Article
Biotechnology & Applied Microbiology
Maria Cleveland, Mickael Lafond, Fan Roderick Xia, Ryan Chung, Paul Mulyk, Jason E. Hein, Harry Brumer
Summary: This work identifies two homologues from Fusarium species as aryl alcohol oxidases (AAOs) with unique catalytic diversity within the Auxiliary Activity Family 5/Subfamily 2 (AA5_2). Detailed enzymological analysis reveals the potential biotechnological applications of these orthologs in the production of renewable plastic polymer precursors and other chemicals. The study highlights the broader substrate scope of native CROs for applications beyond traditional galactose 6-oxidase activity.
BIOTECHNOLOGY FOR BIOFUELS
(2021)
Article
Biochemistry & Molecular Biology
Maria E. Cleveland, Yann Mathieu, David Ribeaucourt, Mireille Haon, Paul Mulyk, Jason E. Hein, Mickael Lafond, Jean-Guy Berrin, Harry Brumer
Summary: There is a growing interest in using enzymes as environmentally friendly catalysts to replace chemical reagents. Specifically, copper radical oxidases (CRO) from Auxiliary Activity Family 5 Subfamily 2 (AA5_2) are promising catalysts for the selective oxidation of alcohols. Recent studies have identified several alcohol oxidases within AA5_2, expanding the potential substrate scope among fungal CROs. This research has characterized twelve AA5_2 homologs and identified their predominant activities, paving the way for potential applications as biocatalysts in various processes.
CELLULAR AND MOLECULAR LIFE SCIENCES
(2021)
Article
Chemistry, Physical
Yann Mathieu, Maria E. Cleveland, Harry Brumer
Summary: Scientists have discovered a unique enzyme that can selectively oxidize alcohols to aldehydes and adapt to different carbohydrates. This finding has important implications for the design of improved biocatalysts.
Article
Chemistry, Physical
Yann Mathieu, Maria E. Cleveland, Harry Brumer
Summary: This study investigates the effect of deleting a specific loop in the active site of a Colletotrichum graminicola aryl alcohol oxidase on its catalytic activity, leading to changes in carbohydrate specificity and regiospecificity. The results highlight the catalytic adaptability of the mononuclear copper radical active site and provide a basis for designing improved biocatalysts for various applications.
Article
Chemistry, Inorganic & Nuclear
Chien-Wei Chiang, Yi-Hsien Chou, Chih-Hui Chou, Hung-Chi Chen, Jeng-Lung Chen, Liang-Ching Hsu, Wei-Hsiang Huang, Hung-Li Li, Yu-Hao Liu
Summary: This study investigates the mechanism of alcohol oxidation using a ferrocene-conjugated copper complex, offering valuable insights and potential for developing efficient and eco-friendly catalysts for chemical synthesis.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Shaoguang Zhang, Serge Ruccolo, Anna Fryszkowska, Artis Klapars, Nicholas Marshall, Neil A. Strotman
Summary: An electrochemical activation method for galactose oxidase (GOase) was developed to replace the expensive horseradish peroxidase activator in large-scale pharmaceutical processes. The study showed that the electron-transfer rates between GOase and various mediators depend on both the redox potential of the mediator and the pH. The electrochemical GOase activation method was successfully applied to the aerobic oxidation of benzyl alcohol derivatives and other compounds, including a key step in the biocatalytic cascade for the HIV therapeutic islatravir.
Article
Biochemistry & Molecular Biology
Radka Koncitikova, Lisa Zuily, Emeline Lemarie, David Ribeaucourt, Safwan Saker, Mireille Haon, Harry Brumer, Victor Guallar, Jean-Guy Berrin, Mickael Lafond
Summary: This study identified key amino acid residues involved in substrate selectivity of AA5_2 enzymes towards galactose-containing saccharides using a rational site-directed mutagenesis approach, revealing the differences in substrate preferences between alcohol oxidases and galactose oxidases.
Article
Chemistry, Multidisciplinary
Rachel S. Heath, Nicholas J. Turner
Summary: Enzymatic oxidation reactions are considered as sustainable alternatives to chemical oxidation processes due to their ability to work at ambient conditions without the need for toxic metal catalysts or external cofactor recycling systems. This review focuses on recent developments in oxidases, including enzyme discovery, engineering, and their application in cascade reactions. It also explores the process requirements for utilizing oxidases on an industrial scale, such as reactor design, oxygen supply, and the use of nonaqueous solvents.
CURRENT OPINION IN GREEN AND SUSTAINABLE CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Samuthirarajan Senthilkumar, Wei Zhong, Mookan Natarajan, Chunxin Lu, Binyu Xu, Xiaoming Liu
Summary: An efficient and green protocol for aerobic oxidation of benzylic alcohols using Cu-I-Y zeolite catalysts assisted by TEMPO as the radical co-catalyst was reported. The catalyst showed good durability and could quantitatively and selectively convert benzylic alcohols to corresponding aldehydes under mild conditions.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Zhiqiang Hao, Junhua Zhang, Xiaoying Zhang, Zhihong Ma, Zhangang Han, Jin Lin, Guo-Liang Lu
Summary: Three new mononuclear copper complexes were obtained by treating Cu(OAc)(2).H2O with three different Schiff-base ligands. These complexes showed efficient catalytic activity in the oxidation of alcohols and water was the only by-product.
Article
Chemistry, Multidisciplinary
Eden Kaddouch, Maria E. Cleveland, David Navarro, Sacha Grisel, Mireille Haon, Harry Brumer, Mickael Lafond, Jean-Guy Berrin, Bastien Bissaro
Summary: This study presents a simple method for direct measurement of galactose oxidase (GalOx) activity by identifying galactosylated oxidized products using high-performance anion-exchange chromatography coupled to pulsed amperometric detection (HPAEC-PAD). The results showed that this method is more sensitive than other methods.
Article
Plant Sciences
Sayo Kodama, Bastien Bissaro, Jean-Guy Berrin, Yasuyuki Kubo
Summary: Several plant pathogenic fungi use specialized cells called appressoria to directly penetrate the surface of host plants. These fungi can infect a wide range of plant species, including important commercial crops. The differentiation of appressorium relies on the detection and response to signals on the plant surface. Our research with the cucumber anthracnose fungus has shown that long chain aliphatic molecules produced by the hydrolysis of plant surface cuticle serve as signaling molecules. Additionally, we have discovered the recognition of plant surface signals during plant penetration mediated by a pair of enzymes.
PHYSIOLOGICAL AND MOLECULAR PLANT PATHOLOGY
(2023)
Article
Chemistry, Inorganic & Nuclear
Tianye Gao, Lizhen Meng, Guang Zeng, Zhiqiang Hao, Zhangang Han, Qi Feng, Jin Lin
Summary: In this study, four dual-ligand coordinated copper complexes were successfully synthesized by reacting with different ligands, providing new options for catalyst research. These complexes exhibited high catalytic activity and good selectivity for the oxidation of primary and secondary alcohols.
Article
Biochemistry & Molecular Biology
Scott Mazurkewich, Andrea Seveso, Johan Larsbrink
Summary: Copper radical oxidases (CROs) are redox enzymes that oxidize alcohols or aldehydes using a single copper atom as cofactor. This study characterized an AA5 enzyme from the bacterial pathogen Burkholderia pseudomallei that was fused with a carbohydrate esterase family 3 domain. The enzyme showed promiscuous primary alcohol oxidase activity similar to enzymes from subfamily 2, while the esterase domain was inactive due to substitutions in the active site residues.
Article
Engineering, Environmental
Yao Chen, Jinxin Zou, Jian Sun, Qiong Qin, Peijun Ji, Wei Feng
Summary: In this study, GO-inorganic hybrid nanoflowers were successfully prepared using non-enzymic Cu(II) and Zr(IV), achieving high catalytic conversion of 5-hydroxymethylfurfural. The synergistic catalysis of NECu(II) and Zr(IV) leads to the activation of encapsulated GO, generating hydroxyl radicals and oxygen. The persistent and efficient activation of encapsulated GO significantly enhances the conversion of 5-hydroxymethylfurfural.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Physical
Xinlei Chen, Shiyi Chen, Xuele Lin, Jingxuan Zhou, Xingjun Gao, Yaoqi Zhen, Xiaodan Ma, Shouwen Jin, Linfang Shi, Hui Liu, Daqi Wang
Summary: Nine mixed-ligand Cd2+ complexes with different geometric structures were synthesized and characterized. The complexes exhibit various coordination modes and form both intra- and intermolecular hydrogen bonds.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Rupali Mahajan, Abhishek Sharma, Bhagyashree Patra, Lijo Mani, Parul Grover, Sandeep Kumar, Santosh Kumar Guru, Gananadhamu Samanthula, Amol G. Dikundwar, Amit Asthana
Summary: This research article provides a comprehensive characterization and toxicological assessment of a photoisomeric impurity of the antianemic drug Roxadustat. The impurity has a distinct structure compared to the drug and its formation due to light exposure is a concern. Through various experiments, including single crystal XRD, physicochemical characterization, and in vitro cytotoxicity assays, the researchers confirmed the structure of the impurity, evaluated its conversion with Roxadustat, and assessed its toxicological activity. These findings contribute to the understanding of drug stability, safety, and formulation development.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Laila S. Alqarni, Azzah M. Alghamdi, Nuha Y. Elamin, A. Rajeh
Summary: The solution casting method was used to produce a new type of nanocomposites made of chitosan, gelatin, and co-doped ZnO nanoparticles. The addition of 3.5% co-doped ZnO nanoparticles improved the physicochemical characteristics and antimicrobial effects of the nanocomposites, indicating their significant potential in food packaging and energy storage.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ruchi Gaur
Summary: The structure and intermolecular interactions of a newly synthesized bis-chalcone THXA were studied using experimental and computational methods. The importance of non-covalent interactions such as pi center dot center dot center dot pi, C-H center dot center dot center dot S, and C-H center dot center dot center dot pi was revealed.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Andrii Bazylevich, Leonid Patsenker, Sarit Aviel-Ronen, Gary Gellerman
Summary: Drug combination therapy is commonly used for treating various skin disorders, but its effectiveness is often limited. In this study, researchers synthesized conjugates of anti-pigmenting drugs and hyaluronic acid (HA) to improve treatment efficacy. These HA-drug conjugates exhibited measurable drug release profiles and demonstrated superior depigmentation effects compared to control groups in a swine model.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Xiaodan Ma, Xinlei Chen, Yaoqi Zhen, Xunjie Zheng, Chengzhe Shi, Shouwen Jin, Bin Liu, Bin Chen, Daqi Wang
Summary: Cocrystallization experiments between minoxidil and aryl acids coformers resulted in the successful formation of multi-component samples. The nature of these samples was determined using various techniques and their structural and supramolecular aspects were investigated. The outcomes revealed the importance of nonbonding contacts and different types of interactions in stabilizing and expanding the crystal structures.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Najla A. Alshaye, Magdy A. Ibrahim, Al-Shimaa Badran
Summary: The chemical behavior of 3-substituted-6,8-dimethylchromones towards phenylhydrazine was examined. Different reaction conditions produced various products, and the molecular geometries and reactivity descriptors of the compounds were also investigated. The results suggest that these compounds are suitable for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Hayette Alliouche, Houria Bouria, Rafik Bensegueni, Mounia Guergouri, Abdelmalek Bouraiou, Ali Belfaitah
Summary: In this paper, a combined experimental and theoretical study was conducted to synthesize and characterize new 2-quinolone-piperidine and -morpholine hybrids. The results from experiments were validated using computational calculations, and the affinity between these compounds and Acetylcholinesterase/Butyrylcholinesterase was estimated through molecular docking.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Wei-Min Chen, Juan-Juan Shao, Yi Zhang, Zhen-Dong Xue, Peng-Lai Liu, Jian-Ling Ni, Li-Zhuang Chen, Qiang Gao, Fang-Ming Wang
Summary: This study synthesized and characterized a novel Mn-based LMOF, and achieved good results in detecting heavy metal Al3+ in water, showing good stability, high selectivity and sensitivity. This provides new insights into the potential applications of Mn-based MOFs in chemical sensing.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Jun-Xia Li, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Xun Feng, Wei-Zhou Wang
Summary: This study synthesized two cobalt(II) complexes and analyzed their crystal structures using single-crystal X-ray diffraction. The results showed that the crystal structures of these complexes were different, and they exhibited different crystal packing and magnetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Yang Li, Yan Zhang, Hong Xu, Min Li, Zhen Li, Zi-yu Song, Ji-shi Chen, Yan-Jun Liu, Yong Sun, Zhao Yang
Summary: This study reports the synthesis and solid-state characterization of a new pharmaceutical cocrystal, PRO-BPE, which can enhance the solubility of the highly water-insoluble prodrug probenecid. The PRO-BPE cocrystals were found to have superior water solubility compared to pure PRO. This research provides valuable insights into improving the solubility of poorly soluble drugs.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Lucas G. B. Felicio, Bianca B. M. Vieira, Ivana S. Lula, Renata Diniz, Frank Alexis, Flavio B. Miguz, Frederico B. De Sousa
Summary: A novel spiropyran derivative was synthesized for heavy metals sensing in water. The results demonstrated that the new derivative can serve as a rapid, sensitive, and simple tool for detecting Hg2+ ions in water with high selectivity.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Junqing Meng, Jie Wang, Lijuan Wang, Chunhui Lyu, Haiyan Chen, Yingpei Lyu, Baisheng Nie
Summary: Material modification with low surface energy can achieve lower surface free energy on micro-and nano-rough structures, which is crucial for developing superhydrophobic surfaces. In this study, attapulgite (APT) was modified with alkylamine, alkylammonium salt, and stearic acid, and the interaction between low surface materials and attapulgite was explained. The results showed that the hydrophobicity of APT was significantly modified by the modifiers, and the surface free energy of the composites first decreased and then increased with increasing molecular number of low surface energy monomers.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen
Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra
Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.
JOURNAL OF MOLECULAR STRUCTURE
(2024)