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BIOSYSTEMS ENGINEERING · 2018 · IF 2.132

Model robustness improvement by absorption and reduced scattering spectra in short wave near infrared spectral region

Xueming He,Xiaping Fu,Xiuqin Rao

Model robustness has always been the research focus for near infrared spectroscopy technique. In this study, we compared the model performance of four different kinds of spectra (transmittance, reflectance, absorption ( μ a ) and reduced scattering ( μ′ s )) for the prediction of fat and protein of milk. The protein content of milk in prediction set was totally out of range of fat calibration set. The same happens in the case of the fat content of milk in prediction set and protein calibration set. The aim of this present study was to investigate the effect of the difference of protein content on the robustness of four fat calibration models, and of the difference of fat content on the robustness of four protein calibration models. The single integrating sphere system was first calibrated by using 90 liquid phantoms. The detection accuracy of the calibrated system was externally validated by another 80 phantoms. It turned out that the system can measure the absorption and reduced scattering coefficients with relatively high precision in the range of 780–1073 nm, which gave mean relative errors less than 12% and 5% for μ a and μ′ s respectively. Partial least squares regression (PLSR) and stepwise multiple linear regression (SMLR) models were established, and the results showed that calibration model based on reduced scattering spectra could predict fat with the highest robustness for both regression methods, while the absorption spectra could predict protein content with the highest robustness by using SMLR. The separation of absorption and reduced scattering has great potential in improving the robustness of calibration models.

CAS / MDL: 13463-67-7 12065-65-5
研究领域: 食品科学 · 光谱学 · 生物医学工程
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Journal of Zhejiang University-SCIENCE B · 2020 · IF 2.082

A near-infrared spectroscopy-based end-point determination method for the blending process of Dahuang soda tablets

Si-jun Wu,Ping Qiu,Pian Li,Zheng Li,Wen-long Li

Objectives: This study is aimed to explore the blending process of Dahuang soda tablets. These are composed of two active pharmaceutical ingredients (APIs, emodin and emodin methyl ether) and four kinds of excipients (sodium bicarbonate, starch, sucrose, and magnesium stearate). Also, the objective is to develop a more robust model to determine the blending end-point. Methods: Qualitative and quantitative methods based on near-infrared (NIR) spectroscopy were established to monitor the homogeneity of the powder during the blending process. A calibration set consisting of samples from 15 batches was used to develop two types of calibration models with the partial least squares regression (PLSR) method to explore the influence of density on the model robustness. The principal component analysis-moving block standard deviation (PCA-MBSD) method was used for the end-point determination of the blending with the process spectra. Results: The model with different densities showed better prediction performance and robustness than the model with fixed powder density. In addition, the blending end-points of APIs and excipients were inconsistent because of the differences in the physical properties and chemical contents among the materials of the design batches. For the complex systems of multi-components, using the PCA-MBSD method to determine the blending end-point of each component is difficult. In these conditions, a quantitative method is a more suitable alternative. Conclusions: Our results demonstrated that the effect of density plays an important role in improving the performance of the model, and a robust modeling method has been developed.

研究领域: 药学 · 分析化学
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Synergistic borate crosslinking and chain entanglement for mechanically robust and water-rich hydrogels

Haidi Wu,Qin Su,Ruigang Zhou,Jun Yan,Yifan Feng,Cheng Guan,Wenwen Su,Dingdong Chen,Longcheng Tang,Xuewu Huang,Jiefeng Gao

Hydrogels that simultaneously achieve high water content and mechanical robustness remain a challenge in biomaterials science, as conventional reinforcement strategies tend to conflict with hydration requirements. Herein, we present a chain entanglement-mediated dynamic crosslinking strategy that transcends this limitation in poly(vinyl alcohol) hydrogels through molecular-to-macroscopic hierarchical engineering. By pre-constructing an entangled network in a glycerol organogel and inducing the formation of borate ester bonds via solvent exchange, we establish hydrogels with a dual-reinforcement architecture: borate esterification disrupts crystalline domains and expands the polymeric network to enable good hydration (85.5–93.4 % water content) while synergizing dynamic bond reversibility with macromolecular entanglements for multiscale energy dissipation. The resultant hydrogels achieve skin-matched modulus (370 kPa), high tensile strength (4.3 MPa), toughness (27.2 MJ/m 3 ) and extensibility (1447.9 % fracture strain), surpassing most of the reported water-rich hydrogels. Crucially, the hydrogel maintains stable ionic conductivity and biocompatibility, functioning as a conformal electrode that captures precisely electrocardiogram signals during vigorous physical activities. Therefore, this work provides a facile method for designing hydrogels that reconcile tissue-like functionality with engineered performance, holding implications for their practical applications in biomaterial fields.

研究领域: 生物材料科学 · 高分子科学 · 材料工程 · 生物医学工程
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PHYTOCHEMICAL ANALYSIS · 2024 · IF 3

Analytical quality by design based on knowledge organization: A case study of developing an ultrahigh-performance liquid chromatography method for the detection of phenolic compounds

Yanni Tai,Mintong Zhao,Feng Ding,Gelin Wu,Haibin Qu,Ping Gong,Yongjian Xie,Peng Zhou,Xingchu Gong

Introduction Despite numerous successful cases, there are still some challenges in using analytical quality by design (AQbD) for the development of analytical methods. Knowledge organization helps to enhance the objectivity of risk assessment, reduce the number of preliminary exploratory experiments, identify potential critical method parameters (CMPs) and their scope. Objective In the present study, we aimed to develop a simple, rapid, and robust analytical method for detecting phenolic compounds in Xiaochaihu capsule intermediates utilizing knowledge organization. Methods Knowledge organization and AQbD were combined to obtain the initial analytical conditions through knowledge collection, extraction, reorganization, and analysis. The quantitative relationship between critical method attributes (CMAs) and CMPs was then established by a definitive screening design. The method operable design region was calculated using an exhaustive Monte Carlo approach based on the probability of reaching the standard. Robustness investigation and methodological validation were finally performed. Results Analytical target profiles, CMAs, potential CMPs, and initial analytical conditions were initially identified, and the optimized ranges of operating parameters were obtained. A UHPLC method was successfully established for the analysis of phenolic compounds in ginger–ginger pinellia percolate, and the method validation outcomes were also satisfactory. Conclusion The developed method can be a reliable means to detect the phenolic compounds of Xiaochaihu capsule intermediates. Knowledge organization provides a new approach for making better use of prior knowledge, significantly enhancing the efficiency of analytical method development. The approach is versatile and can be similarly applied to the development of other methods.

研究领域: 分析化学 · 药学 · 化学计量学 · 质量保证
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Nature Communications · 2022 ·Vol. 13 ·期 1 ·1-10 · IF 17.694

Quasi-solid-state Zn-air batteries with an atomically dispersed cobalt electrocatalyst and organohydrogel electrolyte

Wang Qichen,Feng Qingguo,Lei Yongpeng,Tang Shuaihao,Xu Liang,Xiong Yu,Fang Guozhao,Wang Yuchao,Yang Peiyao,Liu Jingjing,Liu Wei,Xiong Xiang

Quasi-solid-state Zn-air batteries are usually limited to relatively low-rate ability (<10 mA cm −2 ), which is caused in part by sluggish oxygen electrocatalysis and unstable electrochemical interfaces. Here we present a high-rate and robust quasi-solid-state Zn-air battery enabled by atomically dispersed cobalt sites anchored on wrinkled nitrogen doped graphene as the air cathode and a polyacrylamide organohydrogel electrolyte with its hydrogen-bond network modified by the addition of dimethyl sulfoxide. This design enables a cycling current density of 100 mA cm −2 over 50 h at 25 °C. A low-temperature cycling stability of over 300 h (at 0.5 mA cm −2 ) with over 90% capacity retention at −60 °C and a broad temperature adaptability (−60 to 60 °C) are also demonstrated.

研究领域: 电化学 · 材料科学 · 能源存储
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SENSORS AND ACTUATORS B-CHEMICAL · 2022 · IF 9.221

Zn-doped carbon dots-based versatile bioanalytical probe for precise estimation of antioxidant activity index of multiple samples via fenton chemistry

Muhammad Sohail,Bin Xie,Bingzhi Li,He Huang

The significance of antioxidant activity determination in health sciences and food technology has become a hot research area as it is directly related to oxidative stress which is affiliated with several diseases and food deterioration. Herein, we fabricated a Zn-CDs-based (Zn-doped carbon dots-based) bioanalytical probe for the estimation of antioxidant activity index (AAI) to cope with the truncated robustness, high interference effect in complex samples, photo-bleaching, and low stability of the traditional techniques. Besides, the novel AAI standardized the presentation of the results by considering the transducer, Zn-CDs, concentration as reported results vary diversely for the same sample. In principle, free radicals quenched the fluorescence of the probe via inner filter effect and dynamic quenching. The presence of antioxidants hindered the fluorescence quenching by sequestering the free radicals from the reaction. The designed nanoreagent was validated for its applications using ascorbic acid , human serum, topical cosmetic formulation, and tomato juice samples. The bioanalytical probe demonstrated precise linearity, high robustness, low interference effect, and analytical equivalence when compared to the DPPH free radical assay. Hence, it can be used for the diagnosis and follow-up of oxidative stress-related ailments, developing and characterizing cosmeceuticals, analysis of antioxidant-containing formulations, and assessing and controlling the quality of food products. It is the first report to explore the antioxidant feature of Zn-CDs and its advantage for the estimation of AAI.

CAS / MDL: 50-81-7 6119-70-6
研究领域: 分析化学 · 生物化学 · 生物技术 · 食品科学 · 健康科学
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ACS Sensors · 2021 · IF 7.711

A Disposable Printed Liquid Gate Graphene Field Effect Transistor for a Salivary Cortisol Test

Rong Zhang,Yunfang Jia

Circadian rhythm of salivary cortisol is of clinical significance, tracking salivary cortisol in domicile is welcomed by both doctor and patient, due to its merits of noninvasion, ease of sampling, and free-of-stress response. Here, we present a portable salivary cortisol test setup based on a liquid gate graphene field effect transistor (Lg-GFET) for the first time. In this work, the Lg-GFET was prepared by the printing technology and exploited as a sensitive material. In the procedures of device preparation, the modified liquid exfoliation method and direct-ink-write technology were utilized for synthesizing the graphene ink and printing Lg-GFETs; then, the as-prepared Lg-GFETs were decorated and functionalized by tetrakis(4-carboxyphenyl) porphyrin and the cortisol aptamer, successively. Their sensitivity, selectivity, and robustness are seriously examined. The test results indicate that the sensors have good linear sensitivities over a seven-log analyte concentration range (0.01 to 104 nM) and the anti-interference ability to distinguish from the substancess with similar chemical structures. Moreover, the conceptual application for tracking circadian rhythm was carried out successfully. Conclusively, the proposed flexible Lg-GFET-based salivary cortisol detection platform can satisfy the requirements of the salivary cortisol’s assay for instant detection. Additionally, it also provides an alternative solution for developing similar household medical appliances.

CAS / MDL: 64-17-5
研究领域: 生物传感器 · 即时检测 · 石墨烯技术 · 医疗器械 · 生物医学工程
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