VIBRATIONAL SPECTROSCOPY
·
2022
·
IF 2.382
Zhiqiang Wang,Siqi Duan,Bin Fang,Zhenxiang Liu,Ruiting Zhang,Lin Ma,Ke Lin
Identifying the molecular structures of drugs are important for understanding the molecular interactions between drugs and proteins. Especially in situ measurement of drug structures that interact with proteins in aqueous solutions or cells is a challenge. In this work, mandelic acid (MA) was used as a model molecule to prove that the Raman spectra in the C-H or C-D stretching region can be employed to identify the molecular structure through theoretical and experimental Raman spectra and molecular dynamics simulations methods. Using the experimental and theoretical Raman spectra of MA rotamers, C α -H was determined to be trans (higher than 2950 cm −1 ) and nontrans (below 2950 cm −1 ) from the α-OH group for solid DL-MA (~2961 cm −1 ) and D -MA (~2898 cm −1 ), respectively, which agreed well with the results from X-ray diffraction. Molecular dynamic (MD) simulations and Raman band of the MA aqueous solution revealed that the C α -H group was determined to be nontrans from the α-OH group, the structure of the carboxyl group was cis (~2910 cm −1 ), the carboxyl group was roughly vertical to the C α -benzene bond, and the benzene ring was approximately coplanar with the C α -H bond. Our work also paves that the Raman spectra in the C-D or C-H stretching region could be used as fingerprint regions to study the structure of drugs.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2022
·
IF 5.895
Ziyan Wang,Heping Cui,Mengyu Ma,Khizar Hayat,Xiaoming Zhang,Chi-Tang Ho
The effect of ellagic acid on the formation of pyrazine, methylpyrazine, 2,3-methylpyrazine, 2,6-methylpyrazine, 2,5-methylpyrazine, and trimethylpyrazine in the xylose–glycine Maillard reaction model was researched. Ellagic acid could either inhibit or promote pyrazine formation, depending on its addition time point and the pH of the system. The addition of ellagic acid during the accumulation period of an Amadori compound inhibited pyrazine formation by capturing the Amadori compound in the xylose–glycine Maillard system and decreasing the pyrazine precursors. The inhibitory effect of ellagic acid on pyrazine formation got more obvious with an increase in the pH of the system. However, when ellagic acid was added at the beginning of the xylose and glycine Maillard system and when the oxidizing substances such as glyoxal and methylglyoxal were significantly formed in the Maillard system, its oxidation could promote the formation of pyrazines.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
POLYMER DEGRADATION AND STABILITY
·
2023
·
IF 5.9
Nouman Ali Shah,Rui Hong,Xue Yang,Shi-Shu Huang,Rizwan M. Gul,Yuwei Liu,Lingli Li,Jia-Zhuang Xu,Ka Li,Zhong-Ming Li
Maintaining reliability remains a great challenge for ultrahigh molecular weight polyethylene (UHMWPE) bearings due to oxidation in biological environments. This work aimed at inspecting the efficacy of the hybrid antioxidant strategy in stabilizing crosslinked UHMWPE under an in vitro clinically relevant accelerated aging condition. The hybrid antioxidant system was composed of vitamin E (VE) and D-sorbitol (DS) as primary and secondary antioxidants, respectively. The already established in vitro clinically relevant accelerated aging was performed via squalene absorption and subsequent thermal oxidation treatment. Compared to the use of VE alone, the combination of VE and DS significantly protracted the oxidation induction time of UHMWPE with no apparent oxidation after aging, showing a notable synergistic effect on the oxidative stability of UHMWPE. The crosslink density was higher for VE/DS/UHMWPE than VE/UHMWPE at each aging period. It revealed that the hybrid antioxidant strategy settled the longstanding contradiction between oxidation stability and crosslinking of UHMWPE. Attributed to improved oxidation stability, there was a positive reversal in the tensile property between VE/DS/UHMWPE and VE/UHMWPE after aging, where comparable ultimate tensile strength and higher elongation at break were observed. These findings underline the high potential of the hybrid antioxidant strategy for developing artificial joint materials with desired ability to resist oxidation and balanced performance.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
·
2026
·
IF 10.6
Yaxin Zheng,Zexiu An,Weihua Liu,Minghua Wang,Yichun Ren,Dongchen Yang,Wei Gao,Ningzhao Shang,Jinlin Zhang,Chun Wang,Shutao Gao
Nitrogen vacancy incorporation into Co 4 N-600 upshifts the D-band center and facilitates the generation of Co IV =O. • The Co 4 N-600/PMS system yields a modified kinetic rate constant of 300.6 min⁻ 1 M⁻ 1 . • Rapid degradation of different types of pollutants within Co 4 N-600/PMS system. High‑valent cobalt-oxo species (Co IV =O) have been demonstrated to exhibit efficient degradation capability toward emerging contaminants (ECs). However, the 3d 7 electronic configuration of Co(II) sites in Co‑based catalysts severely restricts their binding affinity to the terminal oxygen of peroxymonosulfate (PMS), which is unfavorable for the generation of Co IV =O. Herein, we report a nitrogen vacancy (Nv)‑rich cobalt nitride nanozyme Co 4 N-600. The introduction of Nv markedly reduces the d‑electron occupancy of Co, upshifts the d‑band center, and promotes the formation efficiency of Co IV =O. Remarkably, employing 150 mg L −1 peroxymonosulfate (PMS) as the oxidant, the Co 4 N-600 nanozyme achieves complete degradation of 10 mg L −1 imidacloprid within 10 min at an ultralow catalyst loading of 1 mg L −1 , yielding an excellent modified kinetic rate constant of 300.6 min −1 M −1 . These findings establish d -band center engineering as an effective strategy for boosting the catalytic performance of nanozymes by promoting the generation of high-valent metal-oxo (HVMO) species. Download: Download high-res image (179KB) Download: Download full-size image
✓ 已验证
DOI
PubMed
高影响因子
POLYMER
·
2021
·
IF 4.43
Wenze Li,Mengyao Wang,Huan Luo,Yanhua Niu,Yajiang Huang,Guangxian Li
A high molecular weight (H M w ) PLLA has been blended with a low molecular weight (L M w ) PDLA and its two types diblock copolymers (PEG- b -PDLA and PDMS- b -PDLA), respectively, to investigate the stereocomplex (sc) and homochiral (hc) crystallization behaviors . The miscible PEG and immiscible PDMS segments with comparable molecular weight were introduced into PDLA by bulk ring-opening polymerization method. Compared to PLLA/PDLA, the introduction of both sequences could inhibit the crystallization kinetics of sc and hc crystallites of the blends due to the dilution effect of L M w segments. The formation of sc crystallites is prior to its hc counterparts. The shorter induction period of hc crystallites of PLLA/PEG-b-PDLA blend indicates that the miscible PEG segments could promote the mobility of PLLA chains. Due to the involving of PEG chains, the spherulite exhibits coarsen and irregular texture and its lamellae show sparse string-like structure. The microphase separation between PLA and PDMS segments as evidenced by SAXS results in the increased sc nuclei and different growth mode of hc crystallites. The phase separated microdomains weakened the competition between sc and hc crystallites, and the former acts as a template for repeated assembly of the latter. X-ray analysis also reveal that sc crystallites possess much thicker lamellar thickness than hc crystallites in PLLA/PDLA and PLLA/PEG-b-PDLA blends.
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2020
·
IF 4.244
Wenxiu Jiang,Xuejun Yu,Yuan Hui,Bowei Shen,Zhang Farong,Zhiquan Pan,Hong Zhou
Diosgenin is an important intermediate of steroid hormone drugs, green production of diosgenin with high yield is a key research issue. In this study, a convenient, efficient, and eco-friendly approach was developed to produce diosgenin from saponins in D. zingiberensis C. H. Wright (Curcuma longa L) using a magnetic solid acid. Fe 3 O 4 @SiO 2 -Pr-S-SO 3 H is a heterogeneous catalyst and was obtained by loading 3-(mercaptopropyl) trimethoxysilane on the surface of Fe 3 O 4 @SiO 2 , followed by sulfonation with chlorosulfonic acid. The magnetic solid acid catalyst was fully characterized by Fourier Transform-Infrared (FT-IR) spectra, thermo gravimetric analysis (TGA), X-ray diffraction (XRD), vibrating sample magnetometer (VSM), and X-ray photoelectron spectroscopy (XPS), scanning electron microscope(SEM), transmission electron microscope (TEM), NH 3 -TPD, elemental mapping analysis. The effects of single factors, such as the solid acid mass, alcoholysis temperature, extraction time, and solvent volume on the diosgenin yield were analyzed. The extraction parameters for diosgenin were optimized by response surface methodology (RSM). The optimized values for the solid acid mass, solvent volume, extraction time, and temperature were 0.22 g, 7.8 mL, 7.4 h, and 100 °C, respectively. Under the optimized conditions, the maximum yield of diosgenin was 19.15 %. The solid acid reported in this work exhibited higher catalytic activity at a smaller dosage than traditional sulfuric acid and other solid acids. The alcoholysis products were identified by high-performance liquid chromatography-mass spectrometry (HPLC-MS). Alcoholysis catalysed by an as-prepared magnetic solid acid is clearly superior in terms of catalytic activity, dosage, and reusability. It is a promising strategy for the green production of diosgenin.
✓ 已验证
产品关联
DOI
高影响因子
Advanced Energy Materials
·
2020
·Vol. 10
·期 45
·2002499
·
IF 25.245
Yunzhen Wu,Panlong Zhai,Shuyan Cao,Zhuwei Li,Bo Zhang,Yanting Zhang,Xiaowa Nie,Licheng Sun,Jungang Hou
Electrochemical CO 2 reduction is regarded as a promising strategy for the sustainable conversion of greenhouse gas. However, it still remains a significant challenge to manipulate the selectivity and activity. Herein, amorphous and porous Cd modified by sulfur (P–Cd|S) is synthesized by a p-block sulfur dopant. In comparison with unmodified Cd metal, the P–Cd|S architecture exhibits superior activity for selective CO generation, indicating that the sulfur dopant enables a selectivity shift from formic acid to CO. The high selectivity of P–Cd|S is partially ascribed to the local alkalization and suppression of hydrogen evolution as indicated by the finite element analysis. In-depth mechanistic investigations by operando Raman, Infrared, and X-ray photoelectron spectroscopy in combination with theory calculations indicate that the covalently hybridized sp band system with dual collaborative sites (Cd δ + and S δ − ) gives rise to a strong interplay with CO 2 molecules and carbonaceous species, leading to the natural elimination of linear correlation among intermediates binding for d-band metals and the convenient modulation of selectivity toward CO versus HCOOH.
✓ 已验证
产品关联
DOI
高影响因子
NPG Asia Materials
·
2021
·Vol. 13
·期 1
·1-14
·
IF 10.481
Cao Bo,Hu Minghao,Cheng Yan,Jing Peng,Liu Baocang,Zhou Bo,Wang Xi,Gao Rui,Sun Xiaolei,Du Yaping,Zhang Jun
A 3D self-supported integrated electrode, consisting of heteroatomic nitrogen-doped carbon nanotube arrays on carbon cloth with confined ultrafine Co 4 N nanoparticles and a distribution of anchored single-atom Co, is fabricated via a cobalt-catalyzed growth strategy using dicyandiamide as the nitrogen and carbon source and a layered cobalt hydroxide-nitrate salt as the precursor. The abundance of exposed active sites, namely, the Co 4 N nanoparticles, single-atom Co, and heteroatomic N-doped carbon nanotubes, and multiple synergistic effects among these components provide suitable tailoring of the d -band center for facilitating vectorial electron transfer and efficient electrocatalysis. Benefiting from the merits of its structural features and electronic configuration, the prepared electrode exhibits robust performance toward the hydrogen evolution reaction with overpotentials of only 78 and 86 mV at 10 mA cm −2 in acidic and basic electrolytes, respectively. Density functional theory calculations and X-ray photoelectron spectroscopy valence band measurements reveal that the effective tailoring of the d -band center by Co 4 N nanoparticles plays a crucial role in optimizing the hydrogen adsorption free energy to a more thermoneutral value for efficient electrocatalysis.
✓ 已验证
产品关联
DOI
高影响因子
Nanoscale
·
2020
·Vol. 12
·期 8
·4959-4967
·
IF 6.895
Ye Lu,Min Wei,Chenchen Wang,Wei Wei,Yong Liu
Organophosphorus pesticides (OPs) are harmful to people's health and D-amino acids (D-AAs) in the human body are closely related to various diseases. So, detection of OPs in foods and D-AAs in serum is important for food safety and clinical diagnosis. Herein, a long-lasting chemiluminescence (CL) imaging sensor was constructed for the detection of OPs and D-AAs. The method was based on N-(4-aminobutyl)-N-ethylisoluminol/Co2+/chitosan (ABEI/Co2+/CS) hydrogels, where metal organic framework materials (MOF-Pt) were selected as catalysts to improve the sensitivity greatly. Under the catalysis of acetylcholinesterase (AChE) and choline oxidase (CHO), H2O2 was produced by using acetylcholine chloride (ACh) as a substrate, which was sensitive to the proposed CL system. OPs inhibited the activity of AChE and decreased the production of H2O2, reducing CL intensity. The linear range of the method for chlorpyrifos was 0.5 ng mL−1–1.0 μg mL−1, with a limit of detection (LOD) of 0.21 ng mL−1. Seventeen kinds of OPs can be visually and simultaneously discerned by the CL imager. On the other hand, D-AAs were catalyzed and oxidized by D-α-amino oxidase (DAAO) to produce H2O2. Thus, D-Ala in serum was used as a model to be detected by the proposed method. The linear range for D-Ala was 1.0 μM–10 mM, with an LOD of 0.12 μM.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Aging-US
·
2019
·
IF 5.515
Jin-Lan Huang,Chao Yu,Min Su,Si-Man Yang,Fan Zhang,Yuan-Yuan Chen,Jin-Yuan Liu,Yi-Fan Jiang,Zhen-Guo Zhong,Deng-Pan Wu
Oxidative stress plays a vital role in the initiation and progression of age-related neurodegenerative diseases. Ameliorating oxidative damage is therefore considered as a beneficial strategy for the treatment of age-related neurodegenerative disorders. Probucol (Prob), a lipid-lowering prototype agent, was reported to treat cardiovascular diseases, chronic kidney disease and diabetes mellitus. However, whether Prob has an effect on age-related neurodegenerative diseases remains unknown. In the study, it was found that Prob ameliorated D-galactose (D-gal) induced cognitive deficits and neuronal loss in the hippocampal CA1 region. Moreover, Prob alleviated ROS and MDA levels by elevating SOD, GSH-PX and HO-1 mRNA and protein expressions, and improving plasmic and cerebral SOD and GSH-PX activities in D-gal treated mice. Furthermore, Prob promoted the dissociation of Keap1/Nrf2 complex leading to the accumulation of Nrf2 in nucleus, implying that the improved anti-oxidant property of Prob is mediated by Keap1/Nrf2 pathway. The study firstly demonstrates the favorable effects of Prob against cognitive impairments in a senescent mouse model, rendering this compound a promising agent for the treatment or prevention of age-related neurodegenerative disease.
✓ 已验证
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY
·
2018
·Vol. 53
·期 8
·1992-2005
·
IF 2.383
Huifan Liu,Fan Gong,Fashan Wei,Furao Lai,Xiaoyuan Zhang,Hui Wu
Summary Four types of carbohydrates, including Dendrobium officinale polysaccharide, Dendrobium aphyllum polysaccharide and β-glucans from yeast and barley, were examined, and their structures were found to mainly contain 1,4-linked-β- d -Glc p . Artificially simulated gastrointestinal digestion was conducted to characterise the changes of molecular weight, reducing sugars and released free monosaccharides by high-performance liquid chromatography, kits and the newly developed gas chromatography (GC)-mass spectrometry (MS)/MS analysis, which indicated that high molecular weight and complex spatial structures contributed to delayed monosaccharide release following exposure to digestive solution. The spatial structures of carbohydrates were changed during gastric digestion, but their primary structures were destroyed during intestinal digestion. Additionally, for the developed 7890A/7000 GC-TQ/MS-MS, the new analytical method was successfully used to analyse very low concentrations of monosaccharides in the simulated gastrointestinal digestive system.
✓ 已验证
产品关联
DOI
高影响因子
INTERNATIONAL IMMUNOPHARMACOLOGY
·
2018
·
IF 3.118
Zheng Li,Haihua Feng,Yue Wang,Bingyu Shen,Ye Tian,Lin Wu,Qiaoling Zhang,Meiyu Jin,Guowen Liu
Rosmarinic acid (RA) has antioxidation, anticancer, antibacterial, anti-inflammatory and various biological functions. In our study, we aim to evaluate effects of RA on acute liver injury caused by LPS and d -galactosamine ( d -GalN) and its underlying molecular mechanism in mice. Our findings showed that RA could protect C57BL/6 mice from LPS/ d -GalN-induced acute liver injury, which not only reflected on declining aspartate aminotransferase (AST) and alanine aminotransferase (ALT) of the serum, but also restrained the phosphorylation of nuclear factor-kappa B (NF-κB), extracellular signal-regulated kinase (ERK1/2) and p38 protein expression and the content of tissue myeloperoxidase (MPO) elevation. Moreover, RA could enhance the level of glutathione-dependent peroxidase (GSH-PX). Furthermore, RA promoted that nuclear factor erythroid-2-related factor 2 (Nrf2) transported into nucleus, and then up-regulated heme oxygenase 1 (HO-1), glutamate-cysteine ligase catalytic (GCLC), glutamate cysteine ligase modifier (GCLM) and quinone oxidoreductase (NQO1). These results indicated that RA could protect the mice from acute liver injury induced by LPS/ d -GalN.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）