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INORGANICA CHIMICA ACTA · 2024 · IF 2.7

Synthesis, characterization, crystal structures and biological activity of 4-chloro-2-(2-hydroxy-3-ethoxybenzylideneamino)phenol and complexes

Zhengwei Wu,Jiawen Bao,Hongyang Zhang,Wanlin Wei,Boyang Zheng,Yingying Luo,Zhonglu You

Molecular nanoclusters comprising a heterometallic 3 d -4 f stoichiometry are an interesting class of compounds. In this paper, a chloro-containing Schiff base 4-chloro-2-(2-hydroxy-3-ethoxybenzylideneamino)phenol (H 2 L) was prepared by condensation reaction of 3-ethoxysalicylaldehyde with 2-amino-4-chlorophenol in methanol. The Schiff base is predisposed to chelate within a cluster core both 3 d and 4 f metal ions. Reaction of H 2 L with nickel salts afforded a tetranuclear Ni II complex [Ni 4 L 4 (MeOH) 4 ] ( 1 ), while with nickel salts and lanthanide(III) nitrate three tetranuclear Ni II -Ln III complexes [Ni 2 Eu 2 L 4 (NO 3 ) 2 (DMF) 2 ] ( 2 ), [Ni 2 Er 2 L 4 (NO 3 ) 2 (DMF) 2 ] ( 3 ), [Ni 2 Tb 2 L 4 (CH 3 COO) 2 (DMF) 2 ]·4DMF ( 4 ) were obtained. H 2 L and the complexes have been characterized by elemental analysis, IR, UV–Vis spectra. H 2 L has also been characterized by 1 H and 13 C NMR spectra. Molecular structures of the compounds have been determined by single crystal X-ray determination. In the complexes, the Schiff base ligands coordinate to the metal atoms via ether oxygen, imino nitrogen and two phenolate oxygen atoms. All the Ni atoms in the complexes are in octahedral coordination. The rare earth metal atoms are eight coordinated by the phenolate and ether oxygen of the Schiff base ligands, and anionic and solvent oxygen atoms, forming square antiprismatic coordination. The compounds were evaluated for their antibacterial activities on Bacillus subtilis , Staphylococcus aureus , Escherichia coli and Pseudomonas fluorescens , and antifungal activities on Candida albicans and Aspergillus niger , and gave interesting results.

CAS / MDL: 7601-90-3
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Small · 2024 · IF 13

Stabilization of LiCoO2 Cathodes in High Voltage Lithium Metal Batteries Through 2-(Trifluoromethyl)Benzamide (2-TFMBA) Electrolyte Additives

Jinyang Li,Jiajun Wang,He Huang,Meng Gao,Xingkai Wang,Qiujiang Dong,Wanxing Zhang,Shiyu Zhang,Hao Guo,Xiaopeng Han,Wenbin Hu

Increasing the charging cutoff voltage of LiCoO 2 to 4.6 V is significant for enhancing battery density. However, the practical application of Li‖LiCoO 2 batteries with a 4.6 V cutoff voltage faces significant impediments due to the detrimental changes under high voltage. This study presents a novel bifunctional electrolyte additive, 2-(trifluoromethyl)benzamide (2-TFMBA), which is employed to establish a stable and dense cathode–electrolyte interface (CEI). Characterization results reveal that an optimized CEI is achieved through the synergistic effects of the amide groups and trifluoromethyl groups within 2-TFMBA. The resulting CEI not only enhances the structural stability of LiCoO 2 but also serves as a high-speed lithium-ion conduction channel, which expedites the insertion and extraction of lithium ions. The Li‖LiCoO 2 batteries with 0.5 wt% 2-TFMBA achieves an 84.7% capacity retention rate after enduring 300 cycles at a current rate of 1 C, under a cut-off voltage of 4.6 V. This study provides valuable strategic insights into the stabilization of cathode materials in high-voltage batteries.

CAS / MDL: 12190-79-3
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TALANTA · 2014 · IF 3.511

Development of a V-shape bis(tetraoxacalix[2]arene[2]triazine) stationary phase for High performance liquid chromatography

Kai Hu,Suxiang Feng,Mingxia Wu,Shuang Wang,Wenjie Zhao,Qiong Jiang,Ajuan Yu,Shusheng Zhang

A new stationary phase for high-performance liquid chromatography was prepared by covalently bonding a V-shape cage heteroatom-bridged calixarene onto silica gel using 3-aminopropyltriethoxysilane as coupling reagent. The structure of the new material was characterized by infrared spectroscopy , elemental analysis and thermogravimetric analysis . Linear solvation energy relationship method was successfully employed to evaluate the new phase with a set of 34 solutes. The retention characteristic of the new phase shows significant similarities with ODS, as well as distinctive features. Multiple mechanisms including hydrophobic, hydrogen bonding , π–π and n–π interaction are involved. The chromatographic behavior of the phase was illustrated by using alkylbenzenes , aromatics positional isomers and flavonoids as probes. Moreover, inorganic anions were individually separated in anion-exchange mode by using the same column. Thus, multi-interaction mechanisms and mixed-mode separation of the new phase can very likely guarantee its excellent chromatographic performance for the analysis of complex samples. The column has been successfully employed for the analysis of clenbuterol in animal urine, and it is demonstrated to be suitable and a competitive alternative analytical method for the determination of clenbuterol.

CAS / MDL: 13822-56-5
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Drug Metabolism and Pharmacokinetics · 2019 · IF 1.874

Studies on the L-2-hydroxy-acid oxidase 2 catalyzed metabolism of S-mandelic acid and its analogues

Yang Zhang,Chen Su,Jinxiu Lei,Lu Chen,Haihong Hu,Su Zeng,Lushan Yu

Mandelic acid (MA) is generally used as a biomarker of the exposure of styrene , which is classified as a class of hazardous environmental pollutants, and also used as an important chiral intermediate in pharmaceutical industry. The previous studies have found the excretion of phenylglyoxylic acid (PGA) in human and rat, a metabolite of MA, was mainly from S- MA rather than R -MA. The metabolic mechanism, however, is not clear. In order to explore the possible metabolic mechanism, the enzyme types involved in the stereoselectivity metabolism of MA were firstly studied, and then human and rat long-chain 2-hydroxy-acid oxidase 2 (HAO2) were recombinantly expressed to study the metabolic profiles of S- MA and its analogues. The results indicated that HAO2 might catalyze the stereoselectivity metabolism of S- MA in rats. Human HAO2 ( h HAO2) and rat HAO2 ( r HAO2) isozymes β 1 and β 2 were successfully cloned and expressed with high purity and good enzyme activities. The enzyme kinetic profiles of these enzymes were different for S- MA and analogues. The order of catalytic efficiency for h HAO2 and r HAO2, however, was reverse. It might be relevance to the difference in active amino acid residues and loop 4 in human and rat L-2-hydroxy acid oxidase isozyme B crystal structures.

CAS / MDL: 156-06-9 956-48-9
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Synthetic and Systems Biotechnology · 2025 · IF 4.4

Efficient whole-cell biocatalytic synthesis of 2′-deoxy-2′-fluoroadenosine, a key building block for nucleic acid drugs

Dandan Feng,Tianshu Zhang,Guan Zhou,Yanli Cao,Quan Luo,Huifang Xu,Xuefeng Lu

2′-Deoxy-2′-fluoroadenosine (2′-F-dA) is a nucleoside analogue used as a key building block for oligonucleotide drugs. It can be biosynthesized from a low-cost 2′-deoxy-2′-fluorouridine via one-pot transglycosylation catalyzed by a thymidine phosphorylase (TP) and a purine nucleoside phosphorylase (PNP). However, reliance on purified enzymes and low space-time yields present challenges for industrial application of the process. Here, we develop a whole-cell-based biocatalytic system employing TP and PNP from Escherichia coli , which demonstrates high catalytic efficiency and operational simplicity in scaled-up reaction. In particular, a thermal pretreatment of TP- and PNP-expressing whole cells, determined as 50 °C for 3 h, effectively suppressed endogenous deamination side reaction while enhancing 2′-F-dA yield. Subsequent optimization of enzyme and substrate loadings and their relative ratios achieved an unprecedented space-time yield of 1.22 g/L/h with 88.1 g/L product titer in a 500 mL scaled-up reaction, manifesting a highest total conversion of 68.2 %. An integrated purification process yielded gram-scale solid powder of 2′-F-dA with 98.0 % chemical purity and 85.0 % recovery. This novel whole-cell biocatalytic process demonstrates significant industrial potential for the production of 2′-F-dA.

CAS / MDL: 123021-85-2
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JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH · 2025 · IF 1.3

Synthesis and biological activity of the marine-derived leonurine analogue N-(4-guanidinobutyl)-2-(4-hydroxyphenyl)-2-oxoacetamide

Ning Li,Xing-Long Dai,Gui-Xin Xiong,Wan-Li Meng,Jie Hao,Jie-Jie Hao

N-(4-Guanidinobutyl)-2-(4-hydroxyphenyl)-2-oxoacetamide (C1), a marine-derived leonurine analogue, was synthesized via a six-step route with 38% total yield. Biological evaluation demonstrated potent anticoagulant activity through significant prolongation of APTT (20 mM) and PT (5 mM). C1 dose-dependently (100–200 μM) suppressed LPS-induced NO production in RAW 264.7 macrophages without cytotoxicity and modulated phagocytosis. In LPS-induced acute lung injury rats, C1 reduced proinflammatory cytokines in BALF. These findings highlight C1’s dual anticoagulant and anti-inflammatory properties as a promising lead compound.

CAS / MDL: 7786-30-3
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Frontiers of Materials Science · 2015 ·Vol. 9 ·期 1 ·38-50 · IF 1

In vitro and in vivo evaluation of bone morphogenetic protein-2 (BMP-2) immobilized collagen-coated polyetheretherketone (PEEK)

Du Ya-Wei,Zhang Li-Nan,Ye Xin,Nie He-Min,Hou Zeng-Tao,Zeng Teng-Hui,Yan Guo-Ping,Shang Peng

Polyetheretherketone (PEEK) is regarded as one of the most potential candidates of biomaterials in spinal implant applications. However, as a bioinert material, PEEK plays a limited role in osteoconduction and osseointegration. In this study, recombinant human bone morphogenetic protein-2 (rhBMP-2) was immobilized onto the surface of collagen-coated PEEK in order to prepare a multi-functional material. After adsorbed onto the PEEK surface by hydrophobic interaction, collagen was cross-linked with N-(3-dimethylaminopropyl)-N′-ethyl carbodiimide hydrochloride (EDC) and N-hydroxysuccinimide (NHS). EDC/NHS system also contributed to the immobilization of rhBMP-2. Water contact angle tests, XPS and SEM clearly demonstrated the surface changes. ELISA tests quantified the amount of rhBMP-2 immobilized and the release over a period of 30 d. In vitro evaluation proved that the osteogenesis differentiation rate was higher when cells were cultured on modified PEEK discs than on regular ones. In vivo tests were conducted and positive changes of major parameters were presented. This report demonstrates that the rhBMP-2 immobilized method for PEEK modification increase bioactivity in vitro and in vivo , suggesting its practicability in orthopedic and spinal clinical applications.

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ACS Omega · 2023 · IF 4.1

Synthesis and Characterization of a Resin/Acrylamide-2-acrylamide-2-methylpropane Sulfonate-Diallyl Dimethyl Ammonium Chloride-N-vinyl-2-pyrrolidinone Polymer Microcapsule Gelling Agent for Oil and Gas Field Transformation

Yunfeng Liu,Lang Zhou,Yongfan Tang,Qiang Liu,Wei Li,Yan Zhang

Deep carbonate rock oil and gas reservoir is an important support for increasing oil and gas storage and production at present. The environment of ultradeep and ultrahigh-temperature reservoirs has put forward higher technical requirements for reservoir modification acid technology. Moreover, gelling acid is the main acid solution for high-temperature reservoir acidizing transformation, with a temperature resistance of no more than 180 °C, and the gelling agent is one of the key factors restricting its high-temperature resistance performance. In this paper, AM, AMPS, DMDAAC, and NVP were used as monomers, oxidants, and reducing agents to prepare a high-temperature-resistant polymer gel through polymerization. At the same time, microcapsules were prepared by in situ polymerization using epoxy resin as the wall material. The indoor performance evaluation results indicate that the gelling agent is easily soluble in high-concentration acid solution and has good viscosity increasing effect. At 180 °C and 170 s–1 shear rate, 0.8% mass fraction of the gelling agent was dissolved in 20% mass fraction of hydrochloric acid. After shearing for 60 min, the viscosity remained at about 22.45 mPa·s, demonstrating good temperature resistance and shear resistance, and its performance was superior to existing commonly used gelling agent products.

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POLYHEDRON · 2022 · IF 2.975

Synthesis, structure and oxygen reduction reaction activity of a Ni-containing tartratoborate Na[Ni(py)2]2·[(C4H2O6)2B]·H2O (py = pyridine) and a copper complex borate [Cu(H2O)2(1-EI)4]·[B5O6(OH)4]2·H2O (1-EI = 1-ethylimidazole)

Yan-Ling Deng,Wei Li,Chun-Yang Pan

Two new metal hybrid borates , Na[Ni(py) 2 ] 2 ·[(C 4 H 2 O 6 ) 2 B]·H 2 O (py = pyridine) ( 1 ) and [Cu(H 2 O) 2 (1-EI) 4 ]·[B 5 O 6 (OH) 4 ] 2 ·H 2 O (1-EI = 1-ethylimidazole) ( 2 ), have been successfully synthesized. 1 features an interesting structure based on mixed borate-tartrate motifs. Two tartrate anions are condensed with one BO 4 to form the hybrid anionic group [(C 4 H 2 O 6 ) 2 B] 5− . The structure of 2 is composed of [B 5 O 6 (OH) 4 ] − clusters and [Cu(H 2 O) 2 (1-EI) 4 ] 2+ complexes, which exhibits hydrogen-bonded network formed by [B 5 O 6 (OH) 4 ] − clusters. These compounds are further confirmed by FTIR, PXRD and UV–vis. In addition, the catalyst prepared from 2 shows excellent electrocatalytic oxygen reduction reaction (ORR) activity.

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Inorganic Chemistry Frontiers · 2020 ·Vol. 7 ·期 18 ·3482-3490 · IF 5.958

Syntheses, structures and characterization of non-centrosymmetric Rb2Zn3(P2O7)2 and centrosymmetric Cs2M3(P2O7)2 (M = Zn and Mg)

Zhongfu Song,Hongwei Yu,Hongping Wu,Zhanggui Hu,Jiyang Wang,Yicheng Wu

Three phosphates Rb2Zn3(P2O7)2 and Cs2M3(P2O7)2 (M = Zn and Mg) were successfully synthesized by a high-temperature solution method. Their structures were determined by single-crystal X-ray diffraction, which shows that the three structures all display three-dimensional [M3P4O20]14− (M = Zn and Mg) frameworks composed of isolated P2O7 dimers and MO4 (M = Zn and Mg) tetrahedra with Rb+/Cs+ cations located in the space of the frameworks to balance charges. But owing to the cationic size effect, they are not iso-structural. Rb2Zn3(P2O7)2 crystallizes in the non-centrosymmetric P21 space group, whereas Cs2M3(P2O7)2 (M = Zn and Mg) crystallize in the centrosymmetric P21/c space group. And Rb2Zn3(P2O7)2 exhibits a second harmonic generation (SHG) response as large as that of KH2PO4 (KDP). Combining electronic structure and SHG density calculations, we studied the effects of ZnO4 tetrahedra on the SHG response of Rb2Zn3(P2O7)2. Furthermore, a structural comparison is also carried out in Rb2Zn3(P2O7)2 and Cs2M3(P2O7)2 (M = Zn and Mg).

研究领域: 材料科学 · 晶体学
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INORGANIC CHEMISTRY · 2022 · IF 5.436

HgTeO2F(OH): A Nonlinear Optical Oxyfluoride Constructed of Active [TeO2F(OH)]2– Pyramids and V-Shaped [HgO2]2– Groups

Ru-Ling Tang,Mei Yan,Wen-Dong Yao,Wenlong Liu,Sheng-Ping Guo

Oxyhalides possessing the merits of oxides and halides have widely received attention for their comprehensive physical performances, especially as potential nonlinear optical (NLO) crystals. Here, based on conventional strategy for obtaining acentric compounds, a Te4+ lone-pair cation was introduced into oxyhalides, and one oxyfluoride, HgTeO2F(OH), was obtained via a hydrothermal reaction. Crystallized in the polar space group Pca21, the layered structure of HgTeO2F(OH) is composed of V-shaped [HgO2]2– groups and [TeO2F(OH)]2– pyramids, in which the [TeO2F(OH)]2– pyramid first served as the NLO functional motif. Its powder sample exhibits a phase-matchable SHG response of 1.1 × KH2PO4 at 1064 nm, and its birefringence (0.09@1064 nm) is sufficient for phase-matchable behavior, which manifests its comprehensive capacity as a promising NLO candidate. Theoretical calculations about electronic structure and optical properties are also carried out, revealing that the Te4+ lone-pair cation makes the predominant contribution to the SHG effect and synergizes with the [HgO2]2– groups.

研究领域: 材料科学 · 无机化学 · 非线性光学 · 晶体设计
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Journal of Food Measurement and Characterization · 2026 · IF 3.6

2, 2’-Diselanediyldiethylamine-modified hyaluronic acid/dialdehyde chitosan injectable hydrogel: design, fabrication and fresh-keeping application for postharvest grapes

Yang Xue,Jiang Shasha,Ren Tong,Zhuo Meng,Hou Yanwei,Su Yingyu,Hou Xueyan,Yan Huijuan

Fruit preservation and shelf life extension rely heavily on effective materials, but current methods often fail to combine key functions like antibacterial protection and freshness retention. This study aims to develop a multifunctional hydrogel to address the existing challenges in grape preservation. The hydrogel, termed as CS- se -HA gel , was fabricated via Schiff base reactions between dialdehyde chitosan (DACS) and 2,2’-diselanediyldiethanamine (DD)-conjugated hyaluronic acid (DDHA) polymers. Studies found that CS- se -HA gel possessed an outstanding swelling ratio, low cytotoxicity, good water retention, and excellent mechanical properties. Besides, it also showed potent antibacterial activity, which prevented the treated grapes from rotting and wrinkling. Significantly, CS- se -HA gel also decreased water loss from grapes and maintained their total soluble solid (TSS) and pH stability, prolonging the shelf life of harvested grapes at ambient temperature. Therefore, it could be speculated that CS- se -HA gel has potential applications for fruit preservation in the food industry.

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