene delivery. In nanotechnology and optoelectronics, they facilitate the synthesis and stabilization of nanoparticles, quantum dots, and perovskite nanocrystals, leading to improved colloidal stability, enhanced photophysical performance, and extended material lifetimes. Within the petroleum industry, gemini surfactants have proven effective in enhanced oil recovery (EOR) by reducing interfacial tension, and in crude oil transportation as drag-reducing agents (DRAs), significantly lowering viscosity, turbulence, and pipeline energy losses. This review summarizes recent advances in the chemistry, mechanisms of action, and applications of gemini surfactants, highlighting their multifunctionality and emphasizing their potential in the development of next-generation sustainable technologies.
Article
Chemistry and Materials Science
Applied Chemistry

Shu-Yao Zhang

,

Xue-Min Wang

,

En-Peng Deng

,

Ya-Ni Zhang

,

Hui Zhu

,

Qiang Chen

,

Si-Wen Pan

,

Yu-Xin Miao

Abstract: In this study, series of Ag/Co-HAP catalysts were synthesized via a plasma-assisted method. Plasma, a partially ionized gas consisting of electrons, ions, neutral molecules, free radicals, photons, and excited species, serves as a highly reactive medium for catalyst modification. Its unique discharge properties enable effective modulation of active site dispersion, electronic structure, and metal-support interaction. The performance of catalysts prepared by conventional high-temperature calcination was compared with those treated by rapid plasma processing in the oxidative removal of toluene. The dielectric barrier discharge (DBD) plasma-treated catalyst exhibited superior low-temperature catalytic activity, achieving 100% toluene conversion at 275 °C with CO₂ selectivity of approximately 75%, outperforming its calcined counterpart. This work presents a facile approach for the preparation of Ag/5Co-HA-P catalysts. Owing to its precise control over catalyst architecture, combined with advantages such as low energy consumption, short processing time, and environmental friendliness, plasma treatment holds significant promise for applications in the field of catalysis.
Review
Chemistry and Materials Science
Applied Chemistry

Sotiris Lycourghiotis

,

Eleana Kordouli

Abstract: Biofuels and value-added chemicals can be produced using biomass. These prod-ucts can substitute the corresponding petroleum-based ones, reducing the carbon foot-print, ensuring domestic production and minimization/exploitation of organic wastes in a circular economy philosophy. Natural mineral-based catalysts seem to be a prom-ising, eco-friendly and low-cost approach for biomass valorization. This article at-tempts to highlight the potential of natural mineral-based catalysts for various pro-cesses targeting to the above valorization. Natural zeolites and clays can be used as catalysts/CO2 adsorbents and catalytic supports in various biorefinery processes (py-rolysis, gasification, hydrothermal liquefaction, esterification/transesterification, hy-drotreatment, cracking, isomerization, oxidation, condensation etc.). Acid/base and textural properties of these materials are key factors for their catalytic performance and can be easily regulated by suitable treatments discussed in this article. The appli-cation of natural minerals in biorefinery processes makes them greener, cost-affordable and easily scalable.
Article
Chemistry and Materials Science
Applied Chemistry

Tarawin Kiatlertpongsa

,

Jarupa Charoenrit

,

Jirawat Saetan

,

Supawadee Duangprom

,

Sineenart Songkoomkrong

,

Prateep Amonruttanapun

,

Piyapon Janpan

,

Prasert Sobhon

,

Sakda Daduang

,

Siriporn Nonkhwao

+1 authors

Abstract:

The reliance on synthetic repellents such as N,N-diethyl-meta-toluamide (DEET) has raised health and environmental concerns, prompting the search for safer, plant-derived alternatives. Catnip (Nepeta cataria L.) is a rich source of iridoid monoterpenes, particularly nepetalactones, which are well known for their strong insect-repellent properties. However, the efficient extraction of nepetalactones remains challenging, and their precise mechanisms of action in insect inhibition are not yet fully understood. Thus, this study investigated the chemical composition from various methods, protein–ligand interactions, and pharmacokinetic safety profiles of catnip-derived compounds compared to DEET, with a focus on their interactions with odorant-binding proteins (OBPs) from Anopheles gambiae (AgamOBP), Culex quinquefasciatus (CquiOBP), and Aedes aegypti (AaegOBP). Gas chromatography–tandem mass spectrometry (GC–MS/MS) confirmed the presence of nepetalactone isomers as the major constituents in catnip extracts obtained through stream distillation and dried leaves extracted in olive oil fractions. Molecular docking revealed that cis,cis- and cis,trans-nepetalactones and nepetalactone exhibited high binding affinities, surpassing those of DEET. Molecular dynamics simulations demonstrated that all OBP–ligand complexes achieved stable conformations. Notably, cis,trans-nepetalactone formed a more stable complex with AgamOBP than DEET. These findings suggest that nepetalactones stabilize OBP–ligand interactions while inducing subtle conformational flexibility, potentially disrupting mosquito odorant recognition in a manner distinct from DEET. ADMET predictions indicated that nepetalactones exhibit favorable absorption, distribution, and safety profiles with reduced predicted toxicity compared to DEET. Collectively, these results establish nepetalactones as promising candidates for the development of effective, safe, and sustainable plant-based repellents.

Article
Chemistry and Materials Science
Applied Chemistry

Aitugan Sabitov

,

Seitzhan Turganbay

,

Almagul Kerimkulova

,

Yerlan Doszhanov

,

Karina Saurykova

,

Meiram Atamanov

,

Arman Zhumazhanov

,

Didar Bolatova

Abstract: Iodine deficiency remains a significant nutritional problem, which stimulates the search for sustainable approaches to biofortification of vegetable crops. The aim of the work was to develop a "smart" bio-iodine fertilizer based on the organoiodide complex 1-carboxy-2-phenylethan-1-aminium iodide 2-azaniumyl-3-phenylpropanoate (PPI) and highly porous biochar from agro-waste, assessing its efficiency on the parsley model. PPI was synthesized and characterized (IR/UV spectroscopy, thermal analysis), biochar was obtained by KOH activation and studied by low-temperature nitrogen adsorption (S_BET) methods, as well as standard physicochemical characterization. The granulated composition PPI + biochar (BIOF) was tested in pot experiments in comparison with KI and control; The biomass of leaves and roots, iodine and organic nitrogen content, and antioxidant indices (ascorbic acid, total polyphenols, antioxidant activity) were assessed. BIOF provided a significant increase in yield and nutrition: leaf mass reached 86.55 g/plant versus 77.72 g/plant with KI and 65.04 g/plant in the control; root mass — up to 8.25 g/plant (p<0.05). Iodine content in leaves and roots increased to 11.86 and 13.23 mg/kg (d. w.), respectively, while organic nitrogen levels increased simultaneously (57.37 and 36.63 mg/kg). A significant increase in the antioxidant status was noted (ascorbic acid 36.46 mg/100 g dry weight; antioxidant activity 44.48 mg GA/g; polyphenols 23.79 mg GA/g). The presented data show that the combination of PPI with activated biochar forms an effective platform for controlled supply of iodine to plants, increasing the yield and functional qualities of products; the prospects for implementation are associated with field trials and dosage optimization.
Article
Chemistry and Materials Science
Applied Chemistry

Themba E. Tshabalala

Abstract: Aromatic compounds are a major component of the chemical industry, and hence the aromatization reactions of light hydrocarbons have attracted significant interest. In this study, we investigate the influence of the crystallinity of the H-ZSM-5 zeolites on the aromatization of n-hexane. The aromatization of n-hexane was studied over H-ZSM-5 Ga/H-ZSM-5, Zn/H-ZSM-5, and Mo/H-ZSM-5 catalysts, with H-ZSM-5 having different %XRD crystallinity between 17 and 86%. The SiO2/Al2O3 ratio was kept constant at 35. The 2wt.% metal-modified H-ZSM-5 catalysts were prepared by the incipient impregnation method and calcined at 500 °C. Aromatization reactions were carried out at 500 °C. BET, FTIR XRD, SEM, NH3-TPD, and XRD were used for the characterization of the catalysts in a preliminary attempt to correlate the structure and catalytic behaviour. The results on the effect of the percentage of XRD crystallinity (from 17 to 86%) of H-ZSM-5 on the activity of H-ZSM5 modified by loading 2 wt.% of metal showed that the conversion of n-hexane increased with %XRD. The Ga/H-ZSM-5 and Zn/H-ZSM-5 catalysts with% XRD greater than 30% were more aromatic selective than the Mo/H-ZSM-5 catalysts. Mo/H-ZSM-5 catalysts were more selective to cracked products due to the absence of the dehydrogenation activity possessed by gallium and zinc metals.
Article
Chemistry and Materials Science
Applied Chemistry

Agnieszka Węgrzyn

,

Alicja Katarzyńska

,

Paweł Miśkowiec

,

Wacław Makowski

Abstract: This study explores the catalytic performance of V3+-modified Mg/Al hydrotalcite-derived materials in the oxidative dehydrogenation (ODH) of n-butane, compared with catalysts derived from pyrovanadate and decavanadate precursors. Different methods for preparing hydrotalcite-like materials were applied to obtain vanadium-containing Mg-Al mixed oxide catalysts for n-butane ODH. The hydrotalcite-like precursors were doped with vanadates (V5+) via ion exchange or co-precipitation, or with V3+ cations incorporated into brucite-like layers. During calcination in air or argon flow, different vanadium-containing phases were obtained. Our findings demonstrate that V3+-doped hydrotalcites exhibit superior activity and selectivity toward total C4H8 products, with enhanced selectivity for 1,3-butadiene. The highest n-butane conversion was observed for catalysts with an MgO structure and vanadium dispersed in the oxide matrix. A similar conversion level (~44%) was obtained for a spinel-like Mg2VO4 catalyst, but only 15% for the highly crystalline α-Mg2V2O7 catalyst. In contrast, the highest selectivities toward dehydrogenated products were observed for V3+-containing and α-Mg2V2O7 catalysts. NH3-TPD and CO2-TPD analyses showed that high basicity combined with low acidity favors the formation of butene isomers and 1,3-butadiene. This work highlights the strategic potential of tailoring vanadium speciation and hydrotalcite-based catalyst design for low-carbon chemical manufacturing, supporting the transition toward a circular economy.
Article
Chemistry and Materials Science
Applied Chemistry

Vera Solovyeva

,

Maxim Orlov

,

Vyacheslav Grokhovsky

,

Roman Borisov

,

Anastasiya Kanateva

,

Galina Petukhova

,

Ivan Pytskii

,

Ibrahim Atwah

,

Mohammed Abu Alreesh

Abstract:

Geochemical exploration offers a cost-effective means of identifying subsurface oil and gas accumulations through the detection of volatile organic compounds (VOCs), which serve as markers of underlying hydrocarbon systems. These indicators may appear as visible macroseeps or as subtle microseepage, detectable only through advanced analytical methods. A widely used approach involves deploying specialized sorbent materials a few meters below the surface to capture VOCs, followed by gas chromatography–mass spectrometry (GC-MS) for analysis. Given the range of available adsorbents, selecting materials with optimal performance is critical. We developed a laboratory method to evaluate the adsorption affinity of various commercial and custom-made sorbents toward hydrocarbon mixtures, including nitrogen-, oxygen-, and sulfur-containing derivatives. Using natural crude oil in a simulated microseepage setup, we screened a library of sorbents to identify those most effective for capturing oil-related markers. The complexity of the VOC mixtures required advanced separation, for which we employed two-dimensional high-resolution gas chromatography with time-of-flight mass spectrometry (HR-GCxGC-TOF-MS). The screening revealed clear differences in sorbent performance based on analyte diversity and concentration, assessed through thermal desorption/HR-GCxGC-MS and BET surface area analysis. Two custom sorbents, composed of carbon nanomaterials, outperformed a commercial benchmark in both adsorption capacity and analyte diversity, making them strong candidates for future field deployment in surface geochemical exploration.

Article
Chemistry and Materials Science
Applied Chemistry

Antonija Jelčić

,

Stanislava Talić

,

Ilijana Odak

,

Paula Pongrac

,

Dora Štefok

,

Martina Bosnar

,

Irena Škorić

Abstract: (1) Background: This study presents the synthesis and biological evaluation of a novel series of charged thienobenzo-1,2,3-triazolinium salts (1–17) as inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), enzymes relevant to Alzheimer's disease therapy. (2) Methods: The compounds were synthesized via a photochemical method and subsequently converted into corresponding bromide salts. Their structures were confirmed using NMR and HRMS analyses. (3) Results: In vitro testing showed that all synthesized compounds exhibit moderate to strong BChE inhibition and, to a lesser extent, AChE inhibition. Compounds 8 and 11 emerged as the most potent AChE inhibitors (IC50 ~ 2.6–3.2 µM), while compounds 1, 2, and 8 demonstrated excellent and selective BChE inhibition (IC50 ~ 0.3–0.4 µM), outperforming the reference drug galantamine. Anti-inflammatory evaluation revealed limited activity, with compound 17 slightly reducing LPS-induced TNF-α production at the highest tested concentration. (4) Conclusions: These findings highlight the role of electric charge and substituent type in modulating biological activity and confirm the therapeutic potential of these molecules as dual cholinesterase inhibitors for further development in neurodegenerative disease treatment.

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