JOURNAL OF MOLECULAR STRUCTURE
·
2025
·
IF 4.7
Mingyu Wang,Haofei Sun,Xinyi Bai,Bo Su,Kai Li,Shengbo Zhang,Hailin Cui,Cunlin Zhang,Zhaoxin Geng
Hypertension directly or indirectly accounts for over 10% of maternal deaths. L-methyldopa is a safe antihypertensive for pregnant women, yet its low aqueous solubility substantially reduces bioavailability. This study enhances L-methyldopa's solubility in simulated gastric and intestinal fluids through cocrystallization with D-mannitol, thereby improving bioavailability. The cocrystal was synthesized via slow solvent evaporation. Then, multiple characterization techniques including powder X-ray diffraction (PXRD), Raman spectroscopy (Raman), scanning electron microscopy (SEM), and differential scanning calorimetry-thermogravimetric analysis (DSC-TGA) were employed to confirm the formation of cocrystals and verify the crystal structure and purity. Subsequently, a terahertz time-domain spectroscopy (THz-TDS) system was used to measure the spectral properties of D-mannitol, L-methyldopa, physical mixture, and cocrystal, and it was found that terahertz absorption spectroscopy can effectively characterize the formation of cocrystals. Furthermore, we also performed DFT calculations to simulate the crystal structures of D-mannitol, L-methyldopa, and the corresponding cocrystal. By comparing the experimental and simulated terahertz absorption spectra, it was found that they showed good agreement. High-performance liquid chromatography (HPLC) measurements showed that, compared with pure L-methyldopa, the solubility of L-methyldopa in the cocrystal in simulated intestinal fluid and gastric fluid increased by 53% and 67% respectively. DSC-TGA analysis confirmed significantly enhanced thermal stability of the cocrystal. This work provides valuable methodological insights for pharmaceutical cocrystal development.
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DOI
高影响因子
ACS Sustainable Chemistry & Engineering
·
2025
·
IF 7.3
Yunhe Zhang,Yun Huang,Changjian Zhang,Yang Gao,Yanzhou Wang,Caixia Li,Yiheng Wang,Xing Li,Mingshan Wang,Yuanhua Lin
Aqueous zinc-ion batteries (AZIBs) have gained increasing attention for grid energy storage systems. However, ensuring the long-term reversible operation of the zinc anode remains a challenge due to dendrite growth and adverse side reactions during the charge and discharge cycles. This study investigates the use of d-pantothenic acid (D-PA) as an additive in 2 M ZnSO4 aqueous electrolyte to enhance the cycling stability of the zinc anode in AZIBs. Experimental results and theoretical calculations demonstrate that D-PA reshapes the solvation structure of Zn2+ by partially replacing coordinated water molecules, ensuring the stability of Zn2+ transport. Furthermore, D-PA adsorbs on active sites of the zinc anode, increasing the surface overpotential (|ηs|), reducing the nucleation energy barrier, and decreasing the critical nucleus size (rcrit), thus ensuring uniform zinc deposition. This dual role of modifying the Zn2+ solvation shell and regulating Zn2+ nucleation effectively mitigates dendrite growth and suppresses side reactions, resulting in excellent stability of the zinc anode. Consequently, Zn||Zn symmetrical cells with the D-PA additive maintain stable operation for over 2000 h at 1.0 mA cm–2 and 1.0 mA h cm–2, and nearly 4000 h at 4.0 mA cm–2 and 4.0 mA h cm–2. Additionally, Zn||Cu asymmetric cells exhibit cycling stability over 300 cycles at 0.5 mA cm–2 and 0.5 mA h cm–2, with an average Coulombic efficiency of 99.29%. Moreover, Zn||V2O5 full cells containing the D-PA additive exhibit stable cycling performance over 1000 cycles at a current density of 1 A g–1, maintaining a high capacity retention. Specifically, the initial capacity of the full cell is around 161.17 mA h g–1, with approximately 62.7% capacity retention after 1000 cycles.
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高影响因子
Energy Storage Materials
·
2023
·
IF 20.4
Zhewen Ma,Zhongyuan Huang,Zhao Li,Guojie Chen,Yinghui Li,Wen Zhu,Wenguang Zhao,Haocheng Ji,Hui Fang,Wen Wen,Wen Yin,Jianxin Zou,Yinguo Xiao
In this study, ultrafine Mg(In) solid-solution particles were successfully prepared through an arc plasma method and their deuterium uptake/release performances were systematically estimated with respect to the identically processed pure Mg particles. Thermodynamic destabilization and kinetic enhancement of Mg-In-D system were achieved simultaneously with lower deuterium ab/desorption enthalpies and decreased desorption temperatures. For the first time, an in-situ synchrotron X-ray diffraction (ISXRD) coupled with neutron powder diffraction (NPD) technique and density functional theory (DFT) calculations clearly substantiated that an indium diffusion-dominated phase transition is the driving force for the evolution from mixture of MgD 2 and Mg-In intermetallic to Mg-based solid solution during the deuterium release (DR). The ISXRD results clarified the real-time phase transition from MgIn to Mg 3 In at 515 K and the interreaction of MgD 2 and Mg 3 In at 640 K, by which the matrix could be destabilized to trigger an indium-diffusion governed DR reaction in deuteride. Moreover, with the aid of NPD experiment, the microstructure evolution of Mg-In-D system demonstrated the continuous diffusion of indium into Mg/MgD 2 upon desorption. The solubilized indium in MgD 2 effectively reduced the D -migration energy barrier and stabilized the lattice structure to restrain the constriction of Mg-D bonds, through which the noticeable improvement on both thermodynamic and kinetic performances of the Mg-In system was achieved. The combination of synchrotron X-ray and neutron diffraction offers a high-efficiency strategy to fathom the hydrogen discharging mechanism from the viewpoint of real-time phase transitions and crystalline structure evolutions.
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高影响因子
Nature Communications
·
2022
·Vol. 13
·期 1
·1-8
·
IF 17.694
Li Ming-Ding,Shen Xiao-Quan,Chen Xin,Gan Jia-Ming,Wang Fang,Li Jian,Wang Xiao-Liang,Shen Qun-Dong
With speeding up development of 5 G chips, high-efficient thermal structure and precise management of tremendous heat becomes a substantial challenge to the power-hungry electronics. Here, we demonstrate an interpenetrating architecture of electrocaloric polymer with highly thermally conductive pathways that achieves a 240% increase in the electrocaloric performance and a 300% enhancement in the thermal conductivity of the polymer. A scaled-up version of the device prototype for a single heat spot cooling of 5 G chip is fabricated utilizing this electrocaloric composite and electromagnetic actuation. The continuous three-dimensional (3-D) thermal conductive network embedded in the polymer acts as nucleation sites of the ordered dipoles under applied electric field, efficiently collects thermal energy at the hot-spots arising from field-driven dipolar entropy change, and opens up the high-speed conduction path of phonons. The synergy of two components, thus, tackles the challenge of sluggish heat dissipation of the electroactive polymers and their contact interfaces with low thermal conductivity, and more importantly, significantly reduces the electric energy for switching the dipolar states during the electrocaloric cycles, and increases the manipulable entropy at the low fields. Such a feasible solution is inevitable to the precisely fixed-point thermal management of next-generation smart microelectronic devices.
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PubMed
高影响因子
JOURNAL OF BIOTECHNOLOGY
·
2015
·
IF 2.871
Xia Yi,Peng Zhang,Jiaoe Sun,Yi Tu,Qiuqiang Gao,Jian Zhang,Jie Bao
Pediococcus acidilactici TY112 producing l -lactic acid and P. acidilactici ZP26 producing d -lactic acid, were engineered from the wild-type P. acidilactici DQ2 by ldhD or ldh gene disruption , and the robustness of the wild-type strain to the inhibitors derived from lignocellulose pretreatment was maintained well. In simultaneous saccharification and fermentation (SSF), 77.66 g L −1 of l -lactic acid and 76.76 g L −1 of d -lactic acid were obtained at 25% (w/w) solids content of dry dilute acid pretreated and biodetoxified corn stover feedstock. l - and d -Lactic acid yield and productivity were highly dependent on the inhibitor removal extent due to the significant down-regulation on the expressions of ldh and ldhD encoding lactate dehydrogenase by inhibitor, especially syringaldehyde and vanillin at the low concentrations. This study provided a prototype of industrial process for high titer l - and d -lactic acid production from lignocellulose feedstock.
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高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2023
·
IF 8.2
Yanan Sun,Xiangze Jia,Chin Ping Tan,Bin Zhang,Xiong Fu,Qiang Huang
The formation of inclusion complexes (ICs) between V-type starch and flavors is traditionally conducted in an aqueous system. In this study, limonene was solid encapsulated into V6-starch under ambient pressure (AP) and high hydrostatic pressure (HHP). The maximum loading capacity reached 639.0 mg/g after HHP treatment, and the highest encapsulation efficiency was 79.9 %. X-ray Diffraction (XRD) results showed that the ordered structure of V6-starch was ameliorated with limonene, which avoided the reduction of the space between adjacent helices within V6-starch generated by HHP treatment. Notably, HHP treatment may force molecular permeation of limonene from amorphous regions into inter-crystalline amorphous regions and crystalline regions as the Small-angle X-ray scattering (SAXS) patterns indicated, leading to better controlled-release behavior. Thermogravimetry analysis (TGA) revealed that the solid encapsulation of V-type starch improved the thermal stability of limonene. Further, the release kinetics study showed that a complex prepared with a mass ratio of 2:1 under HHP treatment sustainably released limonene over 96 h and exhibited a preferable antimicrobial effect, which could extend the shelf life of strawberries.
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PubMed
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2022
·
IF 9.965
Zuyang Luo,Qimin Peng,Zhiyang Huang,Lixia Wang,Yuting Yang,Jiaxin Dong,Tayirjan Taylor Isimjan,Xiulin Yang
Developing high-activity, long-durability, and noble metal-free oxygen evolution (OER) and hydrogen evolution (HER) cocatalysts are the bottlenecks for efficient overall water splitting (OWS). Here, novel cobalt vanadium oxides doped by nitrogen were synthesized by nitriding Co 2 V 2 O 7 @NF precursor at 300–450 °C for OER and HER reactions. N-Co 2 V 2 O 7 @NF (350 °C) and N-Co 2 VO 4 /VO 2 @NF (400 °C) show remarkable OER and HER performance with overpotentials of 310 mV and 224 mV at high current density (100 mA cm −2 ). Besides, they also revealed long-term solid stability even after 170 h and 700 h of continuous performance. Furthermore, the N-Co 2 V 2 O 7 @NF (+) ||N-Co 2 VO 4 /VO 2 @NF (–) OWS device possesses a cell voltage of 1.93 V at 500 mA cm −2 better than RuO 2 @NF (+) ||Pt/C@NF (–) (2.02 V) and can operate for 60 h with almost no degradation. This extraordinary performance can be attributed to the nanosheet structure, which can maximize the exposure of active sites and accelerate the mass transfer. Moreover, density functional theory (DFT) calculations suggest that N -doping can fine-tune the d-band center and band gap to facilitate intermediate adsorption and electron motion. The method presented here can be applied in other novel N -doped electrocatalysts for the energy field.
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高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2021
·
IF 3.196
Jiancheng Zhao,Rui Liu,Zhenzhou Zhang,Qianqian Xing,Honghong Chang,Xianglin Hou,Yingxiong Wang
The tautomer structure of monosaccharides plays an important role in its conversion and utilization, which is mainly manifested in the selectivity of the product and the reaction mechanism. The tautomer distributions of N -acetyl- D -glucosamine (GlcNAc), a natural nitrogen-containing monosaccharide were investigated by quantitative 1 H NMR ( 1 H qNMR) and 13 C NMR ( 13 C qNMR) at 298 K under the condition commonly utilized for biorefinery. Catalysts used for biorefinery, i.e. BaCl 2 , KCl, ZnCl 2 , MgCl 2 , B(OH) 3 , SnCl 4 ·5H 2 O and amino acid ionic liquid were introduced into D 2 O or DMSO‑ d 6 to explore the tautomer distributions of GlcNAc. The introduction of ZnCl 2 and SnCl 4 ·5H 2 O promoted the conversion of α-pyranose to β-pyranose. The introduction of amino acid ionic liquid has little effect on the percentage of tautomers in D 2 O. However, when the amino acid ionic liquid, such as [Thr]Cl, was introduced into DMSO‑ d 6 , the proportion of β-pyranose increased to 29.06%, compared with no catalyst introduced. Besides, we also studied the tautomer distributions of GlcNAc in commonly utilized reaction solvents for biorefinery, such as N,N -dimethylformamide, N , N -dimethylacetamide, N -methyl-2-pyrrolidinone, ethylene and glycerol. In these solvents, the proportion of β-pyranose in N,N -dimethylformamide and glycerol was reduced to 25.84% and 38.38%, respectively. This study provides the basic experimental data of tautomer distributions of GlcNAc, and guided the conversion and utilization of GlcNAc in the future.
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高影响因子
CRYSTENGCOMM
·
2021
·Vol. 23
·期 22
·3989-3994
·
IF 3.545
Anqi Li,Xiaofan Ma,Jie Ma,Qingyi Yuan,Jun Zhang,Xiaopeng Xuan
Herein we reported a simple and economical method for fabricating a portable separation device based on exfoliated 2D-metal–organic framework (2D-MOF) nanosheets. This device is composed of a layered Cu-MOF as a filter and a syringe filter as the holder. Benefiting from the structural characteristic of the 2D-MOF nanosheets, the separation experiment reveals that this strategy can exhibit high efficiency and selectivity for dyes with different sizes. This device can be used disposably for a special purpose due to the low cost, simple manufacturing process in an emergency.
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高影响因子
POLYMER SCIENCE SERIES A
·
2021
·Vol. 63
·期 3
·267-274
·
IF 1.206
Jun Shao,Tang Juan,Pu Shouzhi,Hou Haoqing
Abstract Blending of poly( L -lactic acid)/poly( D -lactic acid) (PLLA/PDLA) leads to the formation of poly(lactide) stereocomplexation (PLA SC), which exhibits higher melting temperature and faster crystallization rate. The crystallization behavior of PLA homochiral crystallization (HC) under the existence of PLA SC was also widely investigated. During the variable processing, the SC with different morphologies would produce, and these SC could exert different influences on the subsequent formation of HC. However, the effects of SC developed in various conditions on the formation of HC are not compared yet and are also not clear until now, and which is important for the application of PLLA/PDLA blends. In this paper, the PDLAs with different molecular weights were blended with PLLA at a weight ratio of PLLA/PDLA 90/10, and the crystallization behaviors of PLLA HC from different conditions were investigated by differential scanning calorimetry (DSC). Results indicated that, incorporating a small amount of PDLA accelerated the formation of PLLA HC significantly regardless of the SC developed from the solution evaporation or the melt. The higher crystallization rate of HC was received in the PLLA/PDLA specimens with lower molecular weight of PDLA. For the specimens crystallized from the partially melting (most of SC developed during solution evaporation), the crystallization rate was higher than that corresponding specimens crystallized from the completely melting state (the SC were produced from the melt). This discrepancy would be due to variable SC morphologies produced during diverse processing.
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高影响因子
FUEL
·
2024
·
IF 6.7
Fengrui Li,Xiao Dai,Linfeng Zhang,Huadong Wu,Jianding Li,Jia Guo,Qun Yi
Conjugated microporous polymers (CMPs) with a donor–acceptor (D-A) molecular structure usually express the properties of well light-induced electron/hole separation efficacy and high photocatalytic activity. The triphenylamine (TPA) with a special three-dimensional propeller structure was chose as the electron donor, and the dibenzothiophene sulfone (BTDO) groups as the chain scaffold and electron acceptor to construct and prepare a unique “macrocyclic structure” D-A type CMPs photocatalyst (TPA-BTDO) for photocatalytic hydrogen production (PHP). In order to further improve the conjugation degree of the CMPs and enhance the electron transfer capacity and light absorption, the thiophene units was introduced as “π-bridge” to form a macrocyclic D-π-A type CMPs photocatalyst (TPA-T-BTDO). The results show that the addition of thiophene greatly improves the coplanarity between the donor–acceptor units, and the prepared TPA-T-BTDO-1 exhibited an amazing PHP efficiency of 65.41 mmol h −1 g −1 in the visible light region. More importantly, the PHP efficiency also reaches up to 39.63 mmol h −1 g −1 under the natural light conditions. Both the characterizations and DFT simulation results prove that the twisted structure of the TPA donor decreases the dihedral angle between the benzene rings of BTDO and TPA, which improves the coplanarity of polymer skeleton and then prevents the charges transfer along the polymer chain for recombination. This study highlights the significant influence of the geometry of the electron donor on the photocatalytic activity, as well as the strategy of the structure adjusting by adding suitable bridges between the donor–acceptor units.
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Analytical Methods
·
2016
·Vol. 8
·期 5
·1127-1134
·
IF 1.915
Ning An,Lijuan Wang,Jingjing Zhao,Lili Lv,Ning Wang,Huaizhong Guo
An interesting study on chiral nonaqueous capillary electrophoresis (NACE) was developed in this paper. Two new chiral selectors, a lactobionic acid–boric acid complex and a D-(+)-xylose–boric acid complex were respectively in situ synthesized in nonaqueous background electrolytes (BGEs) containing methanol and triethylamine. They were found to be applicable for the enantioseparation of fourteen amino alcohols including eight β-blockers and six β-agonists by NACE. In order to achieve good enantioseparation, the effects of chiral selector concentration, BGE composition, capillary temperature, and applied voltage were systematically investigated. Under the optimized conditions, most of the tested amino alcohols achieved good chiral resolution. The effects of the molecular structures of chiral selectors and analytes on enantioseparation were discussed in terms of molecular interactions. The method was proved to be suitable for routine analysis of propranolol enantiomers, since it provided satisfactory results during linearity, precision, and accuracy (recovery) studies using the lactobionic acid–boric acid complex as the chiral selector. Good linearity was obtained in the range of 1.0–100.0 μg mL−1 for each propranolol enantiomer and the recoveries for them ranged from 96.4% to 105.9% with the relative standard deviation (RSD) less than 6.4%. This chiral NACE method was applied for the determination of propranolol enantiomers from tablets and the average contents were 101.3% for (R)-propranolol and 98.5% for (S)-propranolol (n = 5).
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高影响因子
危险品化学品经营许可证（带存储）