{"title":"Unravelling the sensing mechanism of bis-urea macrocycle-based anion receptor: a theoretical study","authors":"G.S. Gopika Krishnan, K. Muraleedharan","doi":"10.1016/j.supmat.2025.100111","DOIUrl":"10.1016/j.supmat.2025.100111","url":null,"abstract":"<div><div>Understanding how the bis-urea macrocycle molecules can sense different invited anionic substances is becoming increasingly crucial. In this context, we have theoretically studied a new host-guest such as the interaction of 7,13-dibromo-1,4,8,11-tetraazacyclotetradecane-5,12‑dione (BUM) with the anions like SO<sub>4</sub><sup>2−</sup>, SO<sub>3</sub><sup>2−</sup>, CH<sub>3</sub>COO<sup>−</sup>, NO<sub>2</sub><sup>−</sup>, and NO<sub>3</sub><sup>−</sup>. DFT and TD-DFT are used to calculate thermodynamics, electronic structure, electric-field induced properties, and photo-physical characteristics in order to investigate the mechanism of selective sensing of these anions. The free energy change (ΔG<sub>ads</sub>) and adsorption energies (E<sub>ads</sub>) suggest that these anionic interactions are thermodynamically feasible with strong to moderate adsorption energy with the receptor. The conductivity and sensitivity between the anions can be improved by the external electric field regulated investigation. Because of the intramolecular charge transfer transitions, internal conversions, and related configurational modifications, BUM-SO<sub>3</sub><sup>2−</sup> exhibits good fluorescence in the BUM-anion complexes, indicating its significance for practical utility.</div></div>","PeriodicalId":101187,"journal":{"name":"Supramolecular Materials","volume":"4 ","pages":"Article 100111"},"PeriodicalIF":0.0,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144502761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dongdong Yan , Shilei Zhu , Hongyao Zhao , Shanhao Feng , Beibei Kang , Xin Yang , Yanjing Zhang , Zhuangzhuang Li , Wenwen Yu , Ya Nan Ye
{"title":"Organic-inorganic nanocomposite organogel with double-network topology for enhanced mechanical and dielectric properties","authors":"Dongdong Yan , Shilei Zhu , Hongyao Zhao , Shanhao Feng , Beibei Kang , Xin Yang , Yanjing Zhang , Zhuangzhuang Li , Wenwen Yu , Ya Nan Ye","doi":"10.1016/j.supmat.2025.100112","DOIUrl":"10.1016/j.supmat.2025.100112","url":null,"abstract":"<div><div>Conventional artificial nanocomposites often rely on simple blending, which can lead to agglomeration and interfacial incompatibility between the organic and inorganic phases. In contrast, natural mineralized tissues like bone and teeth exhibit outstanding mechanical performance through nanoscale, interpenetrating organic-inorganic networks. Inspired by these naturally integrated architectures, we report a double-network (DN) organic-inorganic organogel composite formed by topologically interweaving self-assembled polyoxometalate sub-nanowires (SNWs) with a poly(tert‑butyl acrylate) (PtBA) matrix. The SNWs feature sub-nanometer diameters and flexibility similar to polymer chains, enabling them to form an inorganic network that seamlessly integrates with the organic phase. This continuous, interpenetrating DN structure enhanced key mechanical properties—including tensile strength, stiffness, and toughness—while simultaneously regulating dielectric properties such as dielectric permittivity and electrical breakdown strength, yielding a versatile, multifunctional platform. Overall, this design strategy paves the way for bioinspired advanced materials that merge mechanical robustness with customizable functionalities derived from inorganic components, promising applications in flexible electronics and functional structural materials.</div></div>","PeriodicalId":101187,"journal":{"name":"Supramolecular Materials","volume":"4 ","pages":"Article 100112"},"PeriodicalIF":0.0,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144480812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Moses Kumi , Zishuo Hou , Yibo Zhang , Yutian Yang , Chang Han , Tengjiao Wang , Peng Li
{"title":"3D printed chitosan-based flexible electrode with antimicrobial properties for electrical stimulation therapy in wound healing","authors":"Moses Kumi , Zishuo Hou , Yibo Zhang , Yutian Yang , Chang Han , Tengjiao Wang , Peng Li","doi":"10.1016/j.supmat.2025.100110","DOIUrl":"10.1016/j.supmat.2025.100110","url":null,"abstract":"<div><div>Enhanced bioelectrical stimulation near wound sites plays a crucial role in promoting the wound healing cascade, such as, supporting regular collagen deposition, proper extracellular matrix (ECM) remodeling. This study presents an antimicrobial porous flexible hydrogel electrode (APFE) for personalized electrical stimulation (ES) therapy, targeting infected diabetic wound healing. The APFE addresses these limitations by combining the antimicrobial properties of quaternary ammonium-modified chitin with the conductive polymer PEDOT: PSS, creating a flexible, wound-conforming electrode. Fabricated using 3D printing technology, the APFE can be tailored to conform to the unique anatomical contours of a patient’s wound, thereby enhancing its ability to support cell migration and proliferation– critical processes that ultimately accelerate wound healing. Characterization studies show that the APFE exhibits a tensile strength around ≈2.43± 0.57 MPa, and a stretchability of approximately ≈48.91 ± 2.84 %, closely matching skin flexibility (54 ± 17 %). The electrode’s porous and hydrophilic structure enhances moisture retention, making it suitable for diverse wound environments. <em>In vitro</em> results demonstrated good cell viability and around 85.71 % and 93.65 % bacterial inhibition for pathogens like Methicillin-resistant <em>Staphylococcus aureus (</em>MRSA<em>)</em> and <em>Escherichia coli (E. coli)</em> respectively in APFE 3<em>. In vivo</em> studies using infected diabetic mouse wounds demonstrated accelerated wound closure approaching 98.99 % in APFE 3 by Day 14, compared to 79.53 % in controls. Histological analysis confirmed increased re-epithelialization and collagen deposition, key histopathological markers of tissue regeneration, drive improved repair mechanisms and ultimately promote wound healing. These results reinforce the potential of the APFE as a customizable, scalable solution for diabetic wound care.</div></div>","PeriodicalId":101187,"journal":{"name":"Supramolecular Materials","volume":"4 ","pages":"Article 100110"},"PeriodicalIF":0.0,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144632312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Tyrosinase inhibitors as melanoma sensitizers: Boosting therapeutic efficacy","authors":"Yongsheng Li , Kan Yang , Luyang Zhao","doi":"10.1016/j.supmat.2025.100109","DOIUrl":"10.1016/j.supmat.2025.100109","url":null,"abstract":"<div><div>Melanoma therapy faces critical challenges due to melanin-mediated resistance mechanisms. The use of tyrosinase inhibitors to suppress tyrosinase activity and reduce melanogenesis, thereby sensitizing melanoma cells, represents a highly promising strategy for adjuvant melanoma therapy. However, most current review articles on tyrosinase inhibitors are primarily focused on discussing molecular inhibitor design and their depigmentation effects, while comprehensive reviews addressing their melanoma-sensitizing potential remain scarce. In this review, we systematically summarized recent development of tyrosinase inhibitor-mediated melanoma therapeutic treatment. Firstly we introduced the inhibiting mechanism of tyrosinase inhibitors and their development with various chemical structures and supramolecular assembly strategy. Then the tyrosinase inhibitor sensitization to irradiation/photodynamic therapy, chemotherapy, and immunotherapy was reviewed in detail, respectively, where the unique role of tyrosinase inhibitor in these therapeutic schemes are highlighted. Finally, we discuss potential optimization strategies for employing tyrosinase inhibitors in melanoma sensitization. This review timely addresses the critical gap in literature regarding tyrosinase inhibitor-mediated melanoma sensitization. It not only provides perspectives for clinical melanoma treatment but also facilitates the expansion of tyrosinase inhibitors' biomedical applications, thereby advancing the development of next-generation tyrosinase-targeted therapeutics.</div></div>","PeriodicalId":101187,"journal":{"name":"Supramolecular Materials","volume":"4 ","pages":"Article 100109"},"PeriodicalIF":0.0,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144587673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Huacheng He , Yijing Tang , Manhui Zheng , Yung Chang , Hong Chen , Jialun Wei , Jiang Wu , Jie Zheng
{"title":"Zwitterionic hydrogels from material design to wound dressing applications","authors":"Huacheng He , Yijing Tang , Manhui Zheng , Yung Chang , Hong Chen , Jialun Wei , Jiang Wu , Jie Zheng","doi":"10.1016/j.supmat.2025.100108","DOIUrl":"10.1016/j.supmat.2025.100108","url":null,"abstract":"<div><div>Zwitterionic hydrogels, synthesized from zwitterions such as sulfobetaine, carboxybetaine, and phosphorylcholine, feature a balanced mix of positive and negative charges within the same polymer chains. They exhibit excellent antifouling properties, superior hydration, distinctive anti-polyelectrolyte behavior, tunable mechanical strength, and low immunogenicity, all of which create an environment that mimics the extracellular matrix, facilitating faster wound healing. This review examines the development and applications of zwitterionic hydrogels in wound care, highlighting their potential to enhance healing processes and reduce complications in both acute and chronic wounds. Zwitterionic hydrogels are presented with distinct functionalities such as antibacterial activity, hemostatic properties, anti-inflammatory and antioxidant effects, and adaptability to the wound environment, all contributing to improved wound healing from various perspectives. Additionally, innovative approaches enhance zwitterionic hydrogels in wound care by integrating them with various bioactive compounds, photothermal therapy, and smart materials. These enhancements enable the effective delivery of therapeutic agents directly to the wound site and facilitate responsiveness to specific wound cues, providing a comprehensive multimodal therapeutic strategy. Further, the potential challenges and future perspectives in the field are addressed, including the need for advanced material design/synthesis and the integration of machine learning to optimize hydrogel design. By exploring both current applications and forward-looking innovations, this review underscores the significance of zwitterionic hydrogels and the vast potential for their future development in revolutionizing wound care, promising not only enhanced clinical outcomes but also broad applicative potentials in medicine.</div></div>","PeriodicalId":101187,"journal":{"name":"Supramolecular Materials","volume":"4 ","pages":"Article 100108"},"PeriodicalIF":0.0,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312934","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Chunhong Liu , Leyong Wang , Zhouyu Wang , Wanhua Wu , Cheng Yang
{"title":"Recent advances in chirality sensing/recognition using supramolecular macrocycles","authors":"Chunhong Liu , Leyong Wang , Zhouyu Wang , Wanhua Wu , Cheng Yang","doi":"10.1016/j.supmat.2025.100107","DOIUrl":"10.1016/j.supmat.2025.100107","url":null,"abstract":"<div><div>Chiral sensing is crucial for understanding and controlling the biological activity of chiral molecule such as carbohydrates, amino acids, and proteins. It also plays a vital role in asymmetric synthesis, drug development, and the advancement of functional materials. Supramolecular macrocycle-based chiral sensors offer unique advantages over traditional small-molecule chiral sensors. This review highlights recent advancements in chiral sensing using supramolecular macrocycles, categorizing them into two primary groups: achiral and chiral macrocycles, based on their configurational features. Furthermore, it systematically outlines the synthetic strategies for these macrocycles, emphasizing their applications in chiral recognition and sensing.</div></div>","PeriodicalId":101187,"journal":{"name":"Supramolecular Materials","volume":"4 ","pages":"Article 100107"},"PeriodicalIF":0.0,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143950382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Depeng Liu , Jiaying Zhou , Longqiang Li , Min Qi , Wuzhen Luo , Guangqiang Yin , Tao Chen
{"title":"Supramolecular coordination modulating organic room temperature phosphorescence for multi-level information encryption","authors":"Depeng Liu , Jiaying Zhou , Longqiang Li , Min Qi , Wuzhen Luo , Guangqiang Yin , Tao Chen","doi":"10.1016/j.supmat.2025.100105","DOIUrl":"10.1016/j.supmat.2025.100105","url":null,"abstract":"<div><div>Organic room temperature phosphorescent (RTP) materials have emerged as a prominent research area due to their unique luminescent properties and wide applications. However, it remains a great challenge to realize a distinct RTP modulation by one stimulus, although it is highly desirable for developing high-level information encryption. Herein, we fabricate two distinct RTP films by incorporating terpyridine (Tpy) derivatives with a carboxylic or amine group into polyvinyl alcohol (PVA), exhibiting entirely different optical responses upon the introduction of dynamic lanthanide (Ln) coordination. The RTP film fabricated by carboxylic group-functionalized Tpy derivative shows significant changes in fluorescence and RTP emissions upon the addition of Ln<sup>3+</sup> due to efficient triplet-to-singlet Förster resonance energy transfer (TS-FRET). On the contrary, the RTP film prepared by amine group-functionalized Tpy derivative demonstrates almost unchanged optical properties after introducing Ln<sup>3+</sup>. Encouraged by such a distinct Ln<sup>3+</sup> modulation, multi-level information encryption is well demonstrated with a largely improved security level. This study not only contributes to the development of modulable RTP materials but also promotes the advancement of high-level information encryption.</div></div>","PeriodicalId":101187,"journal":{"name":"Supramolecular Materials","volume":"4 ","pages":"Article 100105"},"PeriodicalIF":0.0,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143923614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Supramolecular organization and optical properties of nanoscale and microscale films of an anisometric europium(III) complex","authors":"A.A. Knyazev , R.M. Ziyatdinova , A.S. Krupin , A.T. Gubaidullin , Yu.G. Galyametdinov","doi":"10.1016/j.supmat.2025.100106","DOIUrl":"10.1016/j.supmat.2025.100106","url":null,"abstract":"<div><div>An anisometric Eu(III) complex was used to produce nanoscale and microscale films by three different methods. These films demonstrated considerable differences in their supramolecular organization and optical properties. The impact of the fabrication method and supramolecular organization on optical properties of the films was studied. The nanoscale films deposited from solutions were found to have excitation spectra identical to those of diluted solutions with the maximum at 330 nm. The microscale films fabricated by vitrification from their melts or solvent evaporation from solutions were found to contain J-aggregates. Their spectra were comparable to those of concentrated solutions with the maximums at about 400 nm. For the first time, we report growing a monocrystal of a lanthanide’s mesogenic complex and its characterization by X-ray crystallography. The type of intermolecular interactions was identified and the size and shape of the aggregates were characterized. Formation of J-aggregates in microscale vitrified films was shown to be the key factor that provided these materials with the properties of excitation not only by UV light but also by inexpensive visible light sources with wavelengths corresponding to the absorption range of 390–425 nm.</div></div>","PeriodicalId":101187,"journal":{"name":"Supramolecular Materials","volume":"4 ","pages":"Article 100106"},"PeriodicalIF":0.0,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144107761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Vladislav N. Mironyuk , Oday A. Hassoon , Antonina I. Smirnova , Tatiana Ya. Karatyshova , Ammar J.K. Al-Alwani , Nadezhda V. Usol’tseva , Evgeny G. Glukhovskoy
{"title":"Protonation and aggregation of the A3B-type porphyrin in floating layers and thin films","authors":"Vladislav N. Mironyuk , Oday A. Hassoon , Antonina I. Smirnova , Tatiana Ya. Karatyshova , Ammar J.K. Al-Alwani , Nadezhda V. Usol’tseva , Evgeny G. Glukhovskoy","doi":"10.1016/j.supmat.2025.100104","DOIUrl":"10.1016/j.supmat.2025.100104","url":null,"abstract":"<div><div>The formation features and spectral properties of Langmuir floating layers of 5-(4-hydroxyphenyl)-10,15,20-tris(4-hexadecyloxyphenyl) porphyrin on an aqueous subphase with different content of orthophosphoric acid (H<sub>3</sub>PO<sub>4</sub>) have been studied. The acid concentrations were 0, 10<sup>–3</sup>, 10<sup>–2</sup>, 10<sup>–1</sup>, 1 M, which corresponded to subphase pH values of 5.3, 3.1, 2.3, 1.6, 1.1, respectively. At low acid concentrations (<em>C</em><sub>H</sub><sub>3</sub><sub>PO4</sub> = 0 M and 10<sup>–3</sup> M), only one condensed phase with <em>edge-on</em> orientation of porphyrin molecules as formed. At high concentrations (<em>C</em><sub>H<sub>3</sub>PO<sub>4</sub></sub> = 10<sup>–1</sup> M and 1 M), two phases with <em>face-on</em> and <em>edge-on</em> molecular orientations were detected. The protonation of porphyrin at high acid concentrations (<em>C</em><sub>H<sub>3</sub>PO<sub>4</sub></sub> = 10<sup>–1</sup>, 1 М) proceeds more efficiently, which is confirmed by high-intensity absorption peaks in the range of 683–700 nm and the presence of the shoulder of Soret band at 465 nm. The protonation leads to a stronger interaction of porphyrin macrocycle with the subphase, maintaining the <em>face-on</em> orientation not only in the gas phase, but also partially in the condensed phase. Spectral characteristics of thin films transferred onto solid substrates by the Langmuir-Schaefer method retain the features inherent to the previous floating layers. The signs of porphyrin protonation decrease at strong compression of floating layers, when they are in the condensed phase, or when LS-films undergo heat treatment at a temperature of 110 °C. Obtaining the protonated forms of porphyrins as an electron acceptor is a step towards the creation of donor-acceptor systems, effective in the development of photovoltaic devices based on organic macroheterocyclic compounds.</div></div>","PeriodicalId":101187,"journal":{"name":"Supramolecular Materials","volume":"4 ","pages":"Article 100104"},"PeriodicalIF":0.0,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144563046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Fundamental and Application of Co-assembly of Peptides and Proteins: Experiment and Computation","authors":"Newton A. Ihoeghian, Qing Shao","doi":"10.1016/j.supmat.2025.100103","DOIUrl":"10.1016/j.supmat.2025.100103","url":null,"abstract":"<div><div>Peptides and proteins can co-assemble into various nanostructures based on complementary non-covalent interactions such as electrostatic forces, hydrogen bonding, and hydrophobic associations. These co-assemblies create a design space of functional materials for a wide spectrum of energy, environmental, and biomedical applications. This review focuses on the fundamentals and applications of three co-assembling systems: ultra-short peptides, peptides, and proteins. We will present and discuss experimental studies demonstrating applications in drug delivery, tissue engineering, and biomaterials development. We will also discuss the contribution of computational research, including molecular dynamics simulations and machine learning, to enhance our understanding of assembly mechanisms. Integrating experimental and computational methods would provide crucial insights for understanding and designing robust functional co-assemblies with precisely controlled compositions and properties. These advances would support the development of sophisticated biomaterials for applications ranging from targeted therapeutics to regenerative medicine.</div></div>","PeriodicalId":101187,"journal":{"name":"Supramolecular Materials","volume":"4 ","pages":"Article 100103"},"PeriodicalIF":0.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143823746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}