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ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY · 2017 · IF 3.743

Biodegradation and detoxification of chlorimuron-ethyl by Enterobacter ludwigii sp. CE-1

Xiong Pan,Saige Wang,Nan Shi,Hua Fang,Yunlong Yu

The application of the herbicide chlorimuron-ethyl has a lasting toxic effect on some succession crops. Here, a bacterium capable of utilizing chlorimuron-ethyl as the sole source of nitrogen was isolated from the contaminated soil and was identified as Enterobacter ludwigii sp. CE-1, and its detoxification and degradation of the herbicide were then examined. The biodegradation of chlorimuron-ethyl by the isolate CE-1 was significantly accelerated with increasing concentration (1–10   mg/l) and temperature (20–40   °C). The optimal pH for the degradation of chlorimuron-ethyl by the isolate CE-1 was pH 7.0. A pathway for the biodegradation of chlorimuron-ethyl by the isolate CE-1 was proposed, in which it could be first converted into 2-amino-4-chloro-6-methoxypyrimidine and an intermediate product by the cleavage of the sulfonylurea bridge and then transformed into saccharin via hydrolysis and amidation. The plant height and fresh weight of corn that had been incubated in nutrient solution containing 0.2   mg/l of chlorimuron-ethyl significantly recovered to 83.9% and 83.1% compared with those in the uninoculated control, although the root growth inhibition of chlorimuron-ethyl could not be alleviated after inoculation for 14 d. The results indicate that the isolate CE-1 is a promising bacterial resource for the biodegradation and detoxification of chlorimuron-ethyl.

CAS / MDL: 5734-64-5 81-07-2
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Pharmaceutics · 2017 ·Vol. 9 ·期 4 ·54 · IF 0

Preparation and Characterization of Carbamazepine Cocrystal in Polymer Solution

Hao Zhang,Ying Zhu,Ning Qiao,Yang Chen,Linghuan Gao

In this study, we attempted to prepare carbamazepine (CBZ) cocrystal through the solution method in ethanol-water solvent mixture (volume ratio 1:1) and polyvinyl pyrrolidone (PVP) solution. Nicotinamide (NIC) and saccharin (SAC) were selected as cocrystal coformers. Cocrystal screening products were characterized by Fourier Transform Infrared Spectroscopy (FTIR), Differential Scanning Calorimetry (DSC), and Powder X-ray Diffraction (PXRD) techniques. Characterization results show that in ethanol-water solvent mixture, pure CBZ-NIC cocrystal can be prepared, while CBZ-SAC cocrystal cannot be obtained. The addition of PVP can inhibit CBZ-NIC cocrystal formation and facilitate CBZ-SAC cocrystal formation.Keywords:cocrystal preparation;polyvinyl pyrrolidone;carbamazepine;nicotinamide;saccharin

CAS / MDL: 98-92-0 81-07-2
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2016 · IF 8.328

Efficient Pt-free electrocatalyst for oxygen reduction reaction: Highly ordered mesoporous N and S co-doped carbon with saccharin as single-source molecular precursor

Yongqi Hua,Tingting Jiang,Kun Wang,Mingmei Wu,Shuqin Song,Yi Wang,Panagiotis Tsiakaras

Despite that nitrogen (N) and sulfur (S) co-doped ordered mesoporous carbon (OMC) as Pt-free catalyst for oxygen reduction reaction (ORR) shows a desirable performance, the synthesis method is always complicated and expensive, which greatly hinders its development and application. In the present work, a highly ordered mesoporous N and S co-doped carbon material is developed. The material is obtained by combining hard template and high-temperature pyrolysis method using cheap saccharin as a single-source molecular precursor, SBA-15 as the hard template and FeCl 3 as the catalyst to promote the carbonization process. It is found that the as-prepared SN-OMC catalyst, compared with the commonly used commercial Pt/C (20   wt.%), exhibits comparable ORR electrocatalytic activity with mainly four-electron (4e − ) process, superior stability and inertness to methanol in alkaline media, which could mainly benefit from the highly ordered mesoporous structure and the synergistic effect caused by the dual N and S doping. These advantages render SN-OMC a promising ORR electrocatalyst and a cheap alternative to Pt/C for practical fuel cell applications .

CAS / MDL: 10025-77-1 81-07-2
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ANALYTICA CHIMICA ACTA · 2024 · IF 5.7

Engineering the nanozyme hydrogel beads by polyvinyl alcohol/chitosan encapsulation with recyclable and sustainable catalytic activity for visual analysis of hydrogen peroxide

Chonghui Wei,Shu Zhu,Jiacheng Lu,Aoran Guan,Yan Sun,Liyun Zeng,Jinghao Fu,Xingyu Luo

Background Hydrogen peroxide (H 2 O 2 ) plays a vital role in human health and have been regarded as a crucial analyte in metabolic processes, redox transformations, foods research and medical fields. Especially, the long-time and excessive digestion of H 2 O 2 may even cause severe diseases. Although conventional instrumental methods and nanozymes-based colorimetric methods have been developed to accomplish the quantitative analysis of H 2 O 2 , the drawbacks of instrument dependence, cost-effectiveness, short lifespan, non-portable and unsustainable detection efficacies will limit their applications in different detection scenarios. Results Herein, to address these challenges, we have proposed a novel strategy for nanozyme (RuO 2 ) hydrogel preparation by the solid support from cross-linked polyvinyl alcohol (PVA) and chitosan (CS) to both inherit the dominant peroxidase-like (POD) activity and protect the RuO 2 from losing efficacies. Taking advantages from the hydrogel, the encapsulated RuO 2 were further prepared as the regularly spherical beads (PCRO) to exhibit the sustainable, recyclable, and robust catalysis. Moreover, the intrinsic color interferences which originated from RuO 2 can be avoided by the encapsulation strategy to promote the detection accuracy. Meanwhile, the high mechanical strength of PCRO shows the high stability, reproducibility, and cyclic catalysis to achieve the recyclable detection performance and long lifetime storage (40 days), which enables the sensitively detection of H 2 O 2 with the detection limit as lower to 15 μM and the wide detection linear range from 0.025 to 1.0 mM. Significance On the basis of the unique properties, PCRO has been further adopted to construct a smartphone detection platform to realize the instrument-free and visual analysis of H 2 O 2 in multi-types of milk and real water samples through capturing, processing, and analyzing the RGB values from the colorimetric photographs. Therefore, PCRO with the advanced detection efficacies holds the great potential in achieving the portable and on-site analysis of targets-of-interest.

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EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS · 2024 · IF 4.4

Efficient cocrystal coformer screening based on a Machine learning Strategy: A case study for the preparation of imatinib cocrystal with enhanced physicochemical properties

Xiaoxiao Liang,Shiyuan Liu,Zebin Li,Yuehua Deng,Yanbin Jiang,Huaiyu Yang

Cocrystal engineering, which involves the self-assembly of two or more components into a solid-state supramolecular structure through non-covalent interactions, has emerged as a promising approach to tailor the physicochemical properties of active pharmaceutical ingredient (API). Efficient coformer screening for cocrystal remains a challenge. Herein, a prediction strategy based on machine learning algorithms was employed to predict cocrystal formation and seven reliable models with accuracy over 0.890 were successfully constructed. Imatinib was selected as the model drug and the models established were applied to screen 31 potential coformers. Experimental verification results indicated RF-8 is the optimal model among seven models with an accuracy of 0.839. When the seven models were combined for coformer screening of Imatinib, the combinational model achieved an accuracy of 0.903, and eight new solid forms were observed and characterized. Benefiting from intermolecular interactions, the obtained multicomponent crystals displayed enhanced physicochemical properties. Dissolution and solubility experiments showed the prepared multicomponent crystals had higher cumulative dissolution rate and remarkably improved the solubility of imatinib , and IM-MC exhibited comparable solubility to Imatinib mesylate α form. Stability test and cytotoxicity results showed that multicomponent crystals exhibited excellent stability and the drug-drug cocrystal IM-5F exhibited higher cytotoxicity than pure API.

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JOURNAL OF POWER SOURCES · 2024 · IF 8.1

Electrooxidation of furfural on an electrodeposited NiMoP electrode to simultaneously produce hydrogen and 2-furancarboxylic acid at industrial current levels

Jia Cheng,Zhiwei Zeng,Xun Huang,Zidong Wei

The electrocatalytic oxidation of furfural (FA) for the production of valuable chemicals, such as 2-furancarboxylic acid (FAC), presents an attractive alternative to the sluggish oxygen evolution reaction during water electrolysis for hydrogen production. However, the activity and stability of the current electrocatalysts still require further enhancement. In this study, NiMoP is fabricated on Ni foam through pulsed electrodeposition to facilitate the electrooxidation of FA for FAC production in an alkaline environment. A low voltage of 1.43 V vs. reversible hydrogen electrode (RHE) is adequate to achieve a current density of 500 mA cm −2 , with FAC selectivity and Faraday efficiency reaching 97.5 % and 95.2 %, respectively. The extended electrolysis of FA using a continuous-flow electrolytic cell under high current density (500 mA cm −2 ) demonstrates consistent stability at a cell voltage around 1.8 V over a 35-h duration.

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Materials Today Communications · 2024 · IF 3.7

Facile construction of CeO2@MoS2 nanohybrid for enhancing tribological performance of electroplated Co-based composite coatings

Jianyu Xu,Cansen Liu,Ran Zhang,Xiaoqing Deng,Yaping Zhou

Developing and manufacturing novel coatings with excellent tribological performance using environmentally friendly and simple methods hold significant potential and challenge for reducing energy consumption and carbon emissions. Here, we use a gentle method to synthesize the MoS 2 -load CeO 2 nanohybrid (CeO 2 @MoS 2 ) as an additive to construct a Co-CeO 2 @MoS 2 composite coating with friction reduction and wear resistance through a low-cost electrodeposition technique. The friction measurement results show that CeO 2 @MoS 2 nanohybrid effectively reduces the friction coefficient and increases the wear resistance compared to single CeO 2 or MoS 2 . The synergistic effect of hard CeO 2 and soft MoS 2 gives the Co-CeO 2 @MoS 2 coating with an extremely low coefficient of friction of about 0.05 and a wear rate of about 3.53×10 −6 mm 3 (N·mm) −1 . In addition, the Co-CeO 2 @MoS 2 coating can maintain an extremely low coefficient of friction with long-term stability in tribological tests. This work provides a novel strategy for constructing coatings with remarkable tribological performances and promotes the application of CeO 2 @MoS 2 nanohybrid as an additive to improve material properties.

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Chemical Engineering and Processing-Process Intensification · 2024 · IF 3.8

Intensified solid-state transformation during anti-solvent cocrystallization in flow

Dishika Gupta,Andrew T.C. Mak,Richard Lakerveld

Pharmaceutical cocrystals consist of an active pharmaceutical ingredient and a coformer in a fixed stoichiometric ratio. They can improve the manufacturability and properties of a drug powder. However, the manufacture of cocrystals is often more complicated compared to crystals of an active ingredient due to the possible formation of different solid-state forms. Cocrystallization through anti-solvent addition is a commonly used technique. However, the risk of nucleation of multiple solid-state forms is often high due to the high supersaturation levels achieved during anti-solvent crystallization. Therefore, intensifying a solution-mediated phase transformation is important. In this work, the ability of tubular flow crystallizers to intensify the phase transformation process in the carbamazepine-saccharin cocrystal system is characterized and compared to a conventional stirred tank crystallizer. The influence of the flow rate, tubular crystallizer type, and ratio of residence time in the tube to that in the tank are documented. The phase transformation process is substantially faster with the tubular crystallizers compared to that in a stirred tank crystallizer, which we explain through increased nucleation rates. We show that such intensification can be achieved either by recirculating the slurry through a static mixer or by installing a tubular crystallizer upstream of a stirred tank crystallizer.

CAS / MDL: 81-07-2
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JOURNAL OF ELECTROANALYTICAL CHEMISTRY · 2024 · IF 4.1

Dynamic hydrogen bubble template electrodeposition of a self-supported Co-P electrocatalyst for efficient alkaline oxygen evolution reaction

Yunhao Zhang,Yanxin Qiao,Yihui Wu

The development of efficient, inexpensive, and earth-abundant electrocatalysts for the oxygen evolution reaction (OER) represents a significant challenge for the large-scale production of hydrogen. The primary obstacle to the advancement of OER is the necessity for a considerably higher overpotential than the theoretical oxygen evolution potential, due to the sluggish kinetics of the electron transfer reaction, which involves a large amount of thermodynamic energy. In this article, amorphous and cauliflower-like Co-P electrocatalysts were in situ grown on nickel foam by dynamic hydrogen bubble template (DHBT) electrodeposition method. The Co-P electrocatalyst with Co/P ratio optimal presented excellent electrocatalytic activities with a low overpotential of 239  mV for OER at 10  mA·cm −2 and long-term stability in 1.0 M KOH. The outstanding OER performance of the catalyst is mainly attributed the synergistic effect of amorphous and cauliflower-like structure, superhydrophilicity surface, and the electronic regulation by adjusting the atomic ratio of Co to P. This research will bring fresh ideas and strategies for developing novel simple, affordable, and efficient electrocatalysts to boost OER kinetics.

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MATERIALS CHARACTERIZATION · 2024 · IF 4.8

Modulation of Co-depleted zone and shear strength of YG18/40Cr joints by pre-plated Co layer on YG18 surface

Zhaoyang Zheng,Dong Han,Hailong Zhang,Shilin Ma,An Du,Ruina Ma,Yongzhe Fan,Xue Zhao,Xiaoming Cao

The multi-layer composite filler metal (YG18 surface pre-plated with Co layer + Ag–Cu–In–Ti filler metal) was designed in this study. The mechanism of modulation of Co-depleted zone and shear strength of joints by Co plating was elucidated. A more significant Co-rich layer existed around the WC particles, meanwhile, the presence of plastical Ag–Cu–In ternary eutectic between the Ti Co layer and the YG18/TiC layer relieved the joint stress and ensured that no cracks were generated in the Ti Co layer. Under the condition that the width of the Co-depleted zone was smaller (less than 3 μm), the presence of the dispersed Ti 2 Cu particles surrounded by the plastic phases ternary eutectic and Cu [s, s] in the filler layer was superior in terms of preventing crack propagation and absorbing the stress concentration. The best modulation of the filler layer microstructure and the Co-depleted zone was achieved when the pre-plated Co layer was around 2.5 μm. The Co-depleted zone was reduced by 50%, and the shear strength of joints was increased by 49% to 291 MPa. The results of the study provide a new way to design new multilayer composite filler metal.

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CRYSTAL GROWTH & DESIGN · 2024 · IF 3.2

Uncovering Cocrystal Formation and Competition Mechanism of Polyhydroxy Natural Products: Cases of Quercetin, Hesperidin, Resveratrol, and Curcumin

Detao Li,Wenqian Chen,Limin Zhou,Li Xu,Feiqiang He,Jerry Y Y Heng,Hamza Shehzad,Jinbo Ouyang

Understanding drug cocrystal formation and its competitive mechanism is important for improving the physicochemical properties of drugs. In this article, the cocrystal formation of polyhydroxy natural products and their competitive mechanisms are discussed through experimental screening and theoretical calculations. The formation conditions and types of cocrystals were determined based on efficient screening experiments of polyhydroxy natural product cocrystals. To investigate the difficulty and stability of cocrystal formation, competitive cocrystal experiments of polyhydroxy natural products were carried out simultaneously. By simulation of the electrostatic potential surface of molecules and the Hirshfeld surface of crystals, the mode of hydrogen bonding within the crystals was determined. The strength of hydrogen bonding was assessed based on the intermolecular interactions and energy framework within the crystal structure. A “substitution model” was constructed based on experimental results and theoretical calculations, which is of great significance for the prediction and design of natural product cocrystals and provides a feasible solution for improving the physicochemical properties of drugs.

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SEPARATION AND PURIFICATION TECHNOLOGY · 2024 · IF 8.1

Unraveling the competitive cocrystallization behavior of natural products and impact of intermolecular interactions on their stability

Detao Li,Zichen Ning,Zhuoshan Gong,Limin Zhou,Li Xu,Hamza Shehzad,Yan Zhao,Heng Jerry,Jinbo Ouyang

Design of natural product cocrystals and its formation mechanism are of great significance importance to the development of fields such as medicine, food, cosmetics, and agriculture. In this research, alkaloids (theophylline, theobromine) and polyhydroxy natural products (quercetin, resveratrol, naringin) were selected as the research subjects. Through competitive cocrystal experiments, the study explored the stability differences among different cocrystals. Based on theoretical calculations, the study determined the hydrogen bonds and π-π bonds within the crystals were identified. Combined with cocrystal structure analysis, we discussed the influence of hydrogen bonding networks and π-π stacking modes on cocrystal stability. According to these results, the study correlated the cocrystal stability with void level, establishing the void formula to predict the stability between different cocrystals. Additionally, it summarized the structural unit cell model of natural product cocrystals, revealing formation mechanism of cocrystals, and intuitively demonstrating effect of intermolecular interactions on stability of crystal. Finally, we proposed the stability law, establishing a close connection between intermolecular interactions, void level, and cocrystal stability, providing a theoretical basis for exploring relationship between cocrystal microstructure and stability.

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