MACROMOLECULES
·
2021
·
IF 5.985
Huanhuan Yang,Shilong Wu,Quan Chen
This study focuses on the stretchability of brittle ionomers after introducing three types of hydrogen bonds, i.e., dual, triple, and quadruple hydrogen bonds. The introduction of dual or triple hydrogen bonds that are weaker than the ionic association improves the stretchability, and better improvement has been achieved for the triple hydrogen bonds. In comparison, the introduction of quadruple hydrogen bonds that are equally strong as the ionic association does not show this type of improvement. This result strongly indicates that there is an optimized strength ratio between the first (the stronger ionic) network and the secondary (the weaker hydrogen-bonding) network, i.e., the secondary network should be considerably weaker but still not too weaker than the first network. When this condition is satisfied, continuous dissociation and association of the secondary network weaken the chain retraction after the strain-induced breakup of the first network, thereby suppressing the formation of defects or microscopic cracks that potentially grow into the macroscopic fracture.
研究领域:
聚合物科学
·
材料科学
✓ 已验证
DOI
高影响因子
Pharmaceutics
·
2022
·Vol. 14
·期 10
·2158
·
IF 6.525
Degong Yang,Xuejun Chen,Ziqing Li,Chunrong Yang
Ionic liquids (ILs) have been proven to be an efficient technology for enhancing drug skin permeability. However, the question of whether the two components of ILs are released synchronously in transdermal preparations has remained unclear. Thus, this study aimed to investigate the release characteristics of two components of ILs and their underlying molecular mechanism. The ILs containing flurbiprofen (FLU) and lidocaine (LID) were synthesized and characterized. The four typical acrylates pressure sensitive adhesives (PSAs) with different functional groups were synthesized and characterized. The effects of PSAs on the release characteristics of two components of ILs were investigated by drug release tests and verified by skin permeation experiments. The action mechanisms were revealed by FTIR, Raman, dielectric spectrum, and molecular docking. The results showed that the average release amount of FLU (0.29 μmol/cm2) and LID (0.11 μmol/cm2) of ILs in the four PSAs was significantly different (p< 0.05), which illustrated that the two components did not release synchronously. The PSA−none and PSA−OH with low permittivity (7.37, 9.82) interacted with drugs mainly by dipole-dipole interactions and hydrogen bonds. The PSA−COOH and PSA−CONH2with high permittivity (11.19, 15.32) interacted with drugs mainly by ionic bonds and ionic hydrogen bonds. Thus, this study provides scientific guidance for the application of ILs in transdermal preparations.Keywords:transdermal patch;ionic liquids;release characteristics;hydrogen bond;ionic hydrogen bond
研究领域:
药剂学
·
分子生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
·
2025
·
IF 1.6
Tao Qinqin,Wang Yusheng,Chen Chuanhong,Dai Ying
This study investigates the role of hydrogen bonding in Hydrogen-Bonded Complex Extractants (HBCEs) for uranium extraction from wastewater. Through integrated experimental and theoretical approaches including electrostatic potential (ESP) analysis, molecular binding energy calculations, Atoms in Molecules (AIM) theory, and spectroscopic characterization, we reveal how structural variations (carbon chain length, unsaturation degree, spatial configuration, and functional groups) modulate hydrogen bond characteristics. Results show that extending carbon chains enhances hydrogen bond strength (TBPO-18: -24.28 kcal/mol binding energy), while increasing unsaturation initially weakens then strengthens interactions. Linear structures exhibit superior hydrogen bonding versus cyclic configurations (TBPO-OH vs TBPO-HOH: 18.60 vs 14.47 kcal/mol). Extraction performance correlates with hydrogen bond stability, where TBPO-12 achieves maximum capacity (40.55 mg/L) due to optimal acid resistance. Mechanistic studies via 31 P NMR titration confirm a two-step process: initial \({\text{UO}}_{2}^{2 + }\) complexation with TBPO’s P = O group, followed by hydrogen bond formation with HBDs. This work provides fundamental insights for rational design of high-efficiency HBCEs, highlighting hydrogen bond engineering as a key strategy for nuclear wastewater treatment.
研究领域:
核化学
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环境科学
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分离技术
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材料科学
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
GREEN CHEMISTRY
·
2016
·Vol. 18
·期 10
·3089-3097
·
IF 8.506
Yan Wang,Yucui Hou,Weize Wu,Dongdong Liu,Youan Ji,Shuhang Ren
As analogues of ionic liquids, deep eutectic solvents (DESs) have attracted considerable attention in the field of separating aromatics from aromatics/aliphatics mixtures. In this work, the performance of a series of DESs was evaluated for their selective extraction of toluene from toluene/n-heptane mixtures. The results showed that the extraction ability for toluene using DESs was greatly influenced by hydrogen bond acceptors (HBAs) and hydrogen bond donors (HBDs) which formed the DESs. The selectivity of toluene was distinctly enhanced by short side chains, a small central atom of the cation and a large anion of the HBA, together with a suitable position for an alkyl chain and appropriate functional group of the HBD. It was also found that an increase of extraction temperature at the studied range could enhance the selectivity for toluene. This work makes the roles of HBAs and HBDs clear in the extraction of aromatics, providing information for designing more effective DESs for aromatics extraction.
研究领域:
化学工程
·
分离科学
✓ 已验证
DOI
高影响因子
RSC Advances
·
2017
·Vol. 7
·期 71
·44655-44658
·
IF 3.108
Cui-Li Chen,Jiang Zeng,Ning Bao,Hong Dai,Hai-Ying Gu
Converting silicon hydride (–SiH) to oxygen backed silicon hydride (–OSiH) on porous silicon leads to a shift in the wavelength of photoluminescence (PL) maximum from 670 to 605 nm, corresponding to an increase of 0.2 eV on emission energy. The results implied that silicon hydride, which links to the surfaces of silicon nano-crystals (SiNCs) via oxygen atoms, is directly responsible for the wavelength change of the PL peak.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
APPLIED SURFACE SCIENCE
·
2019
·
IF 5.155
Xin Zhong,Wen Liang,Zhipeng Lu,Baowei Hu
In this investigation, TpPa-1 were synthesized and exploited for radionuclides ions elimination. According to Langmuir model, at pH 6.5 and 298 K, the maximum adsorption quantity of TpPa-1 were 1194.07 mg(U(VI))/g and 1107.63 mg(Eu(III))/g, respectively. The superior adsorption performance could be attributed to: (i) a great quantity of heteroatom activated sites on the pore wall could conduct as cation receptors; (ii) the forming intramolecular C N … H … O hydrogen bonding in the network of TpPa-1, which was U(VI) and Eu(III) ions adsorption sites; (iii) hydrogen bonding could adjust the electron density of the complex and abate the total charge of radionuclides. The outcomes of this work suggest that TpPa-1 is a promising adsorbent, which is appropriate to enrichment and separation radionuclides from polluted wastewater.
研究领域:
环境科学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
POLYMER
·
2021
·
IF 4.43
Jingkai Liu,Lijun Cao,Jinyue Dai,Yunyan Peng,Xiaoqing Liu
When artificially introducing an ortho -amide group into benzoxazine monomer , the conversion of polybenzoxazine (PBZ) into polybenzoxazole (PBO) could happen at higher temperature. However, the mechanism investigation for this reaction is far from enough, which is very significant for the PBO fabrication from PBZ. In this work, we designed three kinds of benzoxazines (PIC-abz, 4-MEP-abz and 6-MEP-abz) containing both pyridyl and amide group with similar structures. The existence of intramolecular N–H⋯N H-bonding involved with amide group and the N atom in pyridine ring , as well as the N–H⋯O H-bonding between the amide N–H and the O atom in oxazine ring, were confirmed by 1 H– 1 H nuclear overhauled effect spectroscopy (NOESY) and concentration dependent 1 H NMR spectra. In addition, the respective strength of these H-bonding in different precursors was calculated by non-covalent interaction (NCI) simulation. Results showed that besides the performance of resulted PBZ, the conversion temperature of PBZ into PBO was significantly influenced by the N–H⋯N hydrogen bonding involved with pyridyl and amide groups. Based on which, the mechanism of PBO formation was proposed and systematically investigated. The outcome of this work will help us to obtain PBO in a more efficient and reasonable manner starting from PBZ.
研究领域:
聚合物化学
·
材料科学
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
·
2021
·
IF 3.981
Xiangjun Shi,Chao Wang,Qifeng Chen,Shuimei Shen,Shengjie Song,Xiyue Zhou
Ibrutinib(IBR) is an irreversible Bruton's tyrosine kinase inhibitor and has been classified as the Biopharmaceutical Classification System (BCS) class Ⅱ drug. The objective of the current study was to improve the physicochemical properties of IBR by co-crystallization. Based on ΔpKa analysis and structure analysis, we reported seven IBR pharmaceutical cocrystals with different structure types of co-formers such as hydroxy-2-naphthoic acids, mono-hydroxybenzoic acids, and aliphatic acids via the slurry method and ultrasonic method. The seven prepared cocrystals were characterized by powder X-ray diffraction(PXRD), differential scanning calorimetry(DSC), thermogravimetric analysis(TGA) and Fourier transform infrared spectroscopy(FT-IR). The solubility and accumulative dissolution of IBR cocrystals were explored. It was found that the solubility and dissolution were optimally increased up to 6.64 times and 1.85 times than that of IBR Form A, respectively. Moreover, all the IBR cocrystals maintained a stable cocrystal state after 90-d under 40 °C/75% RH condition and after 30-d under 60 °C/0% RH condition. According to the results analysis, there may be hydrogen bond(H-bond) and π-π stacking interactions in the IBR cocrystal system. The current study demonstrated that the co-crystallization of IBR with specific co-formers proposed a prospective technology and optional strategy to modify the physicochemical nature of IBR.
研究领域:
药学
·
化学
✓ 已验证
DOI
高影响因子
MACROMOLECULES
·
2021
·
IF 5.985
Noy Cohen,Cong Du,Zi Liang Wu
The submersion of a polymer network with a high density of hydrogen bond based cross-links in an aqueous bath results in the formation of a rubberlike hydrogel. The cross-links, which connect chains and maintain the structure of the network, can dissociate as a result of two main factors: (1) the interactions between the hydrogen bonds and the surrounding water molecules and (2) the forces that are exerted on the cross-link from the interconnected chains. We recall that these forces depend on the ratio between the end-to-end distance and the overall contour length of the chains. The application of an external loading translates into the stretching of chains in the network and, as a consequence, an increase in the forces that are exerted. Sufficiently large external loadings can break cross-links and alter the microstructure of the network. From a macroscopic viewpoint, the breaking of cross-links leads to significant microstructural changes such as a reduction in the chain density and an entropic gain. In this work, we derive a microscopically motivated and energy-based model that captures the effects of hydration and external loadings on the overall changes in properties and mechanical response of hydrogels. We provide a systematic method to estimate the percentage of cross-links that dissociate due to hydration and application of a force and provide representative examples to highlight the influence of the orientations of the interconnected chains with respect to a cross-link. To validate the model, we carry out uniaxial tension experiments on poly(methacrylic acid) hydrogels with five different water contents and fit the model parameters. We show that the model is capable of qualitatively and quantitatively capturing the experimental results. The model is also used to approximate the number of cross-links that dissociate due to the water and the externally applied uniaxial force. This work paves the way to the efficient design of multifunctional synthetic hydrogels with programmable properties and behaviors.
研究领域:
材料科学
·
生物工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2018
·
IF 5.091
Bisang Chen,Feiming Li,Liling Zou,Dejian Chen
Hydrogen bonding interactions guided supramolecular self-assembly has been widely studied, which played important roles in the field of nanotechnology and nanodevices. Herein, an effective intermolecular hydrogen bonding mediated heating-up synthesis of high-quality fluorescent carbon dots (CDs) is developed based on hydrogen-bonding between trimesic acid and urea. Upon optimizing the hydrogen-bonding interaction, high quality of CDs with high monodispersity and stability could be obtained. Besides, these CDs could be used for sensitive and specific detection of ferric ions. The novel strategy may pave a new way in molecular engineering for the fabrication of high quality of CDs.
研究领域:
纳米技术
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIORESOURCE TECHNOLOGY
·
2024
·
IF 9.7
Pengfei Zhao,Fulong Pu,Changsheng Su,Yefan Wan,Texin Huang,Xuedan Hou,Di Cai
Deep eutectic solvents (DESs) offer a potential opportunity in biomass utilization industries. This work emphasized the impact of hydrogen bond donors (HBD) and acceptors (HBA) on deconstruction and valorization of rice straw. Acidity, alkyl chain length, hydrogen bonding ability and functional groups of HBD and HBA appeared to be important factors affecting the fractionated pulps and lignins, which further influenced ethanol fermentation. Among the candidate DESs, lactic acid/guanidine hydrochloride (LGH) was proved to be the most suitable one due to the excellent delignification and xylan removal. For the downstream fermentation process, 0.47 g g −1 of bioethanol with 0.55 g/L h −1 of productivity can be obtained from the LGH pulp’s hydrolysate. Mass balance showed 302.8 g bioethanol and 119.0 g technical lignin can be co-generated from 1 kg dried rice straw. This “green” valorization strategy offers a promising scheme in biorefinery of lignocelluloses.
研究领域:
生物技术
·
化学工程
·
可再生能源
·
可持续化学
✓ 已验证
DOI
PubMed
高影响因子
RSC Advances
·
2015
·Vol. 5
·期 42
·33083-33088
·
IF 3.84
He Liu,Chunming Xiong,Zhen Tao,Yujiao Fan,Xiaofen Tang,Haiyang Yang
Self-healing systems that can spontaneously repair their damage would significantly improve the safety and prolong the lifetime of man-made materials. As external energy or healing agents are required in most of the self-healing approaches, non-covalently cross-linked polymeric hydrogels with intrinsic healing nature have attracted much attention recently. We present here a P(AM-co-DMAPS) zwitterionic copolymer based self-healing hydrogel, where AM and DMAPS are acrylamide and 3-((2-(methacryloyloxy)ethyl)dimethylammonio)propane-1-sulfonate, respectively. The electrostatic interactions within DMAPS and hydrogen bonding between AM moieties contribute to the physical cross-linking of the polymer chains and self-healing ability of the hydrogel. The reported strategy represents a general and facile route to construct zwitterionic copolymer based self-healable functional hydrogels for potential applications in the field of enhanced oil recovery (EOR).
研究领域:
材料科学
·
聚合物化学
·
自修复材料
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）