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Molecules, Volume 30, Issue 20

2025 October-2 - 116 articles

Cover Story: Silver(I) coordination compounds are promising antibacterial agents, but their efficacy is often limited by poor solubility and bioavailability, both of which are strongly influenced by ligand choice. In this work, a group of six new Ag(I) complexes featuring a quinazolinone thioamide and different phosphine co-ligands were synthesized and evaluated for their antibacterial properties, revealing selective growth inhibition of S. aureus. To enhance their effectiveness, Ag(I) complexes were encapsulated into alginate-based hydrogels, which enabled antibacterial activity at significantly lower concentrations. Mechanistic studies suggest a redox-mediated bioactivity via reductase inhibition and subsequent disruption of bacterial redox homeostasis. View this paper
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Articles (116)

  • Article
  • Open Access
1,065 Views
15 Pages

21 October 2025

An efficient method for the simultaneous extraction of cannabinoids and terpenes from the leaves and flowers of Cannabis sativa L. (var. Felina 32) was developed. Extraction parameters, including solvent type, temperature, and pressure, were optimize...

  • Article
  • Open Access
1,415 Views
22 Pages

Bioactivity and Compound Identification in Extracts from Three Australian Populations of Portulaca oleracea: Full NMR Structural Characterisation of Oleracein Australis 1

  • Colette Geier,
  • Rachael Micklewright,
  • Russell Barrow,
  • Joanne F. Jamie,
  • Paul D. Prenzler,
  • Danielle Ryan and
  • Lachlan Schwarz

21 October 2025

Three Australian populations of Portulaca oleracea—Common Purslane, Omega Gold and Omega Red—were grown under identical conditions, separated into portions—leaf, bud, stem and root—and their extracts tested for total phenolic...

  • Article
  • Open Access
2 Citations
1,155 Views
15 Pages

21 October 2025

In the search for new materials to open up creative pathways for industry and research, modification is one of the best methods to implement. Developing materials with high sensitivity and selectivity for specific applications, such as ion sensing, r...

  • Article
  • Open Access
664 Views
17 Pages

21 October 2025

Considering the relevance of hydrogen bonds and other intermolecular interactions in regulating the activity of the tyrosine kinase class of enzymes, an in-depth electronic structure study of these forces in the context of the BCR-ABL protein was per...

  • Article
  • Open Access
1,778 Views
29 Pages

Uranyl(VI) Interaction with 2-Phosphonobutane-1,2,4-Tricarboxylic Acid (PBTC): A Spectroscopic and Computational Study over a Wide pH Range

  • Jerome Kretzschmar,
  • Anne Wollenberg,
  • Ion Chiorescu,
  • Sven Krüger,
  • Ronja Kraft,
  • Michael U. Kumke,
  • Satoru Tsushima,
  • Katja Schmeide and
  • Margret Acker

21 October 2025

Organophosphonates have manifold applications in the chemical industry, of which one of the most commonly used is 2-phosphonobutane-1,2,4-tricarboxylic acid (PBTC). It is widely used as a cement additive and may pose a potential risk of complexing ra...

  • Review
  • Open Access
2 Citations
2,531 Views
32 Pages

21 October 2025

Owing to the inherent safety, environmental friendliness, and high theoretical capacity (820 mAh g−1) of zinc metal, aqueous zinc-ion batteries (AZIBs) have emerged as up-and-coming alternatives to organic lithium-ion batteries. However, the in...

  • Article
  • Open Access
596 Views
13 Pages

21 October 2025

This study investigates, for the first time, the relationship between carbon (δ13C) and nitrogen stable isotopic composition of Aspergillus niger mycelium, used as chitin and chitosan sources, and the fungus diet under controlled cultivation co...

  • Article
  • Open Access
552 Views
20 Pages

21 October 2025

The rapid development of the silicon industry has led to the massive production of silica fume (SF), while its improper disposal poses environmental risks and represents a waste of resources. Unlike conventional methods that require dissolution and h...

  • Article
  • Open Access
1,695 Views
38 Pages

Characterization of Essential Oils and Ethanolic Extracts from Nine Pepper Species: Antioxidant and Antimicrobial Activity and Spectroscopic Analysis

  • Aleksandra Sander,
  • Maja Bival Štefan,
  • Tea Sander,
  • Dajana Kučić Grgić,
  • Jelena Parlov Vuković,
  • Iva Blažević and
  • Jasna Jablan

20 October 2025

This study examined the characteristics of essential oils and ethanolic extracts from nine pepper species’ fruits to determine their chemical compositions and assess their biological activity. Ethanolic extracts and essential oils were analyzed...

  • Article
  • Open Access
778 Views
28 Pages

TiO2 and CaCO3 Microparticles Produced in Aqueous Extracts from Satureja montana: Synthesis, Characterization, and Preliminary Antimicrobial Test

  • Federica Valentini,
  • Irene Angela Colasanti,
  • Camilla Zaratti,
  • Dumitrita Filimon,
  • Andrea Macchia,
  • Anna Neri,
  • Michela Relucenti,
  • Massimo Reverberi,
  • Ivo Allegrini and
  • Antonella Canini
  • + 9 authors

20 October 2025

The possibility of modifying the surface chemistry of materials and synthetizing inorganic particles in natural aqueous extracts of plants (avoiding calcination), opens the doors to undoubtedly interesting scenarios for innovative functionalization s...

  • Article
  • Open Access
1 Citations
640 Views
19 Pages

Investigation of N-(2-oxo-2H-chromen-3-carbonyl)cytisine’s Molecular Structure in Solution

  • Kymbat Kopbalina,
  • Aigerim Adekenova,
  • Zhanar Shaimerdenova,
  • Zhanargul Kairatova,
  • Kuanysh Shakarimova,
  • Dmitrii Pankin,
  • Mikhail Smirnov,
  • Anarkul Kishkentayeva,
  • Makpal Artykbayeva and
  • Roza Jalmakhanbetova

20 October 2025

Cytisine and coumarin derivatives are promising for the creation of new drugs with antiarrhythmic, antiepileptic, antidiabetic, anti-inflammatory, and antimicrobial effects. In this study, the molecular structure of the cytisine and coumarin derivati...

  • Review
  • Open Access
1 Citations
929 Views
19 Pages

20 October 2025

Malaria is one of the diseases that is a serious threat to global health, with millions of cases reported worldwide in recent years. The treatment of malaria is still a challenge due to its complex pathogenesis, resistance to many of the antimalarial...

  • Article
  • Open Access
1 Citations
1,103 Views
21 Pages

20 October 2025

This paper reviews methods for partitioning the molecular polarizability into atomic terms. The advantages and disadvantages of hard space or fuzzy partitioning are critically assessed and compared. Polarizability density is proposed as a key functio...

  • Article
  • Open Access
2 Citations
985 Views
22 Pages

Tuning of Photocatalytic and Piezophotocatalytic Activity of Bi3TiNbO9 via Synthesis-Controlled Surface Defect Engineering

  • Farid F. Orudzhev,
  • Asiyat G. Magomedova,
  • Sergei A. Kurnosenko,
  • Vladislav E. Beklemyshev,
  • Wei Li,
  • Chuanyi Wang and
  • Irina A. Zvereva

20 October 2025

In this work, we investigate advanced photocatalyst Bi3TiNbO9 as promising piezophotocatalyst in terms of the effect of synthesis methods on the surface chemistry, structure, and catalytic performance in process of contaminant removal. Samples were p...

  • Article
  • Open Access
717 Views
15 Pages

Impact of Mg Doping on Structural, Morphological and Thermoelectric Properties of SnO2 Nanoparticles: A Combined Experimental-Theoretical Investigation

  • Muhammad Isram,
  • Matteo Barduzzi,
  • Valeria Demontis,
  • Daniele Goldoni,
  • Pino D’Amico,
  • Luigi Rovati,
  • Alberto Vomiero,
  • Alice Ruini and
  • Francesco Rossella

20 October 2025

Recent advances in nanotechnology, including the development of nanoparticles, thin films, and superlattices, have revitalized research in thermoelectricity by enabling independent control of thermal and electrical transport, overcoming longstanding...

  • Feature Paper
  • Article
  • Open Access
994 Views
20 Pages

Targeting Melanogenesis with Postbiotics: An Integrated Zebrafish-Based Assessment of Lactobacillus salivarius BGHO-1 and Lactobacillus paracasei BGSJ2-8

  • Gabor Katona,
  • Natasa Jovanovic Ljeskovic,
  • Ivana Strahinic,
  • Nemanja Stanisavljevic,
  • Sladjana Vojvodic,
  • Jelena Djuris and
  • Aleksandar Pavic

20 October 2025

Skin hyperpigmentation disorders represent a major dermatological challenge, and safe alternatives to conventional depigmenting agents remain scarce. Probiotics and their postbiotic derivatives have emerged as promising natural candidates; however, o...

  • Article
  • Open Access
3 Citations
666 Views
14 Pages

Kaempferol and Kaempferin Alleviate MRSA Virulence by Suppressing β-Lactamase and Inflammation

  • Junlu Liu,
  • Jingyao Wen,
  • Jiahui Lu,
  • Hanbing Zhou and
  • Guizhen Wang

20 October 2025

Methicillin-resistant S. aureus (MRSA) possesses broad resistance, biofilm formation, and high virulence characteristics. Therefore, developing new therapeutic strategies against this pathogen is urgent. This work reports kaempferol (kol) and kaempfe...

  • Article
  • Open Access
1,042 Views
18 Pages

Machine Learning-Assisted DFT Screening of Nitrogen-Doped Graphene Diatomic Catalysts for Nitrogen Reduction Reaction

  • Xiulin Wang,
  • Suofu Nie,
  • Huichao Yao,
  • Sida Wu,
  • Yanze Li,
  • Junli Feng,
  • Yiyan Sui,
  • Yuqing Zhang,
  • Xinwei Wang and
  • Xiuxia Zhang

20 October 2025

This research seeks to investigate extremely efficient catalysts for the nitrogen reduction process (NRR), utilizing machine learning (ML)-aided density functional theory (DFT) computations. Specifically, we investigate dual transition metal atoms an...

  • Review
  • Open Access
3,400 Views
37 Pages

The Role of Probiotics and Their Postbiotic Metabolites in Post-COVID-19 Syndrome

  • Monika E. Jach,
  • Ewa Sajnaga,
  • Marharyta Bumbul,
  • Anna Serefko,
  • Kinga K. Borowicz,
  • Hieronim Golczyk,
  • Marek Kieliszek and
  • Adrian Wiater

20 October 2025

Post-COVID-19 syndrome, also known as long-COVID, is characterized by a wide spectrum of persistent symptoms involving multiple body organs and systems, including fatigue, gastrointestinal disorders, and neurocognitive dysfunction. Emerging evidence...

  • Article
  • Open Access
993 Views
18 Pages

19 October 2025

Recently, macrocycles such as 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) have been observed to form zirconium-89 (89Zr: t½ = 78.4 h, β+: 22.8%, Eβ+max = 901 keV; EC: 77%, Eγ = 909 keV)-complexes with excell...

  • Article
  • Open Access
799 Views
15 Pages

19 October 2025

Coplanar tridentate nitrogen-donor ligands have been extensively employed to stabilize transition metal complexes by chelation. Some complexes exhibit interesting structures and photoluminescent properties. In this work, 2,6-bis(5-isopropyl-1H-pyrazo...

  • Article
  • Open Access
1 Citations
862 Views
19 Pages

Loop-Structured PEG-Lipoconjugate Enhances siRNA Delivery Mediated by Liner-PEG Containing Liposomes

  • Daniil V. Gladkikh,
  • Elena V. Shmendel,
  • Darya M. Makarova,
  • Mikhail A. Maslov,
  • Marina A. Zenkova and
  • Elena L. Chernolovskaya

19 October 2025

Therapeutics involving small interfering RNA (siRNA) have enormous potential for treating a number of diseases, but their effective delivery to target cells remains a major challenge. We studied the influence of the structure and combination of targe...

  • Article
  • Open Access
2,516 Views
14 Pages

Influence of Arabic Gum/Gelatin/Ascorbyl Palmitate Coating on Quality Parameters of Hazelnut Kernels Stored in Plastic Boxes

  • Dariusz Kowalczyk,
  • Katarzyna Niedźwiadek,
  • Tomasz Skrzypek,
  • Emil Zięba and
  • Jaromir Jarecki

19 October 2025

Edible coatings enriched with antioxidants offer a promising approach to prolong the shelf life of oxidation-sensitive foods such as nuts. Nonetheless, not all formulations provide the expected protection, and understanding why is equally important....

  • Review
  • Open Access
3 Citations
4,686 Views
32 Pages

18 October 2025

Sodium-glucose cotransporter-2 (SGLT2) inhibitors, also known as gliflozins, are a class of antidiabetic agents that act independently of insulin by promoting renal glucose excretion. They modulate glucose reabsorption in proximal renal tubules. Init...

  • Article
  • Open Access
656 Views
16 Pages

17 October 2025

Building energy conservation through the development of transparent thermal insulation materials that selectively block near-infrared radiation while maintaining visible light transmittance has emerged as a key strategy for global carbon neutrality....

  • Article
  • Open Access
1 Citations
967 Views
21 Pages

Microwave-Assisted Preparation of Coffee-Based Activated Carbons: Characteristics, Properties, and Potential Application as Adsorbents for Water Purification

  • Przemysław Pączkowski,
  • Viktoriia Kyshkarova,
  • Viktor Nikolenko,
  • Oksana Arkhipenko,
  • Inna Melnyk and
  • Barbara Gawdzik

17 October 2025

Activated carbons were synthesized from coffee grounds using phosphoric acid as a chemical activator and microwave-assisted carbonization as a rapid and energy-efficient method. Then the prepared carbons were surface-treated with cold plasma to impro...

  • Article
  • Open Access
888 Views
16 Pages

Almond Shell-Derived Biochar for Lead Adsorption: Comparative Study of Pyrolysis Techniques and Sorption Capacities

  • Eva Pertile,
  • Tomáš Dvorský,
  • Vojtěch Václavík,
  • Lucie Berkyová and
  • Petr Balvín

17 October 2025

Lead (Pb(II)) contamination in water poses severe environmental and health risks due to its toxicity and persistence. This study compares almond shell-derived biochars produced by slow pyrolysis (SP) and microwave pyrolysis (MW), with and without KOH...

  • Review
  • Open Access
1 Citations
1,418 Views
31 Pages

17 October 2025

Room-temperature phosphorescence (RTP) materials with photo-responsive properties have attracted increasing attention for applications in smart luminescent switches, optical logic control, and multidimensional information storage. Compared to other e...

  • Article
  • Open Access
741 Views
21 Pages

17 October 2025

This article focuses on the utilization of the supramolecular self-assembly of renewable materials derivatives to obtain functional compounds. Novel bio-based amphiphile molecules (CALAH and PALAH) were synthesized through a tailored process, involvi...

  • Article
  • Open Access
538 Views
18 Pages

17 October 2025

The antimalarial combination of sulfadoxine–pyrimethamine is used as a preventive treatment in pregnant women and children in Africa. Sulfadoxine inhibits the Plasmodium falciparum dihydropteroate synthase (PfDHPS), but resistance has emerged t...

  • Article
  • Open Access
1,151 Views
25 Pages

Bentonite-Clarified White Wine: Linking Clay Physico-Chemical Properties to Protein Removal Efficiency and Wine Matrix Alterations

  • Igor Lukić,
  • Ivana Horvat,
  • Doris Delač Salopek,
  • Tajana Begović,
  • Igor Djerdj,
  • Stjepan Šarić,
  • Vedrana Špada,
  • Josipa Bilić,
  • Igor Palčić and
  • Smiljana Goreta Ban
  • + 1 author

17 October 2025

Bentonites used for wine clarification vary widely in their ability to remove proteins and alter wine composition, yet the role of their intrinsic properties remains unclear. To address this, eight commercial bentonites with diverse physico-chemical...

  • Article
  • Open Access
778 Views
18 Pages

17 October 2025

Alzheimer’s disease (AD) has been studied extensively and is characterized by plaques deposited throughout the brain. Plaques are made of beta-amyloid (Aβ) peptides which have undergone fibrillogenesis to form insoluble Aβ fibrils (fAβ) that are neur...

  • Article
  • Open Access
725 Views
20 Pages

Stereoisomeric Effects of Diammoniumcyclohexane Counterions on the Self-Assembly of Amino Acid-Based Surfactants

  • Saylor E. Blanco,
  • Nathan Black,
  • Margarita A. Alvarez,
  • Kevin F. Morris,
  • Mark A. Olson,
  • Eugene J. Billiot and
  • Fereshteh H. Billiot

16 October 2025

The impact of counterion structure, especially variations in constitutional and stereochemical isomers, on the properties and performance of AABSs remains under-explored. This study investigates how structural variations, particularly the stereochemi...

  • Article
  • Open Access
786 Views
15 Pages

Stability and Ultrafast Dynamics of Luminescent Biquinoxen-BisH-Adducts

  • Jonas Braun,
  • Julia Leier,
  • Mikhail Khorenko,
  • Nicolas Leblanc,
  • Christopher E. Anson,
  • Wim Klopper,
  • Claus Feldmann,
  • Claudia Bizzarri,
  • Andreas-Neil Unterreiner and
  • Annie K. Powell

16 October 2025

We report the synthesis of two new biquinoxen-σH-adducts (3,3′-diisopropoxy-4,4′-dimethyl-3,3′,4,4′-tetrahydro-2,2′-biquinoxaline (Mbqn-(OiPr)2) (1) and 3,3′-bis(isopropylthio)-4,4′-dimethyl-3,3′,4,4′-tetrahydro-2,2′-biquinoxaline (Mbqn-(SiPr)2) (2))...

  • Article
  • Open Access
1 Citations
678 Views
38 Pages

16 October 2025

The isomerization of geraniol using natural, acid-modified minerals such as vermiculite presents a promising approach aligned with the principles of green chemistry. Vermiculite, a naturally abundant layered silicate mineral, was subjected to the aci...

  • Article
  • Open Access
1 Citations
1,000 Views
15 Pages

Mitochondrial Proteins as Exosomal Cargo: New Breast Cancer Biomarkers & Crucial Players in Carcinogenesis?

  • Aleksei Shefer,
  • Lyudmila Yanshole,
  • Alina Grygor’eva,
  • Natalia Yunusova,
  • Irina Kondakova,
  • Liudmila Spirina,
  • Andrey Shevela,
  • Alyona Chernyshova,
  • Alexander Romanov and
  • Svetlana Tamkovich

16 October 2025

Mitochondrial proteins (mtPs) packaged into extracellular vesicles (EVs), particularly exosomes, have emerged as promising biomarkers and functional mediators in cancer biology. In this study, we investigated whether breast cancer (BC)-derived exosom...

  • Article
  • Open Access
1 Citations
1,304 Views
13 Pages

16 October 2025

Obesity is characterized by chronic low-grade inflammation, largely driven by macrophage infiltration into adipose tissue, which contributes to the development of insulin resistance. All-trans retinoic acid (ATRA), a biologically active metabolite of...

  • Article
  • Open Access
800 Views
15 Pages

16 October 2025

Vanillin is the compound widely used in the food industry as a flavoring agent. Currently, chemically synthesized vanillin provides the majority of the world’s supply. Due to the increase in consumer awareness, there is a change in preferences...

  • Article
  • Open Access
551 Views
18 Pages

Antioxidant Action of Dinitrosyl Iron Complexes in Model Systems Containing Cytochrome c and Organic Hydroperoxides

  • Olga V. Kosmachevskaya,
  • Elvira I. Nasybullina,
  • Konstantin B. Shumaev and
  • Alexey F. Topunov

16 October 2025

The antioxidant/prooxidant effects of dinitrosyl iron complexes (DNICs), physiological donors of nitric oxide (NO), are studied in reaction systems modeling processes with cytochrome c occurring in mitochondria under oxidative stress and leadin...

  • Review
  • Open Access
1,033 Views
45 Pages

Molecular Diversity of Lupane Hybrids in Drug Design and Materials Science

  • Victoria V. Lipson,
  • Maria G. Shirobokova,
  • Mustafa Kemal Gümüş,
  • Arda Ozturkcan and
  • Valentyn A. Chebanov

16 October 2025

The need for new, more effective drugs to treat cancer, infectious diseases, various parasitic infestations, and metabolic disorders requires innovative approaches to the design of promising molecules. One of these areas is the creation of hybrid str...

  • Review
  • Open Access
1,748 Views
31 Pages

Methodological Insights into the Occurrence, Conversion, and Control of Polychlorinated Dibenzo-p-Dioxins/Dibenzofurans from Waste Incineration

  • Ruoru Xu,
  • Xuetong Qu,
  • Yunfei He,
  • Feifei Chen,
  • Yuchi Zhong,
  • Hangjun Zhang,
  • Jiafeng Ding and
  • Jibo Dou

16 October 2025

With the acceleration of global urbanization, polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs), as a by-product of solid waste incineration, have attracted more and more attention for their environmental pollution and health hazards. By desc...

  • Article
  • Open Access
1,911 Views
18 Pages

16 October 2025

Nitrosamines (NAs) pose a risk due to their carcinogenic properties, especially in processed and cured meats where nitrites and nitrates are widely used. The objective of this study was to develop an integrated Ultra-High-Performance Liquid Chromatog...

  • Article
  • Open Access
949 Views
17 Pages

16 October 2025

The substantial ring strain and activated double bonds render methylenecyclopropanes (MCPs) potential substrates for Diels–Alder (DA) reactions. In this work, we present a thermally induced intramolecular Diels–Alder (IMDA) reaction utili...

  • Article
  • Open Access
753 Views
15 Pages

Metabolomic Analysis of Fermented Nori Powders: Divergence of Betaine Structural Analogs Production by Three Types of koji Fungal Fermentation

  • Nao Inoue,
  • Konoka Kubo,
  • Keisuke Tsuge,
  • Ryosuke Sasaki,
  • Akira Oikawa,
  • Masatoshi Goto,
  • Teruyoshi Yanagita and
  • Koji Nagao

16 October 2025

Fermenting seaweed with koji fungi transforms its chemical composition, generating bioactive compounds absent in the raw material. We previously reported that the fungal fermentation of the edible red alga Pyropia yezoensis (Nori) produces betaine st...

  • Article
  • Open Access
2,480 Views
16 Pages

15 October 2025

Cold-ripened fish marinades, produced mainly from Atlantic herring, represent one of the major seafood products in Northern and Central Europe. Because the shelf-life of these mildly acidified, salty products rarely surpasses 4 weeks, more than half...

  • Review
  • Open Access
1,483 Views
23 Pages

The Perspectives of Combining Antibiotics with Saponins—Herbal Excipients

  • Aleksandra Makiej,
  • Wojciech Smułek and
  • Ewa Kaczorek

15 October 2025

The overuse of antibiotics in human and veterinary medicine has contributed significantly to their persistent presence in the environment, creating conditions that promote the spread of antimicrobial resistance (AMR). In this context, innovative appr...

  • Article
  • Open Access
768 Views
18 Pages

Abrupt Transition of Nanothermite Reactivity: The Roles of Loading Density, Microstructure and Ingredients

  • Chengbo Ru,
  • Yanchun Zhang,
  • Aoyang Yu,
  • Lihong Chen,
  • Hongxing Wang,
  • Hongguo Zhang,
  • Yiming Shan and
  • Yi Jin

15 October 2025

Nanothermites are widely applied as specific power sources for microscale initiators and pyrotechnics. Increasing the charge density enhances energy storage within a confined combustion chamber, but it also alters the reaction kinetics. To systemical...

  • Review
  • Open Access
742 Views
19 Pages

15 October 2025

This review highlights enantioselective strategies for preparing (N,O)- (N,N)- and (N,S)-spiroketal skeleton, which are key structural units found in many natural products and pharmacologically active substances. The strategies are mainly based on me...

  • Review
  • Open Access
2 Citations
1,475 Views
21 Pages

15 October 2025

Supercritical CO2 (sCO2) pipeline transport is a critical link for the large-scale implementation of Carbon Capture, Utilization, and Storage (CCUS) technology, yet its safety is severely challenged by residual impurity gases (e.g., H2O, O2, SO2, H2S...

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Molecules - ISSN 1420-3049