CRYSTAL GROWTH & DESIGN
·
2023
·
IF 3.8
Zhiyong Zheng,Yuehua Deng,Weining Xie,Sirui Chen,Xiaoxiao Liang,Shiyuan Liu,Yanbin Jiang,Huaiyu Yang
Multicomponent crystal is an effective way to improve the physicochemical properties of drugs. However, screening for co-formers that form multicomponent crystals with active pharmaceutical ingredients is still a challenge. In this study, a co-former prediction method based on partial least squares (PLS) regression was developed. First, 101 positive and negative samples reported were traced from the literature as a training set, based on which seven prediction models were built. Ciprofloxacin (CIP) was selected as the model drug, and the prediction models developed were adopted to predict co-formers which might form multicomponent crystals with CIP. Seven CIP multicomponent crystal systems were successfully prepared experimentally, six of which were hit by the two-parameter prediction model with the Hansen solubility parameter and the conductor-like screening model for real solvents, which achieved an overall accuracy and positive accuracy of 85 and 75%, respectively, higher than those of other models. All seven multicomponent crystal systems showed an increase in process solubility in pH 6.8 phosphate buffer solution (1.06–3.92-fold) and exhibited two different types of dissolution behaviors, wherein three samples exhibited a supersaturated peak in the dissolution process, while the other four did not. This difference was mainly due to the different rates of CIP trihydrate precipitation. The hygroscopic stability of all multicomponent crystals at room temperature and 95% relative humidity was substantially improved compared to raw CIP. This study provides a simple and effective strategy for the predictive screening of multicomponent crystal systems.
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CARBOHYDRATE POLYMERS
·
2023
·
IF 11.2
Hengye Li,Xingwei Han,Lin Zhang,Wenjie Yu,Wenwen Bie,Meijie Wei,Zhongxia Wang,Fenying Kong,Wei Wang
Herein, β-cyclodextrin-containing hybrid polymers (P1, P2 and P3) were prepared through crosslinking partially benzylated β-cyclodextrin (PBCD) by octavinylsilsesquioxane (OVS). P1 stood out in screening studies and the residual hydroxyl groups of PBCD was sulfonate-functionalized. The obtained P1-SO 3 Na showed greatly enhanced adsorption towards cationic MPs and maintained the excellent adsorption performance towards neutral MPs. The rate constants ( k 2 ) of cationic MPs upon P1-SO 3 Na were 9.8–34.8 times larger than those upon P1. The equilibrium uptakes of the neutral and cationic MPs upon P1-SO 3 Na were above 94.5 %. Meanwhile, P1-SO 3 Na demonstrated appreciable adsorption capacities, excellent selectivity, effective adsorption of mixed MPs at environmental levels and good reusability. These results confirmed the great potential of P1-SO 3 Na as effective adsorbent to remove MPs from water.
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Aquaculture Reports
·
2023
·
IF 3.7
Wenlong Wan,Jie Xu,Jiayuan Shi,Xin Zhang,Anran Wang,Xiaojing Dong,Shuyan Miao
A 60-day feeding trial was conducted to determine the effects of the interaction of dietary niacin and lipid on the growth, antioxidant capacity and lipid metabolism in male Eriocheir sinensis . A total 162 crabs (initial weight, 33.27 ± 0.84 g) were fed with six semi-purified diets containing L 6 N 0 (6% lipid and 0 mg/kg niacin), L 6 N 400 (6% lipid and 400 mg/kg niacin), L 6 N 800 (6% lipid and 800 mg/kg niacin), L 12 N 0 (12% lipid and 0 mg/kg niacin), L 12 N 400 (12% lipid and 400 mg/kg niacin), L 12 N 800 (12% lipid and 800 mg/kg niacin), respectively. Elevated levels of niacin and lipid improved growth performance of crabs, but there were no significant differences. Crabs fed with 400 mg/kg niacin diets had higher hepatopancreas index (HSI) and lipase (LPS) than that of the other groups. Niacin promoted the accumulation of lipid in the hepatopancreas, but excessive accumulation led to more oxidative stress in crabs. In conclusion, excess lipid and niacin enhanced the growth performance of male Chinese mitten crabs by promoting the accumulation of lipid in the body at the expense of impairing their immune capacity. Crabs fed with 6% lipid and 400 mg/kg niacin diet had an advantage in lipid metabolism, without a significant decrease in antioxidant capacity, achieving a balance in growth performance and immunity.
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CARBOHYDRATE POLYMERS
·
2023
·
IF 11.2
Hengye Li,Xingwei Han,Wenjie Yu,Lin Zhang,Wenwen Bie,Meijie Wei,Zhongxia Wang,Fenying Kong,Wei Wang
Herein, through knitting benzylated β-cyclodextrin (BnCD) by dimethoxypillar[5]arene (P[5]), porous copolymers (P[5]-BnCDs) containing two kinds of macrocycles were synthesized with yields not <97 %. The molar ratio of P[5]/BnCD greatly influenced the P[5]-BnCDs' porosity and adsorption performance. When the molar ratio of P[5]/BnCD was 4/1, the P[5]-BnCD (4-1), demonstrated a surface area up to 515.95 m 2 /g and showed fast adsorption kinetic , high adsorption capacity and good reusability towards the model organic micropollutants (OMPs). The adsorption fitted well with the pseudo-second-order and the Langmuir models, while the thermodynamic studies revealed spontaneous physisorption process. The adsorption mechanism was dominant by host-guest and hydrophobic interactions and the adsorption at environmentally relevant concentrations experiments showed the practicality and superiority in extraction of the OMPs at μg/L level. This study paves a way for the development of versatile porous organic polymers with multiple macrocycles for efficient removal of OMPs from water.
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Scientific Reports
·
2019
·Vol. 9
·期 1
·1-11
·
IF 4.011
Hu Chunhui,Zhao Shuxue,Li Kuiran,Yu Hao
A novel Alcaligenes sp. strain P156, which can utilize nicotinamide as its sole source of carbon, nitrogen and energy, was enriched and isolated from soil in a solid waste treatment plant. Aerobic growth and degradation with nicotinamide were characterized. Seven nicotinamide degradation-related genes were obtained by sequence alignment from the genome sequence of strain P156. Four genes, designated naaA , naaD , naaE and naaF , were cloned and heterologously expressed. Nicotinamide degradation is initiated by deamination to form nicotinic acid catalyzed by the nicotinamidase NaaA, which shares highest amino acid sequence identity (27.2%) with nicotinamidase from Arabidopsis thaliana . Nicotinic acid is converted to 6-hydroxynicotinic acid, which is further oxidized to 2,5-dihydroxypyridine (2,5-DHP). 2,5-DHP is then transformed to a ring-cleavage product, N -formylmaleamic acid, by an Fe 2+ dependent dioxygenase NaaD. N -formylmaleamic acid is transformed to fumaric acid through maleamic acid and maleic acid by NaaE and NaaF, respectively. To our knowledge, this is the first report of the complete microbial degradation of nicotinamide in bacteria. Nicotinamide is considered as a model compound for the study of microbial degradation of pyridinic compounds, and the nicotinamide degrading related genes in strain P156 were distributed differently from the reported similar gene clusters. Therefore, this study contribute to the knowledge on the degradation of pyridinic compounds.
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2019
·Vol. 411
·期 15
·3361-3372
·
IF 3.286
Zhang Yingyi,Li Liang,Wang Qi,Shen Mei,Han Weili,Yang Xuemei,Chen Lingyun,Ma Ande,Zhou Zhengzheng
Methamphetamine (METH) is one of the most highly addictive illicit drugs abused all over the world. Much evidence indicates that METH abuse leads to major toxicity, medical consequences, and even severe public health consequences. Existing studies usually focus on the pathomechanism of METH-induced toxicity; therefore, data on metabolites and elements correlating with particular toxicity remain scarce. The objective of the present study is to develop appropriate analytical procedures to identify the differential metabolic and elemental biomarkers on METH-induced hepatic injury to rats. The rats were administrated with METH (15 mg/mL/kg, two times per day) via intraperitoneal (i.p.) injections for four consecutive days. The alanine aminotransferase and aspartate aminotransferase activity levels of in the rat serum of the METH group increase significantly compared with those of the control group, suggesting obvious hepatic injury. The results are further confirmed by the histopathological microscopic observation. A total of 18 small molecular metabolites and 19 elements are selected to perform the simultaneous quantification based on the combination of liquid chromatography coupled with tandem mass spectrometry and inductively coupled plasma mass spectrometry. Sample preparation was optimized to cover all the analytes. Both methods are optimized and validated according to developed guidelines such as limits of detection, limits of quantification, linearity, precision, and recovery. All the obtained data are within the satisfactory range. The normalized data were processed according to the partial least squares discrimination analysis (PLS-DA) model. Five differential metabolic and six elemental markers are identified in rat plasma based on the variable importance in projection (VIP) (> 1) and t test results. Overall, the results obtained in this study demonstrate the developed methods are suitable for simultaneous determination of metabolic and elemental markers in the hepatic injury to rats induced by METH.
Graphical abstract
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Nanoscale
·
2019
·Vol. 11
·期 34
·16036-16042
·
IF 6.97
Chunsong Lu,Qian Su,Xiaoming Yang
Currently, the synthesis and applications of room-temperature phosphorescent (RTP) materials are promising, but challenging. Herein, a kind of ultra-long phosphorescent carbon dots (P-CDs) were rapidly prepared through a facile microwave-directed method. In particular, the yellow-green phosphorescence of the P-CDs was observed for up to 9 s, and their fluorescence and phosphorescence were observed at 418 nm and 525 nm, respectively, using the same excitation at 354 nm. Moreover, the RTP intensity of the P-CDs gradually decreased with the increasing pH because of the protonation-dissociated hydrogen bonds and disturbed phosphorescence sources, whereas their fluorescence exhibited general stability over a wide pH range of 2.1–12.68. Significantly, we found that both the fluorescence and the phosphorescence of the P-CDs were quenched by the introduction of tetracyclines (TCs). Specifically, the P-CDs described herein have abundant –COOH and –OH groups on their surfaces, which facilitate the linkage of CDs with TCs, thus resulting in the occurrence of an inner filter effect process (IFE). Moreover, the P-CDs showed potential as an ideal candidate for building up dual-channel assays towards the targets.
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Science Advances
·
2018
·Vol. 4
·期 9
·
IF 11.511
Jie Wang,Wei Gao,Han Zhang,Minhan Zou,Yongping Chen,Yuanjin Zhao
Surface materials with specific wettability play important roles in a wide variety of areas from science to industry. We present a novel paraffin-infused porous graphene film (PIPGF) with programmable wettability. Because of graphene’s photothermal property, the paraffin in the PIPGF was in transition between liquid and solid in response to near-infrared (NIR) light irradiation. Thus, we imparted the film with a dynamic and reversible transition between a slippery and a rough surface as the remotely tunable wettability. In addition, with the integration of NIR masks, the paraffin could melt at corresponding patterns on the PIPGF, which formed special flow pathways for the slipping droplets. Therefore, the PIPGF could provide programmable wettability pathways for the spatiotemporal droplet manipulation by flexibly changing the NIR masks. We demonstrated these programmable wettability pathways to not only simplify liquid handling in the microplates and droplet microarrays technology but also to provide distinctly microfluidic microreactors for different purposes, such as practical blood grouping diagnosis. These features indicated that the photocontrollable PIPGF would be amenable to a variety of applications, such as microfluidic systems, laboratory-on-a-chip settings, and droplet manipulations.
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JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
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2018
·
IF 2.891
Zhangbao Chen,Shanshan Wang,Xiaoming Yang
Herein, one type of carbon dots (CDs) directed by l -threonine has been innovatively synthesized on the basis of a facile approach. Meanwhile, the CDs mainly consisted of C, O, N, and P according to the detailed characterizations. Importantly, the CDs obtained here not only exhibited the bright-blue fluorescence and generally acceptable stability, but also showed the promising for detecting Au 3+ and l -methionine. To be specific, the off-process by an obvious fluorescence quenching of the CDs achieved assaying Au 3+ , and Au 3+ could be removed by the introduction of l -methionine through the stronger interaction between Au 3+ and l -methionine, and thus leading to the fluorescence of CDs recovered. Consequently, the quantitative analyses of Au 3+ concentration in a linear range of 6 μM–1 mM was obtained along with the range from 80 μM to 1 mM for l -methionine. In addition, the practicability of this proposed method was validated by the detections of the lake samples, suggesting that it could broaden the sensing strategies for assaying both Au 3+ and l -methionine.
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Journal of Energy Chemistry
·
2018
·
IF 3.886
Fuping Tian,Qiaofeng Ru,Chenxia Qiao,Xin Sun,Cuiying Jia,Yu Wang,Yifu Zhang
This work presented the synthesis of Ni-based metal-organic framework material with a paddle-wheel structure Ni 3 (BTC) 2 (Ni-BTC) and its application in thiophene (TP) adsorption from gasoline distillate by batch method. Adsorption isotherms of TP, cyclohexene , and toluene in cyclohexane onto Ni-BTC were conducted at 298–308 K to interpret the different effect of cyclohexene and toluene on TP adsorption. The results showed that, compared with cyclohexene, toluene addition in model gasoline led to a more evident decline in sulfur capacity of Ni-BTC, which is opposite to isostructural HKUST-1. The adsorption isotherms of TP, cyclohexene and toluene fit Langmuir model, S-type model and Temkin model well, respectively, indicating that the adsorption mechanisms of TP and the two competitors are different from one another. The adsorption capacities on Ni-BTC followed the order of cyclohexene < toluene < TP at the same equilibrium concentrations , implying the order of the adsorption affinities, which is in good agreement with the different extent of influence by the two competitors. The enthalpy of TP adsorption on Ni-BTC was estimated to be −80.01 kJ/mol, almost twice that on HKUST-1. The poor reusability of Ni-BTC in batch experiment, which is owing to its sensitivity to the air, can be prevented from regenerating used Ni-BTC in fixed-bed reactor by N 2 flow. The difference between Ni-BTC and HKUST-1 in maximum adsorption capacity ( q 0 ), Δ H of TP adsorption, and stability demonstrates that the central metal in isostructural MOFs plays a key role in adjusting the desulfurization performance, which may open up a potential avenue for the development of MOF-based adsorbents with superior desulfurization performance.
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SENSORS AND ACTUATORS B-CHEMICAL
·
2019
·
IF 6.393
Chunsong Lu,Jie Liu,Lanlan Gan,Xiaoming Yang
Distinguishing the isomers is considered to be challenging, and shows the great importance in the biochemical and pharmaceutical fields. Herein, the blue carbon dots (CDs) were successfully raised on the basis of a facile hydrothermal way, since Cryptococcus served as the carbon source. Importantly, the as-prepared CDs were employed to achieve the differentiation and detection of two benzenediols. To be specific, the fluorescence of CDs was enhanced once m -benzenediol (resorcinol) was added, while introducing p -benzenediol (hydroquinone) lead to their fluorescence quenching. Towards the mechanism, the addition of m -benzenediol promoted the formation of hydrogen bonds between m -benzenediol and CDs, and thus resulting in their enhanced fluorescence. In contrast, the fluorescence quenching occurred due to the electron transferring from the rich-electrons of CDs to p -benzoquinone, when p -benzenediol was oxidized to be p -benzoquinone. Therefore, a differentiating strategy of two isomers has been proposed, and also contributed to detecting m -benzenediol and p -benzenediol concentrations in the ranges of 2 × 10 −3 to 1 × 10 −7 M and 2 × 10 -5 to 2 × 10 -9 M, respectively. Although there already existed the high performance liquid chromatography and other chemical methods for determining benzenediols, the current strategy provided a new way of distinguishing and assaying the isomers of benzenediols.
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TALANTA
·
2017
·
IF 4.162
Yong Hu,Hai-Long Wu,Xiao-Li Yin,Hui-Wen Gu,Rong Xiao,Li-Xia Xie,Zhi Liu,Huan Fang,Li Wang,Ru-Qin Yu
The aim of the present work was to develop a rapid and interference-free method based on liquid chromatography-mass spectrometry (LC-MS) for the simultaneous determination of nine B-group vitamins in various energy drinks. A smart and green strategy that modeled the three-way data array of LC-MS with second-order calibration methods based on alternating trilinear decomposition (ATLD) and alternating penalty trilinear decomposition (APTLD) algorithms was developed. By virtue of "mathematical separation" and "second-order advantage", the proposed strategy successfully solved the co-eluted peaks and unknown interferents in LC-MS analysis with the elution time less than 4.5 min and simple sample preparation. Satisfactory quantitative results were obtained by the ATLD-LC-MS and APTLD-LC-MS methods for the spiked recovery assays, with the average spiked recoveries ranging from 87.2–113.9% to 92.0–111.7%, respectively. These results acquired from the proposed methods were confirmed by the LC-MS/MS method, which shows a quite good consistency with each other. All these results demonstrated that the developed chemometrics-assisted LC-MS strategy had advantages of being rapid, green, accurate and low-cost, and it could be an attractive alternative for the determination of multiple vitamins in complex food matrices, which required no laborious sample preparation, tedious condition optimization or more sophisticated instrumentations.
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