MoleculesPub Date : 2025-05-02DOI: 10.3390/molecules30092025
Muhammad Yasir, Jinyoung Park, Eun-Taek Han, Jin-Hee Han, Won Sun Park, Jongseon Choe, Wanjoo Chun
{"title":"Investigating Natural Product Inhibitors of IKKα: Insights from Integrative In Silico and Experimental Validation.","authors":"Muhammad Yasir, Jinyoung Park, Eun-Taek Han, Jin-Hee Han, Won Sun Park, Jongseon Choe, Wanjoo Chun","doi":"10.3390/molecules30092025","DOIUrl":"10.3390/molecules30092025","url":null,"abstract":"<p><p>Nuclear factor-κB (NF-κB) signaling plays a pivotal role in regulating immune responses and is strongly implicated in cancer progression and inflammation-related diseases. The inhibitory κB kinases (IKKs), particularly IKKα, are central to modulating NF-κB activity, with distinct roles in the canonical and non-canonical signaling pathways. This study investigates the potential of selectively targeting IKKα to develop novel therapeutic strategies. A receptor-ligand interaction pharmacophore model was generated based on the co-crystallized structure of IKKα, incorporating six key features, two hydrogen bond acceptors, two hydrogen bond donors, one hydrophobic region, and one hydrophobic aromatic region. This model was used to virtually screen a diverse natural compound library of 5540 molecules, yielding 82 candidates that matched the essential pharmacophore features. Molecular docking and molecular dynamics simulations were subsequently employed to evaluate binding conformations, stability, and dynamic behavior of the top hits. The end-state free energy calculations (gmx_MMPBSA) further validated the interaction strength and stability of selected compounds. To experimentally confirm their inhibitory potential, key compounds were tested in LPS-stimulated RAW 264.7 cells, where they significantly reduced IκBα phosphorylation. These findings validate the integrative computational-experimental approach and identify promising natural compounds as selective IKKα inhibitors for further therapeutic development in cancer and inflammatory diseases.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073143/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144004100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-05-02DOI: 10.3390/molecules30092024
Agnieszka Maria Kołodziejczyk, Magdalena Grala, Łukasz Kołodziejczyk
{"title":"Evaluation of PAMAM Dendrimer-Stabilized Gold Nanoparticles: Two-Stage Procedure Synthesis and Toxicity Assessment in MCF-7 Breast Cancer Cells.","authors":"Agnieszka Maria Kołodziejczyk, Magdalena Grala, Łukasz Kołodziejczyk","doi":"10.3390/molecules30092024","DOIUrl":"10.3390/molecules30092024","url":null,"abstract":"<p><p>Gold nanoparticles stabilized with polyamidoamine dendrimers are one of the potential candidates for use as a contrast agent in computed tomography and a drug delivery agent. This work demonstrates a rapid, two-step synthesis of such complexes, which are size-stable for up to 18 months. The first step of the synthesis involves a short sonication of gold (III) chloride hydrate with polyamidoamine dendrimers of the fourth generation, while the second step uses microwaves to reduce gold (III) chloride hydrate with sodium citrate. The developed synthesis method enables rapid production of spherical and monodisperse gold nanoparticles stabilized with polyamidoamine dendrimers. Physicochemical characterization of the gold nanoparticle-polyamidoamine dendrimers complexes was performed using ultraviolet-visible spectroscopy, dynamic light scattering technique, infrared spectroscopy, atomic force microscopy, and transmission electron microscopy. The toxicity of synthesized complexes on the breast cancer MCF-7 cell line has been studied using the tetrazolium salt reduction test. The produced gold nanoparticles revealed lower toxicity levels on the MCF-7 cell line after 18 months from synthesis compared with newly synthesized colloids. Synthesized gold nanoparticles stabilized with dendrimers and commercially available gold nanoparticles stabilized with sodium citrate show similar toxicity levels on breast cancer cells.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073455/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143972037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-05-01DOI: 10.3390/molecules30092022
Hye-Jung Yang, Jae-Sung Shin, Seon-Min Oh, Ji-Eun Bae, Sang-Jin Ye, Hyun-Wook Choi, Moo-Yeol Baik
{"title":"Enhancing Antioxidant and Anti-Inflammatory Activities of Garlic by Puffing.","authors":"Hye-Jung Yang, Jae-Sung Shin, Seon-Min Oh, Ji-Eun Bae, Sang-Jin Ye, Hyun-Wook Choi, Moo-Yeol Baik","doi":"10.3390/molecules30092022","DOIUrl":"10.3390/molecules30092022","url":null,"abstract":"<p><p>Garlic (<i>Allium sativum</i> L.) is well known for its numerous health benefits; however, its strong flavor and aroma may limit its consumption due to gastrointestinal discomfort. This study aimed to evaluate puffing as a novel garlic processing method and compare the properties of puffed garlic with those of raw and black garlic (BG). Puffing was applied at different pressures after adjusting moisture content, resulting in significant physicochemical changes, including increased browning and the development of a porous, crunchy texture. In contrast, BG exhibited a black coloration and a gelatinous texture. Puffing resulted in a marked improvement in extraction yield (except at 196 kPa) and an increase in Maillard reaction products (MRPs), which correlated with the intensity of browning. Although the total phenolic content (TPC) and total flavonoid content (TFC) increased three-fold and eight-fold, respectively, compared to raw garlic, the antioxidant activities determined by DPPH and ABTS radical scavenging activities increased by 22-fold and 61-fold, respectively, compared to raw garlic. All garlic samples demonstrated anti-inflammatory activity, with puffing pressure significantly influencing the suppression of IL-6 production. While BG is widely recognized for its enhanced health-promoting properties, puffed garlic exhibited comparable antioxidant and anti-inflammatory benefits in a shorter time frame and with a better retention of garlic's original flavor. These findings highlight puffing as an efficient and promising alternative to traditional garlic processing, enhancing functionality while reducing sensory drawbacks.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073988/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144019539","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-05-01DOI: 10.3390/molecules30092023
Yayra T Tuani, Navid J Ayon, Rosemary M Onjiko, Sam B Choi, Shruti Yadav, Ioannis Eleftherianos, Peter Nemes
{"title":"Capillary Electrophoresis Electrospray Ionization Mass Spectrometry Reveals Metabolic Perturbations During Nematode Infection in <i>Drosophila melanogaster</i>.","authors":"Yayra T Tuani, Navid J Ayon, Rosemary M Onjiko, Sam B Choi, Shruti Yadav, Ioannis Eleftherianos, Peter Nemes","doi":"10.3390/molecules30092023","DOIUrl":"10.3390/molecules30092023","url":null,"abstract":"<p><p><i>Drosophila melanogaster</i> is broadly used to model host-pathogen interactions. Entomopathogenic nematodes are excellent research tools for dissecting the molecular and functional basis of parasitism and the host's anti-parasitic response. In this work, we used discovery metabolomics to explore the differences in the metabolome composition of wild type <i>D. melanogaster</i> larvae that were infected with symbiotic nematodes (<i>Steinernema carpocapsae</i> carrying <i>Xenorhabdus nematophila</i> mutualistic bacteria) or axenic nematodes (<i>S. carpocapsae</i> lacking their bacterial partners). Benefiting from their high separation power, sensitivity, and compatibility with low amounts of the starting metabolome, we leveraged microanalytical capillary electrophoresis electrospray ionization mass spectrometry (CE-ESI-MS) to profile the small (<500 Da) polar portion of the metabolome among these experimental treatments. We detected and quantified 122 different small molecules, of which 50 were identified with high confidence. Supervised multivariate analysis revealed that the infection was paralleled with changes in amino acid biosynthesis (arginine, phenylalanine, tryptophan, and tyrosine), metabolism (alanine, arginine, aspartate, glutamate, glycine, proline, serine, and threonine), and classical signalling (aspartate, γ-aminobutyrate, glutamate, and pyridoxine). This study demonstrates the ability of high-sensitivity CE-ESI-MS to uncover metabolic perturbations during infection. The results from the metadata may facilitate the design of targeted studies to explore small biomolecules and their functions during host-pathogen interaction.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073451/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144063582","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-04-30DOI: 10.3390/molecules30091999
Maria F Martins, Francisco Ribeiro, Ana Borges, Ricardo C Calhelha, Nuno Santarém, Anabela Cordeiro-da-Silva, Maria-João R P Queiroz
{"title":"Synthesis of Tricyclic and Tetracyclic Lactone Derivatives of Thieno[2,3-<i>b</i>]pyrazine or Thieno[2,3-<i>b</i>]quinoline: Preliminary Antitumor and Antiparasitic Activity Evaluation.","authors":"Maria F Martins, Francisco Ribeiro, Ana Borges, Ricardo C Calhelha, Nuno Santarém, Anabela Cordeiro-da-Silva, Maria-João R P Queiroz","doi":"10.3390/molecules30091999","DOIUrl":"10.3390/molecules30091999","url":null,"abstract":"<p><p>Tricyclic and tetracyclic lactone derivatives of thieno[2,3-<i>b</i>]pyrazine or thieno[2,3-<i>b</i>]quinoline, and 2<i>H</i>-pyrones were prepared using different methodologies. Pd/Cu-catalyzed Sonogashira coupling using Et<sub>3</sub>N as a base, of methyl 7-bromothieno[2,3-<i>b</i>]pyrazine-6-carboxylate and (het)arylalkynes to yield the Sonogashira ester products, gave also the corresponding tricyclic lactones as minor products. However, the major products did not cyclize with TFA. Tricyclic lactones were then obtained by a tandem one-pot Sonogashira coupling and 6-<i>endo-dig</i> lactonization of 7-bromothieno[2,3-<i>b</i>]pyrazine-6-carboxylic acid with (het)arylalkynes, in good yields. Halogenated tricyclic lactones were synthesized by halocyclization using CuX and NXS. Tetracyclic lactones were synthesized through a Rh(III)-catalyzed formal [4+2] cycloaddition, between thieno[2,3-<i>b</i>]quinoline-2-carboxylic acid and internal alkynes, triggered by C-H activation, with the carboxylic group acting as a directing group. Using the SRB assay, the antitumor activity of both Sonogashira products and lactones was evaluated across five human cancer cell lines (CaCo-2, MCF-7, AGS, HeLa, NCI-H460). The best-performing compound was a Sonogashira product showing a GI<sub>50</sub> < 10 µM in all tumor cell lines and low toxicity in PLP2 cells. Additionally, antiparasitic testing against <i>Trypanosoma brucei</i> and <i>Leishmania infantum</i> revealed some compounds with IC<sub>50</sub> < 11 µM, though some level of cytotoxicity was observed in THP-1-derived macrophages.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073635/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143972041","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-04-30DOI: 10.3390/molecules30092002
Yuan Chen, Li Chen, Hao Li, Bin Zhang, Marie-Christine Record, Pascal Boulet, Juan Wang, Jan-Michael Albina, Yi Yang, Weiliang Ma
{"title":"Triethylamine-Capped Calcium Phosphate Oligomers/Polyacrylamide Synergistically Reinforced <i>α</i>-Hemihydrate Gypsum Composites: A Mechanistic Study on Mechanical Strengthening via Organic/Inorganic Interpenetrating Networks.","authors":"Yuan Chen, Li Chen, Hao Li, Bin Zhang, Marie-Christine Record, Pascal Boulet, Juan Wang, Jan-Michael Albina, Yi Yang, Weiliang Ma","doi":"10.3390/molecules30092002","DOIUrl":"10.3390/molecules30092002","url":null,"abstract":"<p><p>In this study, a novel calcium phosphate/polyacrylamide copolymer/α-type hemihydrate gypsum (CPO/PAM/α-HHG) composite material was prepared by polymerising a stable inorganic CPO precursor, end-capped with triethylamine (TEA), with an organic polyacrylamide (PAM) hydrogel to form a CPO/PAM precursor solution. Subsequently, this precursor solution was mixed with inorganic α-hemihydrate gypsum. The effects of CPO/PAM precursor addition and CPO addition on the slurry flowability, initial setting time, and mechanical properties of hardened specimens of the CPO/PAM/α-HHG composite were investigated. The structural characteristics of the composites were analysed by XRD, FE-SEM, and TGA. The results show that the initial setting time of the CPO/PAM/α-HHG composites was 26.7 min, which was 140.5% longer than that of the pure water α-HHG system and 3.9% longer than that of the PAM/α-HHG system; additionally, the oven-dried specimens had a flexural strength of 27.59 MPa and a compressive strength of 68.48 MPa, which were 77.2% and 102.0% higher than those of the pure water α-HHG system and 38.8% and 14.1% higher than those of the PAM/α-HHG system, respectively. The wet compressive strength of the CPO/PAM/α-HHG composites was improved by 11.8% compared to that of the PAM/α-HHG system. A structural analysis showed that CPO promoted the gelation process of PAM and allowed the hydration reaction process of α-HHG to be fully carried out by slowing down the gelation process of the organic network, which led to the full development of both organic and inorganic networks, ultimately forming an interspersed inorganic/organic dual-network structure, which enhanced the comprehensive mechanical properties of the composites. This study provides a new idea for the modification of α-type hemihydrate gypsum and a new method for the preparation of high-utilisation and high-performance gypsum-based composites.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073873/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144011796","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-04-30DOI: 10.3390/molecules30092006
Jacques Connan, Julie Bonnéric, Rémi Perrogon, Michael H Engel, Renaud Gley, Alex Zumberge, Philippe Schaeffer
{"title":"Geochemical Study of Bitumen Residues on Potsherds from the al-Qusur Monastery (7th-9th c. CE): Composition and Origin.","authors":"Jacques Connan, Julie Bonnéric, Rémi Perrogon, Michael H Engel, Renaud Gley, Alex Zumberge, Philippe Schaeffer","doi":"10.3390/molecules30092006","DOIUrl":"10.3390/molecules30092006","url":null,"abstract":"<p><p>Geochemical and isotopic analysis of bitumen lining potsherds from the al-Qusur monastery (second half of the 7th c. CE and the middle of the 9th c. CE), at the central part of Failaka Island (Kuwait Bay), confirms the presence of two distinct compositional categories that can be matched to contemporary sources from two different areas of Iran: the Kermanshah province on one side, and the Khuzestan-Fars-Busher provinces on the other side. Potsherds comprise different types: TORP-S amphorae, TORP-C amphorae, SPORC storage jar, turquoise alkaline-glazed jar (TURQ.T), and CREAC jar. There is no relationship between the type of potsherd and the origin of bitumen. The bitumen coating SPORC jar, first identified as a kind of juice strainer to filter the «garum-like juice», was examined in greater details to try to identify traces of fish sauce mentioned in the Arabic kitchen books as '<i>murri'</i>, and quite similar to the Roman <i>garum.</i> The mineralogical analysis exhibits the classical minerals of archaeological mixtures (quartz, calcite, dolomite) and no halite. Hydrocarbons, alcohols, and methyl esters show a typical biodegraded bitumen signature but no fatty acids and terpenoids. It seems that the bitumen matrix has not adsorbed any molecules from the presumed «<i>garum</i>» filtered in the basin.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073581/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144008509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Modification and Application of Natural Clinoptilolite and Mordenite from Almaty Region for Drinking Water Purification.","authors":"Mudasir Zahid, Yerlan Doszhanov, Karina Saurykova, Noorahmad Ahmadi, Didar Bolatova, Meruyert Kurmanbayeva, Akbope Aydarbek, Rahmuddin Ihsas, Makpal Seitzhanova, Dana Akhmetzhanova, Almagul Kerimkulova, Ospan Doszhanov","doi":"10.3390/molecules30092021","DOIUrl":"10.3390/molecules30092021","url":null,"abstract":"<p><p>In this paper, the modification of natural clinoptilolite and mordenite zeolites from Almaty using acid treatment is addressed for the purposes of improving adsorption performance and for drinking water purification. Structural chemical transformation was characterized by the use of X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and Scanning electron microscope (SEM) techniques. Acid treatment led to a partial dealumination that was responsible for an increase in the number of surface defects and micropores, improvement in ion exchange capacity, and selectivity toward heavy metals. Additionally, modifications greatly enhance the uptake capacities of Pb<sup>2+</sup>, Cd<sup>2+</sup>, and As<sup>3+</sup>. The clinoptilolite post-modification removal efficiencies reached 94%, 86%, and 84%, respectively, while mordenite zeolites achieved 95%, 90%, and 87% removal efficiencies, respectively. The enhancement of performance was related to the increase in surface area and active sites for ion exchange, verified from analysis of the Brunauer-Emmett-Teller (BET) surface area. The use of different Bhatt and Kothari methods has revealed that adsorption processes followed Langmuir isotherm models for Pb<sup>2+</sup> and Cd<sup>2+</sup>, whereas As<sup>3+</sup> adsorption was better described by the Freundlich isotherm model. However, second-order kinetics indicate that chemisorption was the dominant mechanism. Such evidence indicates spontaneity and an endothermic process, as shown from thermodynamic studies. Results showed that modified zeolites indeed had a high degree of reusability, with over 80% of the adsorption capacity retained even after five cycles. Acid-modified zeolites can provide cheaper, greener methods of purification, generating only negligible secondary waste when compared to conventional methods of water purification, for example, activated carbon and membrane filtration. Results from this study proved that modified clinoptilolite and mordenite zeolites have the potential for sustainable heavy metal treatment in drinking water purification systems.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073314/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144063964","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-04-30DOI: 10.3390/molecules30092011
Ningwen Yang, Yijia Chang, Jiangyue Wang, David James Young, Hong-Xi Li, Yuxin Lu, Zhi-Gang Ren
{"title":"Recoverable and Sensitive Pressure-Induced Mechanochromic Photoluminescence of a Au-P Complex.","authors":"Ningwen Yang, Yijia Chang, Jiangyue Wang, David James Young, Hong-Xi Li, Yuxin Lu, Zhi-Gang Ren","doi":"10.3390/molecules30092011","DOIUrl":"10.3390/molecules30092011","url":null,"abstract":"<p><p>A binuclear Au-P complex [Au<sub>2</sub>(2-bdppmapy)<sub>2</sub>](PF<sub>6</sub>)<sub>2</sub> (<b>1</b>) was synthesised by the reaction of 2-bdppmapy (N,N'-bis-(diphenylphosphanylmethyl-2-aminopyridine) with AuCN and [Cu(MeCN)<sub>4</sub>]PF<sub>6</sub>. The solid phase of <b>1</b> emitted bright yellow phosphorescence at <i>λ</i><sub>max</sub> = 580 nm under UV excitation (QY = 4.41%, τ = 1.88 μs), which shifted to green (<i>λ</i><sub>max</sub> = 551 nm, QY = 5.73%) after being pressurised under 5 MPa. This colour change was recoverable upon exposure to CH<sub>2</sub>Cl<sub>2</sub> vapor. Similar mechanochromic photoluminescence behaviour was observed after grinding the crystals of <b>1</b>. A filter paper impregnated with <b>1</b> demonstrated recyclable write/erase functionality for encrypted information transfer.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073243/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144029093","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-04-30DOI: 10.3390/molecules30091997
Anna Dotti, Marianna Guagliano, Vittorio Ferretti di Castelferretto, Roberto Scotti, Simone Pedrazzi, Marco Puglia, Romano V A Orrù, Cinzia Cristiani, Elisabetta Finocchio, Andrea Basso Peressut, Saverio Latorrata
{"title":"Self-Standing Adsorbent Composites of Waste-Derived Biochar and Reduced Graphene Oxide for Water Decontamination.","authors":"Anna Dotti, Marianna Guagliano, Vittorio Ferretti di Castelferretto, Roberto Scotti, Simone Pedrazzi, Marco Puglia, Romano V A Orrù, Cinzia Cristiani, Elisabetta Finocchio, Andrea Basso Peressut, Saverio Latorrata","doi":"10.3390/molecules30091997","DOIUrl":"10.3390/molecules30091997","url":null,"abstract":"<p><p>Adsorption is one of the simplest and most cost-effective techniques for water decontamination. In this field, biochar has recently emerged as a promising alternative to traditional adsorbents, exhibiting a high surface area and affinity to metal ions, as well as often being waste-derived. Similarly, reduced graphene oxide (rGO) shows an excellent adsorption capacity. Having self-assembling properties, it has already been employed to obtain self-standing heavy-metal-adsorbing membranes. In this research, a novel self-standing membrane of biochar and rGO is presented. It was obtained through an eco-friendly method, consisting of the simple mechanical mixing of the two components, followed by vacuum filtration and mild drying. Vine pruning biochar (VBC) was employed in different rGO/biochar mass ratios, ranging from 1/1 to 1/9. The best compromise between membrane integrity and biochar content was achieved with a 4/6 proportion. This sample was also replicated using chestnut-shell-derived biochar. The composite rGO-biochar membranes were characterized through XRD, FTIR-ATR, TG-DTG, SEM-EDX, BET, ZP, particle dimension, and EPR analyses. Then, they were tested for metal ion adsorption with 10 mM Cu<sup>2+</sup> and 100 mM Zn<sup>2+</sup> aqueous solutions. The adsorption capacity of copper and zinc was found to be in the range of 1.51-4.03 mmol<sub>Cu</sub> g<sup>-1</sup> and 18.16-21.99 mmol<sub>Zn</sub> g<sup>-1</sup>, respectively, at an acidic pH, room temperature, and contact time of 10 min. Interestingly, the composite rGO-biochar membranes exhibited a capture behavior between that of pure rGO and VBC.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073704/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143972260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}