Article
Nanoscience & Nanotechnology
Hua Wang, Yuchong Yang, Bin Yuan, Xin-Long Ni, Jiang-Fei Xu, Xi Zhang
Summary: The study successfully utilized cucurbit[10]uril to encapsulate cationic porphyrin, enhancing its fluorescence intensity and photostability, showing promising results in cell imaging, and providing a new approach for designing supramolecular porphyrin dyes.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
Valya Nikolova, Anita Velinova, Stefan Dobrev, Nikoleta Kircheva, Silvia Angelova, Todor Dudev
Summary: The interactions between neutral/protonated mitoxantrone and cucurbit[n]uril (n = 7, 8) host systems were analyzed using density functional theory calculations. It was found that stable inclusion complexes can form between doubly and quadruply charged mitoxantrone molecules and CB[7] or CB[8] in a water solvent. Both CB[7] and CB[8] show properties that are useful for drug delivery.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Biochemical Research Methods
Valya Nikolova, Stefan Dobrev, Nikoleta Kircheva, Victoria Yordanova, Todor Dudev, Silvia Angelova
Summary: Cucurbiturils are beneficial excipients in eye drop formulations due to their ability to improve drug solubility, absorption, stability, and reduce irritation. Understanding the interactions between the host-guest molecules (CBs and antimuscarinic drugs) can enhance current treatments and develop new therapies for eye conditions. This study focuses on factors such as guest position, drug ionization, medium dielectric constant, and pore size, providing atomic-level insights into the recognition mechanism between CBs and the drugs.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2023)
Article
Nanoscience & Nanotechnology
Dongsheng Mao, Wenxing Li, Fan Zhang, Shiqi Yang, Albertina N. Isak, Yuchen Song, Yi Guo, Siyu Cao, Runchi Zhang, Chang Feng, Xiaoli Zhu, Genxi Li
Summary: By utilizing the peroxidase-like activity of cucurbiturils, a composite nanozyme was constructed for efficient cascade catalysis and generation of sensitive visible signals, enabling convenient detection of glucose and cholesterol. A sensor array was also developed for simultaneous colorimetric analysis of multiple samples, showing the potential for fabricating next-generation multifunctional materials.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Organic
Sai Shradha Reddy Kommidi, Bradley D. Smith
Summary: This report investigates the complexation of azobenzenedyes with cucurbit[7]uril (CB7). The results show that CB7 encapsulates the protonated form of the azobenzene and stabilizes the dye conjugate acid, leading to an increase in pK(a). Molecular modeling suggests that this complex formation is stabilized by ion-dipole interactions, inclusion of the azobenzene ring within the CB7 cavity, and a hydrogen bond between the azo nitrogen and CB7 carbonyls. CB7 complexation not only enhances the stability and hydrophilicity of azobenzene but also offers potential applications in pigment and prodrug development, as well as creating dye displacement assays.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Zhimin Yang, Richard A. Stein, Maren Pink, Peter Madzelan, Thacien Ngendahimana, Suchada Rajca, Mark A. Wilson, Sandra S. Eaton, Gareth R. Eaton, Hassane S. Mchaourab, Andrzej Rajca
Summary: We report complex formation between the chloroacetamide 2,6-diazaadamantane nitroxide radical (ClA-DZD) and cucurbit[7]uril (CB-7), which significantly immobilizes the radical and allows for reliable measurement of interspin distances. These findings have important implications for supramolecular recognition-enabled long-distance DEER measurements at near physiological temperatures.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Chunyang Li, Anne-Doriane Manick, Yuxi Zhao, Fengbo Liu, Bastien Chatelet, Roselyne Rosas, Didier Siri, Didier Gigmes, Valerie Monnier, Laurence Charles, Julie Broggi, Simin Liu, Alexandre Martinez, Anthony Kermagoret, David Bardelang
Summary: The guest molecule trimethyl-azaphosphatrane (AZAP) forms a 1:1 complex with the macrocycle cucurbit[10]uril (CB[10]) in water. Molecular dynamics calculations reveal that CB[10] adopts an 8-shape and contracts around AZAP, leaving some unoccupied space. This residual space can be used to include co-guest molecules, potentially opening new perspectives in supramolecular chemistry.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Physical
Lubna Alrawashdeh, Bayan F. Kulaib, Khaleel I. Assaf, Musa I. El-Barghouthi, Khaled Bodoor, Osama M. Abuhasan, Ahmad A. Abdoh
Summary: Spectroscopic and computational techniques were used to study the complexation of gabapentin and its lactam form with cucurbit[7]uril in aqueous solution. The results showed that cucurbit[7]uril can form 1:1 complexes with both gabapentin and its lactam form, with a higher preference for the lactam form. The encapsulation of gabapentin within the cavity of cucurbit[7]uril also increased the rate of lactamization, as revealed by NMR spectra.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Khaled Bodoor, Musa I. El-Barghouthi, Dima F. Alhamed, Khaleel I. Assaf, Lubna Alrawashdeh
Summary: In this study, the host-guest complexation between CB[7] and the alpha- and beta-anomers of glucosamine was investigated. The results showed that electrostatic and van der Waals interactions played important roles in the stability of the complexes. Thermodynamic integration revealed the preferred binding of specific anomers and the resulting pK(a) shift of glucosamine.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Wei Zhang, Yang Luo, Jie Zhao, Chao Zhang, Xin-Long Ni, Zhu Tao, Xin Xiao
Summary: In this study, a linear supramolecular polymer with controllable features was constructed based on twisted cucurbit[14]uril and cucurbit[8]uril using an effective self-sorting strategy. By inserting and π-π stacking, the polymerization and depolymerization of the supramolecular polymer were achieved. This strategy provides a new approach for the design of supramolecular polymer materials and the application of twisted cucurbit[14]uril in supramolecular chemistry.
CHINESE CHEMICAL LETTERS
(2022)
Article
Nanoscience & Nanotechnology
Ming Liu, Lixia Chen, Peihui Shan, Chengjie Lian, Zenghui Zhang, Yunqian Zhang, Zhu Tao, Xin Xiao
Summary: A physical impregnation method is introduced to encapsulate pyridine molecules into a nanospace formed by GMs and Q[10]-SOF, maintaining crystal framework and stability. The solid GMs@Q[10]-SOF materials respond to pyridine, making them suitable for solid sensors. The study represents a critical advancement in pyridine detection and adsorption for gas identification and sensing.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Biochemistry & Molecular Biology
Jessica R. Kramer, Zachary S. Clauss, Rolande Meudom, Bo Su, Michael A. VandenBerg, Simranpreet S. Saini, Matthew J. Webber, Danny Hung-Chieh Chou
Summary: Protein aggregation is a challenge for the development of biopharmaceuticals, but this study demonstrates the potential of zwitterionic polypeptides conjugated to a supramolecular macrocycle in inhibiting aggregation of protein therapeutics.
Article
Chemistry, Multidisciplinary
Jian-Hang Hu, Cheng-Hui Wang, Qing-Hong Bai, Li-Xia Chen, An-Ting Zhao, Shang-Wei Yuan, Qing Chen, Pei-Hua Ma, Zhu Tao, Xin Xiao
Summary: In this study, fluorescent carbon quantum dots (CQDs) were synthesized from cucurbit[7]uril and 2,2-bis(hydroxymethyl)propionic acid via a hydrothermal method. The formation of Q[7]-DMPA complex was confirmed by X-ray crystallography. The CQDs exhibited blue fluorescence, photostability, and ionic strength stability, and were successfully utilized for histamine detection.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Yun Lu, Zhichao Yu, Xinan Yang, Jingjing Dai, Peihui Shan, Xianhao Feng, Zhu Tao, Carl Redshaw, Xin Xiao
Summary: The binding interactions between 4-aminopyridine (4-AP) and a series of cucurbit[n]urils (Q[5], Q[6], TMeQ[6], Q[7], Q[8]) were investigated using various techniques. The results showed that only the Q[5]@4-AP complex exhibited exo binding while the other hosts formed different types of complexes. X-ray crystallography provided detailed information on the binding modes of Q[n]s with 4-AP. The study revealed the importance of cavity size in determining the stability of the complexes. Overall, the research provides valuable insights into the binding properties of cucurbit[n]urils with 4-AP. (c) 2023 Published by Elsevier B.V. on behalf of Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences.
CHINESE CHEMICAL LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Huaxing Li, Xianchen Hu, Fengbo Liu, Dongdong Sun, Yong Wu, Simin Liu
Summary: Efficient photodimerization of azaanthracene derivatives is challenging due to low selectivity and slow reaction rate. This study utilized cucurbit[10]uril (CB[10]), with the largest rigid and hydrophobic cavity among CB[n]s, to influence the photodimerization reaction of water-soluble 1-(2-)substituted azaanthracene derivatives. The results showed that CB[10] could promote the photodimerization of these compounds in water, leading to high efficiency and selectivity.
CHINESE CHEMICAL LETTERS
(2022)
Article
Biochemistry & Molecular Biology
Raphael E. F. de Paiva, Wyatt E. Johnson, Anil K. Gorle, Susan J. Berners-Price, Nicholas P. Farrell
Summary: This study investigates the interaction between non-hydrogen-donor ligand-based octahedral cobalt(III) and ruthenium(II) complexes and glycosaminoglycans (GAGs). The results showed that [Co(bpy)3]3+ binds to highly sulfated synthetic pentasaccharide Fondaparinux (FPX) without major disturbances, while [Ru(bpy)3]2+ inhibits the enzymatic cleavage of FPX by heparinase II. This suggests a direct inhibition mechanism of heparinase II by the ruthenium compound, which is unrelated to metalloshielding.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Yomani D. Sarathkumara, Daniel J. Browne, Ashton M. Kelly, David J. Pattinson, Catherine M. Rush, Jeffrey Warner, Carla Proietti, Denise L. Doolan
Summary: This study compared the performance of two widely used whole-blood RNA collection systems, PAXgene and Tempus, in laboratory and suboptimal tropical field conditions. Tempus tubes maintained higher RNA quantity and integrity compared to PAXgene under suboptimal conditions and also showed better stability of mRNA transcripts for reference genes.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemical Research Methods
Adrianne L. L. Jenner, Wayne Kelly, Michael Dallaston, Robyn Araujo, Isobelle Parfitt, Dominic Steinitz, Pantea Pooladvand, Peter S. S. Kim, Samantha J. J. Wade, Kara L. L. Vine
Summary: Pancreatic cancer has a poor prognosis due to limited efficacy of systemic chemotherapy. Sustained-release devices have been proposed as a solution to this problem. A mathematical model was developed to investigate the efficacy of these devices, allowing for better understanding of optimal treatment.
PLOS COMPUTATIONAL BIOLOGY
(2023)
Article
Medicine, Research & Experimental
Ashna A. Kumar, Kara L. Vine, Marie Ranson
Summary: The abnormal proteinase spectrum in the tumor microenvironment plays a crucial role in cancer progression. The overexpression of urokinase plasminogen activator (uPA) and its associated cell-surface receptor (uPAR) in tumors compared to normal tissue is strongly associated with worse clinical and pathological features as well as poorer patient survival in various types of cancer. This is due to the activation of proteolytic processes that lead to invasion, migration, and metastasis through the degradation of the extracellular matrix. Targeting uPA has been regarded as a promising anticancer strategy, but the limited bioavailability of uPA-selective small-molecule inhibitors has hindered their clinical progress. The use of nanodelivery systems offers a potential solution to enhance the pharmacokinetic profile of uPA inhibitors, improve their bioavailability, and enable targeted delivery to tumor tissue, thereby overcoming the challenges associated with conventional uPA inhibitors.
MOLECULAR PHARMACEUTICS
(2023)
Article
Medicine, Research & Experimental
Rocio K. Finol-Urdaneta, Jeffrey R. McArthur, Ashraf Aboelela, Richard S. Bujaroski, Hiwa Majed, Alejandra Rangel, David J. Adams, Marie Ranson, Michael J. Kelso, Benjamin J. Buckley
Summary: Acid-sensing ion channels (ASICs) are transmembrane sensors of extracellular acidosis and potential drug targets. In this study, 6-iodoamiloride was identified as a potent inhibitor of ASIC1 and ASIC3, showing improved inhibitory activity compared to amiloride. This compound can be used to study the effects of ASIC inhibition on cell physiology.
MOLECULAR PHARMACEUTICS
(2023)
Editorial Material
Medicine, Research & Experimental
Orlagh M. Feeney, Christopher J. H. Porter, Kara L. Vine
MOLECULAR PHARMACEUTICS
(2023)
Article
Biochemical Research Methods
Benjamin Genenger, Luke Mcalary, Jay R. Perry, Bruce Ashford, Marie Ranson
Summary: Multi-cellular tumor spheroids (MCTS) are widely used in pre-clinical research, but their complex three-dimensional structure poses challenges for immunofluorescent staining and imaging. This article presents a protocol for staining and automated imaging of whole spheroids using laser-scanning confocal microscopy. The protocol includes steps for cell culture, seeding and transfer of MCTS, and adhesion to Ibidi chamber slides. It also provides details on fixation, immunofluorescent staining with optimized reagent concentrations and incubation times, and confocal imaging facilitated by glycerol-based optical clearing.
Article
Chemistry, Inorganic & Nuclear
Anil K. Gorle, Alpeshkumar K. Malde, Chih-Wei Chang, Premraj Rajaratnam, Mark von Itzstein, Susan J. Berners-Price, Nicholas P. Farrell
Summary: [H-1, N-15] HSQC 2D NMR spectroscopy was used to study the aquation and subsequent coordinate covalent binding of the trinuclear clinical agent triplatin with two disaccharides, GlcNS(6S)-GlcA and GlcNS(6S)-IdoA(2S). The rate constant for sulfate displacement of the aqua ligand is higher than that for carboxylate displacement. Molecular dynamics calculations suggest that extra hydrogen-bonding interactions with the more sulfated disaccharide may prevent or diminish sulfate binding of the triplatin moiety.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Organic
Laode M. R. Al Muqarrabun, Asma S. Atthar, C. Pradeep Kumar, Vijaybabu Mandadapu, Ahmed Abdulrahman, Hasti Iranmanesh, Jonathon E. Beves, Anthony I. Day
Summary: Tetrahydrothiophenocucurbit[5]uril was chemically modified with thioether functionality and further transformed into the acetoxy derivative. In the presence of tetrahydrothiophenocucurbit[6]uril, nanoparticles of Au and Ag formed chains that grew in length over time.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Pathology
Ruta Gupta, Dario Strbenac, Laveniya Satgunaseelan, Veronica Ka-Yan Cheung, Harini Narayanappa, Bruce Ashford, Jenny Mitchell, Amarinder Thind, Carsten E. Palme, Sydney Ch'ng, Tsu-Hui (Hubert) Low, James Wykes, Cali E. Willet, Tracy Chew, Jean Yang, Marie Ranson, Jonathan R. Clark
Summary: Squamous cell carcinoma is a common malignancy in the head and neck region, and accurately distinguishing between oral and cutaneous cases is important for treatment decisions. In this study, the genomic features of oral squamous cell carcinoma (OSCC) and head and neck cutaneous squamous cell carcinoma (HNcSCC) were compared, revealing distinct characteristics and potential biomarkers for diagnosis.
Meeting Abstract
Medicine, Research & Experimental
Veronica Cheung, Dario Strbenac, Laveniya Satgunaseelan, Bruce Ashford, Jenny Mitchell, Tracy Chew, Cali Willet, Tsu-Hui (Hubert) Low, James Wykes, Sydney Ch'ng, Carsten Palme, Marie Ranson, Jean Yang, Jonathan Clark, Ruta Gupta
LABORATORY INVESTIGATION
(2023)
Article
Oncology
Gary Tincknell, Asma Naveed, Jane Nankervis, Ayesha Mukhtiar, Ann-Katrin Piper, Therese M. M. Becker, Lorraine Chantrill, Morteza Aghmesheh, Kara Lea Vine, Marie Ranson, Daniel Brungs
Summary: Patients with HER2-positive gastroesophageal adenocarcinoma have a significantly higher risk of developing brain metastasis, highlighting the importance of monitoring neurological symptoms in these patients.
Meeting Abstract
Oncology
Gary Tincknell, Asma Naveed, Ayesha Mukhtiar, Daniel Brungs, Marie Ranson
ASIA-PACIFIC JOURNAL OF CLINICAL ONCOLOGY
(2022)
Meeting Abstract
Gastroenterology & Hepatology
S. M. Z. Hosen, Z. Xu, A. R. Mekapogu, C. Perera, D. Goldstein, R. Pirola, J. Wilson, B. J. Buckley, M. Ranson, M. Apte
JOURNAL OF GASTROENTEROLOGY AND HEPATOLOGY
(2022)
Article
Chemistry, Organic
Faiza Diaba, Gisela Trenchs
Summary: The first violet light-mediated synthesis of gamma- and delta-lactams from N-alkenyl trichloroacetamides is reported in this paper. The reactions are conducted in tetrahydrofuran or 2-methyltetrahydrofuran as the sole solvent without catalysts or additives, under non-anhydrous conditions in an air atmosphere where the solvent serves as the radical initiator.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Feroze Hussain, Sajjad Ahmed, Ashiq Hussain Padder, Qazi Naveed Ahmed
Summary: This study reports a novel and efficient one-pot synthesis method for mixed phosphorotrithioates, which does not require supplementary additives and shows broad applicability.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Hyunjin Oh, Ikyon Kim
Summary: A new 1,2,4-triazole-pyrrolo[1,2-a]pyrazine hybrid system, 6-acylpyrrolo[1,2-a][1,2,4]triazolo[5,1-c]pyrazine, was synthesized using a catalyst-free method. This method involved sequential exposure of pyrrole-2-carbonitrile-derived substrates to DMF-DMA and acyl hydrazide, resulting in the formation of acylated pyrazine and 1,2,4-triazole rings, enabling the installation of various substituents at specific positions on the core skeleton.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Ming Yan, Si-fan Wang, Yong-po Zhang, Jin-zhong Zhao, Zhuo Tang, Guang-xun Li
Summary: Here we developed an efficient photocatalytic approach for the convenient preparation of sulfinamides. The reaction allows for the gram-scale preparation of sulfinamides and the one-pot synthesis of various sulfonyl amides.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Farzaneh Bandehali-Naeini, Zahra Tanbakouchian, Noushin Farajinia-Lehi, Nicolas Mayer, Morteza Shiri, Martin Breugst
Summary: Two tandem catalytic systems were developed for the synthesis of novel 3,4-disubstituted maleimides using the same Ugi adducts. Different maleimide structures can be synthesized using either Pd or Cu catalysis.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Tanya Raghava, Anjan Chattopadhyay, Subhadeep Banerjee, Nivedita Sarkar
Summary: Amine substitution of two ortho fluorine atoms of tetrafluoroterephthalonitrile through SNAr chemistry is easily achievable. But further fluorine substitution is only possible under forcing conditions, yielding valuable fluorophores for bioimaging.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Review
Chemistry, Organic
Anju Chadha, Santosh Kumar Padhi, Selvaraj Stella, Sowmyalakshmi Venkataraman, Thangavelu Saravanan
Summary: Alcohol dehydrogenases are enzymes that use cofactors for oxidation or reduction reactions of alcohols or carbonyl compounds. They are utilized in green chemistry and have applications in the production of pharmaceuticals. Recombinant enzymes have solved the challenge of producing purified enzymes in large quantities. Engineered alcohol dehydrogenases have been used in asymmetric synthesis in industry. Various methods have been established for regenerating expensive cofactors to make the enzymatic process more efficient and economically viable.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
