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JOURNAL OF CHEMICAL EDUCATION · 2024 · IF 2.5

Two-Step Synthesis of 4-Hydroxy-3,5-dimethylphenyl Benzoate: Undergraduate Organic Laboratory of Electrophilic Aromatic Substitution and Nucleophilic Aromatic Substitution

Huifa Han,Yali Qin,Fan Wang,Ning Ding,Fang Fang,Lihong Hu,Hongming Jin,Yinan Zhang

Electrophilic aromatic substitution (SEAr) and nucleophilic aromatic substitution (SNAr) reactions are among the most valuable reactions in the conversion of aromatic rings. While these reactions are typically covered in separate experiments in undergraduate organic courses, a continuous experimental setup elucidating both SEAr and SNAr processes remains unexplored in the literature for undergraduate laboratories. We herein described a two-step experimental design to cascade the SEAr and SNAr reactions, aiding students in better understanding the similarities and differences of these conversions as well as introducing the concept of umpolung. The experiment also reinforces students’ proficiency in fundamental organic synthesis techniques and workup procedures, such as TLC analysis, chromatography purification, recrystallization, and handling LRMS and NMR.

CAS / MDL: 121-33-5
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MOLECULAR CRYSTALS AND LIQUID CRYSTALS · 2025 · IF 0.7

Isomorphic structures of two complexes based on 5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1,3-benzenedicarboxylic acid as ligand

Yang Yun-Xia,Fu Shi-Huia,Ma Xiao-Na,Guo Ying-Wa,Wu Xiang-Xiang

In this article, two novel complexes with 5-[[4-(2H-Tetrazol-5-yl)phenyl]methoxy]-1,3-benzenedicarboxylic (HL) as ligand were synthesized under solvothermal conditions: [Co2L(H2O)2]∙2H2O (1), [Zn2L(H2O)2]∙2H2O (2). However, these two complexes are very unstable because they tend to lose their water molecules under room temperature. Single crystal X-ray diffraction analysis under low temperature show that these two complexes are isomorphic and the Schleffli symbol of the topological structure is {322.416.57}{341.468.511}. Interestingly, two unique Co atoms link with one water molecules to form a binuclear cluster, then the cluster further coordinates with the organic ligand and water molecules to infinitely extend to be one-dimensional chain, and the chains are connected with four nitrogen atoms of the ligands to form a two-dimensional layer structure, which are further connected to generate the final three-dimensional framework.

CAS / MDL: 10026-22-9 10196-18-6
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY · 2025 · IF 3.8

Core-shell Au@4-MBA@Ag enhanced SERS immunochromatography for rapid and on-site detection of deoxynivalenol in animal feeds

Song Xinyi,He Zhaoyuan,Tan Siyuan,Cong Siyu,Lu Wuli,Mai Zedeng,Jiang Mingsheng,Wen Yu,Liu Cheng,Chen Hailan

Deoxynivalenol (DON), a highly stable and globally prevalent mycotoxin, has become a critical food safety concern due to its widespread contamination in animal feed, particularly in corn, wheat, and other cereal-based ingredients. As one of the most frequently detected mycotoxins in feedstuffs, DON contamination not only causes significant economic losses in livestock production but also poses severe health risks to animals, including vomiting, immunosuppression, and growth retardation, which may ultimately affect human health through the food chain. Existing detection methods for DON are often limited by time-consuming procedures or analytical complexity. Here, we report a novel surface-enhanced Raman scattering-based lateral flow immunoassay (SERS-LFIA) for rapid, sensitive, and specific detection of DON residues in animal feeds. The biosensor employs core-shell Au@4-MBA@Ag nanoparticles functionalized with 4-mercaptobenzoic acid (4-MBA) as a Raman reporter and DON-specific antibodies for target recognition. After systematic optimization, the SERS-LFIA platform achieved both qualitative and quantitative detection within 16 min, with an exceptionally low limit of detection (LOD) of 0.01 µg/kg. The assay demonstrated excellent specificity, showing no cross-reactivity with other major mycotoxins, including aflatoxin B 1 , zearalenone, and ochratoxin A. Remarkable reproducibility was evidenced by intra- and inter-batch coefficients of variation (CV) of 3.51% and 2.19%, respectively. The test strips maintained stability for at least 3 months at 4 ± 0.5 °C and for 2 months at 25 ± 0.5 °C, making them particularly suitable for routine monitoring in feed mills and farms. This innovative SERS-LFIA system represents a significant advancement in mycotoxin detection technology, offering a robust, field-deployable solution for monitoring DON contamination in animal feed, which is crucial for ensuring feed safety and animal health. Graphical

CAS / MDL: 1074-36-8
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NEW JOURNAL OF CHEMISTRY · 2025 · IF 2.5

Facile one-step synthesis of Fe-doped Mo3(O,S)4−x/La4Mo2O11 nanocomposites for efficient photodegradation of dye pollutants

Sleshi Fentie Tadesse,Worku Lakew Kebede,Dong-Hau Kuo

Visible-light-driven photocatalysis is an efficient and environmentally benign approach to mitigate organic pollutants from waste effluents. A facile one-step precipitation method was used to synthesize Fe–Mo3(O,S)4−x/La4Mo2O11 (FeLaMoOS) nanocomposites. The as-prepared materials were characterized by XRD, SEM, HR-TEM, XPS, PL, EIS, photocurrent, and UV-visible spectroscopy. The type I heterojunction formed between Fe–Mo3(O,S)4−x and La4Mo2O11 exhibited a maximum light absorption response in the visible spectrum. The FeLaMoOS composite (13% Fe and 20% La) demonstrated the highest degradation efficiency, degrading 97.5% MO and 99.2% RhB in 90 min. The removal efficiency of MB was 99.6% after 45 min of magnetic stirring in the dark. The enhanced catalytic efficiency can be attributed to the effective charge separation of photoinduced e−–h+ pairs due to doping and heterojunction formation. Superoxide radicals (O2˙−) played a dominant role, while hydroxyl radicals (˙OH) played only a minor role, in the photocatalytic degradation process. Possible photocatalytic degradation mechanisms of organic dye molecules were proposed, based on the active radical species involved and the band potentials of the photocatalysts. This study can be used to establish a simple and efficient strategy for designing reusable composite photocatalysts for the degradation of organic dyes.

CAS / MDL: 62-55-5
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PROCEEDINGS OF THE COMBUSTION INSTITUTE · 2024 · IF 5.3

Phosphoric acid catalytic mechanism in lignin pyrolysis: Phosphoric-acid-assisted hydrogen transfer for the decomposition of β-O-4 linkage

Wen-luan Xie,Bin Hu,Xiao Yang,Ji Liu,Zhi-mo Fang,Kai Li,Yang-wen Wu,Bing Zhang,Qiang Lu

Phosphoric acid is an effective and widely used catalyst for biomass pyrolysis, with significant catalytic impact on the pyrolytic reactions and product distribution. However, its fundamental catalytic mechanism in lignin pyrolysis remains unclear. In this work, we proposed and investigated three possible H 3 PO 4 -assisted pyrolysis mechanisms, i.e., hydrogen-bond-induced decomposition, phosphoric-acid-assisted hydrogen transfer (H 3 PO 4 -AHT), and phosphorolysis, and carefully discussed them through theoretical calculations, electronic structure analyses, catalytic pyrolysis experiments using the β -O-4 linked lignin model. The results indicated that the H 3 PO 4 -AHT mechanism played a dominant role in lignin catalytic pyrolysis, superior to the other two mechanisms. The phosphoric acid molecule could take advantage of its unsaturated P = O and saturated P −OH groups for hydrogen donation and acceptance in concerted H 3 PO 4 -AHT reactions. Alternatively, it could also participate in concerted intermolecular hydrogen transfer with the active hydroxyl group as a mediator. The C β −O bond cleavage could be significantly enhanced by effectively reducing the tension of the transition state ring, leading to the generation of more phenol and styrene in pyrolysis experiments. Due to the inhibition of hydrogen abstraction, C α −C β breakage of β -O-4 linkage, side chain removal of primary products, etc., the formation of other products in phosphoric acid catalytic pyrolysis of β -O-4 linked lignin was restrained. This H 3 PO 4 -AHT catalytic mechanism was also confirmed to be conductive to tautomerism, elimination, dehydration, α -O-4 linkage fracture, β -1 linkage fracture, and other important decomposition reactions in lignin pyrolysis. The understanding of these mechanisms provides valuable insights into the role of phosphoric acid in lignin pyrolysis and may guide the development of effective biomass catalytic conversion methods.

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FOOD CHEMISTRY · 2025 · IF 9.8

Enantioselective toxicological effects of chiral profenofos and 2-Bromo-4-chlorophenol on bovine serum albumin: Molecular-cellular-biological multilevel evaluation

Wenze Li,Weichen You,Xiaofan Yang,Yi Wang,Rimao Hua,Saraschandra Naraginti,Meiqing Zhu

As a typical chiral organophosphate insecticide, the enantiomer of profenofos exhibits significant bioselective toxicity in the environment. This study investigates the enantioselective effects of chiral profenofos and 2-Bromo-4-chlorophenol on BSA. Multispectral analysis confirmed that S/R -profenofos and 2-Bromo-4-chlorophenol alterd the microenvironment of BSA, decreasing the α-helices content from 53.6 % to 52.9 %, 53.0 %, and 52.8 %. The binding constants K a for the interaction of S/R -profenofos and 2-Bromo-4-chlorophenol with BSA were 4.70, 4.66 and 4.23 × 10 4  M −1 , respectively. The LC 50 of S/R -profenofos and 2-Bromo-4-chlorophenol for zebrafish were about 0.670, 0.739 and 0.954 mg/L, while the acetylcholinesterase inhibition rate were 86.64 %, 81.21 % and 73.64 %, respectively. The toxicity levels follows the pattern of S -profenofos> R -profenofos>2-Bromo-4-chlorophenol, which was also confirmed by the molecular docking and cell experiments. This study evaluated the interaction mechanism between chiral pesticides and model proteins at the molecular level, providing a new perspective on the food safety risk of chiral pesticides.

CAS / MDL: 9048-46-8
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JOURNAL OF MOLECULAR LIQUIDS · 2021 · IF 6.165

An in vitro and in silico study to explore the response of catalase to 4-chlorophenol and their interacting mechanisms

Jing Wang,Xinping Yu,Rui Jia,Rutao Liu,Wansong Zong

The present study conducted a novel strategy combining cellular and molecular methods to explore whether catalase (CAT) response is involved in 4-chlorophenol (4-CP) induced cytotoxicity and to investigate the detailed mechanism of CAT response to 4-CP. The results showed that the inhibition of CAT activity was not the primary cause of oxidative stress and cytotoxicity under 4-CP exposure. The decrease of intracellular CAT activity was contributed by the modulation of reactive oxygen species and the activity inhibition of CAT molecule. Isothermal titration calorimetry and molecular docking studies found that 4-CP binds to CAT with one binding site at the cavity between helical domain and threading arm majorly through van der Waals forces and hydrogen bonding. UV–vis absorption spectra showed that the binding unfolded the polypeptide chains of CAT and did not exhibit direct interruptions to heme groups around the active sites. Circular dichroism spectra found that the interaction caused secondary structure changes in CAT with a loss of α-helix content, which could be explained by the interaction of 4-CP with the residue HIS 62 in the binding site. Resonance light scattering spectra found that the aggregation state of CAT reduced under 4-CP exposure. These structural changes could influence the conformation around the active sites and then lead to the inhibition of molecular activity.

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NEW JOURNAL OF CHEMISTRY · 2025 · IF 2.5

Dual defected g-C 3 N 4 Faraday cage-type electrochemiluminescence immunosensor for ultrasensitive ' turn on ' detection of carcinoembryonic antigen

Qian Zhang,Qianrui Yang,Tianci Liu,Yuchen Yue,Jingran Zhang,Guifu Zuo

In this work, a novel Faraday cage-type electrochemiluminescence (ECL) biosensor was constructed for the ultrasensitive "turn on" detection of CEA. The capture unit was prepared by immobilizing the Carcinoembryonic antibody Ab 1 onto the functionalized magnetic Fe 3 O 4 nanoparticles, while the detection unit consisted of modified g-C 3 N 4 labeled with antibody Ab 2 . The recognition scaffold was assembled as follows: the capture unit was first fixed onto the magnetic electrode surface; the target CEA was then captured; followed by further hybridized with the detection unit; ultimately forming the Faradaycage biosensor structure. In this configuration, the signal unit became part of the electrode surface, enabling all electrochemiluminophores in the signal unit to participate in the electrode reaction, thereby significantly enhancing the detection sensitivity. Utilizing the proposed Faraday-cage cascade, the ECL intensity increased with the rising CEA concentration. The linear range was from 0.01 to 100 ng/mL, with a detection limit of 0.35 pg/mL. The sensor was validated for its selectivity, stability, reproducibility, precision, and application potential. This Faraday cage-type ECL biosensor shows promising prospects for clinical CEA detection.

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Journal of Materials Research and Technology-JMR&T · 2025 · IF 6.6

Fluoroalkyl silane cross-linked Mg(HCOO)0·4(OH)1.6 superhydrophobic coating on magnesium alloys with a high corrosion-resistance

Zhenyu He,Chi Zhang,Xiaomeng She,Zhuanfei Liu,Zhaoyong Zou,Song Zhang,Hongwei Liu,Jian Peng,Rong Tu

The low corrosion resistance of magnesium alloys directly limits their applications in natural environments. In this work, a superhydrophobic and corrosion-resistant coating was prepared on AZ31 magnesium alloys using a combination of a sodium formate hydrothermal reaction and fluoroalkyl silane cross-linking. The hydrothermal treatment successfully generates a corrosion-resistant Mg(HCOO) 0·4 (OH) 1.6 coating on the magnesium alloy surface, which exhibits a multi-scale microstructure, such as nanoscale stacking and microscale nanoflowers. The low surface energy modification of this micro-nano rough surface with fluoroalkyl silane imparted superhydrophobic properties. The coating has a corrosion inhibition efficiency of 99.999 % based on the lowest corrosion current density, i.e.,1.23 × 10 −9  Acm −2 . Furthermore, the superhydrophobic coating maintains good corrosion resistance even after 30-day immersion in simulated seawater. The low frequency impedance remains 10 5  Ωcm 2 during the growth cycle of A. niger . The static contact angle of the coating is 151.4°, attributed to the high-density –CF 2 - and –CF 3 groups on the surface. This work provides new insights into the preparation of superhydrophobic coatings on AZ31 magnesium alloys to significantly enhance their corrosion resistance.

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Theranostics · 2019 · IF 8.063

Functionalization of SF/HAP Scaffold with GO-PEI-miRNA inhibitor Complexes to Enhance Bone Regeneration through Activating Transcription Factor 4

Lingling Ou,Yong Lan,Zhiqiang Feng,Longbao Feng,Junjie Yang,Yu Liu,Liming Bian,Jiali Tan,Renfa Lai,Rui Guo

Evidence indicates that microRNAs (miRNAs) play vital roles in regulating osteogenic differentiation and bone formation. Methods : Here, we show that a polyethyleneimine (PEI)-functionalized graphene oxide (GO) complex efficiently loaded with the miR-214 inhibitor is assembled into silk fibroin/hydroxyapatite (SF/HAP) scaffolds that spatially control the release of the miR-214 inhibitor. Results : SF/HAP/GO scaffolds with nanosized GO show high mechanical strength, and their hierarchical microporous structures promote cell adhesion and growth. The SF/HAP/GO-PEI scaffolds loaded with mir-214 inhibitor (SF/HAP/GPM) were tested for their ability to enhance osteogenic differentiation by inhibiting the expression of miR-214 while inversely increasing the expression of activating transcription factor 4 (ATF4) and activating the Akt and ERK1/2 signaling pathways in mouse osteoblastic cells (MC3T3-E1) in vitro . Similarly, the scaffolds activated the osteoblastic activity of endogenous osteoblast cells to repair critical-sized bone defects in rats without the need for loading osteoblast cells. Conclusion : This technology is used to increase osteogenic differentiation and mineralized bone formation in bone defects, which helps to achieve cell-free scaffold-based miRNA-inhibitor therapy for bone tissue engineering.

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PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION · 2021 ·Vol. 38 ·期 4 ·2000333 · IF 3.31

Targeted and Specific Modification with 4-Carboxybenzeneboronic Acid and TPGS of Fluorescent Gold Nanoparticles and the Enhanced Antitumor Activity Research

Qiaoqiao Zhou,Shaochen Wang,Peng Hu,Shuling Yu,Jiahua Shi,Jintao Yuan

A targeting and specific fluorescent gold nanoparticle is prepared for tracing of drug and effective treatment of cancers. First, 4-carboxybenzeneboronic acid (CBPA) and D-α-tocopheryl polyethylene glycol 1000 succinate (TPGS) are used to modify cyclodextrins (CDs), then modified cyclodextrins and polyethylene glycol (PEG) are used to stabilize gold nanoclusters to prepare fluorescent gold nanoparticles (AuNCs@CD-TPGS-CBPA/PEG). CBPA has targeting and TPGS can induce apoptosis, therefore, AuNCs@CD-TPGS-CBPA/PEG has targeting and certain anti-tumor activity. The structure and morphology of the nanomaterial are characterized by using nuclear magnetic resonance (NMR) spectroscopy and transmission electron microscope (TEM). Paclitaxel (PTX) is loaded into the hydrophobic cavity of CDs to form targeting specific drug-loaded fluorescent gold nanoparticles (AuNCs@CD-TPGS-CBPA/PEG/PTX). Biological performances of AuNCs@CD-TPGS-CBPA/PEG are studied by in vitro and in vivo experiments. In vitro test results confirm that AuNCs@CD-TPGS-CBPA/PEG could be internalized by tumor cells, and effectively against tumor cells, but it is biocompatible to normal cells. In vivo experiments prove that AuNCs@CD-TPGS-CBPA/PEG has excellent targeting, biocompatibility, and enhanced antitumor capability, could enrich and stay for a long time in the tumor regions, effectively prolong the lifetime of tumor-bearing mice. Therefore, this work provides an insight into the development of fluorescent gold nanomaterials for practical biomedical application.

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Scientific Reports · 2020 ·Vol. 10 ·期 1 ·1-11 · IF 3.998

Metabolomics Reveals that Cysteine Metabolism Plays a Role in Celastrol-Induced Mitochondrial Apoptosis in HL-60 and NB-4 Cells

Chen Minjian,Yang Jing,Li Lei,Hu Yanhui,Lu Xiaomei,Sun Rongli,Wang Yubang,Wang Xinru,Zhang Xiaoling

Recently, celastrol has shown great potential for inducing apoptosis in acute myeloid leukemia cells, especially acute promyelocytic leukaemia cells. However, the mechanism is poorly understood. Metabolomics provides an overall understanding of metabolic mechanisms to illustrate celastrol's mechanism of action. We treated both nude mice bearing HL-60 cell xenografts in vivo and HL-60 cells as well as NB-4 cells in vitro with celastrol. Ultra-performance liquid chromatography coupled with mass spectrometry was used for metabolomics analysis of HL-60 cells in vivo and for targeted L-cysteine analysis in HL-60 and NB-4 cells in vitro . Flow cytometric analysis was performed to assess mitochondrial membrane potential, reactive oxygen species and apoptosis. Western blotting was conducted to detect the p53, Bax, cleaved caspase 9 and cleaved caspase 3 proteins. Celastrol inhibited tumour growth, induced apoptosis, and upregulated pro-apoptotic proteins in the xenograft tumour mouse model. Metabolomics showed that cysteine metabolism was the key metabolic alteration after celastrol treatment in HL-60 cells in vivo . Celastrol decreased L-cysteine in HL-60 cells. Acetylcysteine supplementation reversed reactive oxygen species accumulation and apoptosis induced by celastrol and reversed the dramatic decrease in the mitochondrial membrane potential and upregulation of pro-apoptotic proteins in HL-60 cells. In NB-4 cells, celastrol decreased L-cysteine, and acetylcysteine reversed celastrol-induced reactive oxygen species accumulation and apoptosis. We are the first to identify the involvement of a cysteine metabolism/reactive oxygen species/p53/Bax/caspase 9/caspase 3 pathway in celastrol-triggered mitochondrial apoptosis in HL-60 and NB-4 cells, providing a novel underlying mechanism through which celastrol could be used to treat acute myeloid leukaemia, especially acute promyelocytic leukaemia.

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