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Anisotropic Dynamics of Protein Side Chain NH2 Groups Revealed through Analysis of ²H and ¹⁵N NMR Relaxation Rates

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2025年第9期16卷 2175-2180页

作者： wang, xi Yu, Binhan wang, Tianzhi Iwahara, Junji Univ Texas Med Branch Sealy Ctr Struct Biol & Mol Biophys Dept Biochem & Mol Biol Galveston TX 77555 USA

Although nuclear magnetic resonance (NMR) spectroscopy is powerful for protein dynamics investigations, the anisotropy of internal motions has been difficult to analyze with NMR. In principle, NMR order parameters for multiple bond vectors fixed on the same plane can reveal the anisotropy of internal motions. We investigated the anisotropic dynamics of protein asparagine (Asn) and glutamine (Gln) side chain NH2 groups using 2H and 15N NMR relaxation rates. Hindered rotations about the C-N bond causing chemical exchange between the two hydrogens of Asn/Gln NH2 groups are far slower than 2H relaxation. Using the 2H and 15N relaxation data at two magnetic fields, we determined two order parameters and 2H quadrupolar coupling constants for each NH2 group of ubiquitin. Our data clearly illuminate the heterogeneous dynamic properties of the protein side chain NH2 groups with different degrees of the motional anisotropy, which depends strongly on the local environment.

关键词： Anisotropy

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Synergy Between Woody Peat and Bentonite Alters Stability of Soil Organic Carbon in Coarse Soil by Enhancing Capacity for Soil Aggregation and Hydro-Physical Properties

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LAND DEGRADATION & DEVELOPMENT 2025年第1期36卷 318-333页

作者： wang, xi Fan, Jun wang, Huan Du, Mengge Chinese Acad Sci & Minist Educ Res Ctr Soil & Water Conservat & Ecol Environm State Key Lab Soil Eros & Dryland Farming Loess Pl Yangling Peoples R China Chinese Acad Sci & Minist Water Resources Inst Soil & Water Conservat Yangling Peoples R China Univ Chinese Acad Sci Beijing Peoples R China Northwest A&F Univ State Key Lab Soil Eros & Dryland Farming Loess Pl Yangling Peoples R China

Coarse soil has a poor structure and is susceptible to wind and water erosion, thereby making it difficult to maintain the soil organic carbon (SOC) content. Woody peat (WP) is an organic material that can increase the SOC content of the soil, while clay materials can rapidly enhance the capacity for soil aggregate formation. In order to explore the synergistic effects of WP and clay materials (bentonite and red clay) on the aggregate structure and hydro-physical properties of coarse soil, as well as the mechanism associated with SOC mineralization (Delta SOC), we conducted an incubation study using lou soil (L0) and loessial soil (H0) with three treatments: addition of WP alone (LW, HW), mixture of WP and bentonite (LWB, HWB), and mixture of WP and red clay (LWR, HWR). The three treatments enhanced the proportion of macroaggregate (> 2 mm) and aggregate stability of the two soils, and optimized the water retention and ventilation performance. The highest aggregate stability of LWB and HWB can be attributed to the positive synergistic effect of WP and bentonite, and bentonite was more effective than red clay due to its crystal structure. The results also showed that the Delta SOC values were significantly lower under LWB and HWB than those under WP addition alone and adding the mixture of WP and red clay (p < 0.05). Moreover, partial least squares path modeling analysis showed that the hydro-physical properties of the two improved soils inhibited SOC mineralization (p > 0.05), whereas particulate organic carbon (POC) content significantly accelerated SOC mineralization (p < 0.01). The synergistic effect of clay materials increased mineral-associated organic carbon (MAOC), which was beneficial to maintain the long-term effectiveness of WP. Overall, our results demonstrated that the synergistic use of WP and bentonite enhanced the aggregate stability and hydro-physical properties of coarse soil and improved SOC storage capacity. These results provide scientific and th

关键词： mineral-associated organic carbon mineralization rate pore distribution soil texture soil water retention

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Comparative effects of four types of resistant starch on the techno-functional properties of low-fat meat emulsions

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FOOD CHEMISTRY 2025年第Pt 3期464卷 141881页

作者： wang, xi-xi Li, Shuo-meng wang, Jing Bao, Ke-xin Zhou, Zhong-kai Tianjin Univ Sci & Technol Coll Food Sci & Engn State Key Lab Food Nutr & Safety Tianjin 300457 Peoples R China Shihezi Univ Coll Food Sci Shihezi 832003 Xinjiang Peoples R China Charles Sturt Univ Gulbali Inst Agr Water Environm Wagga Wagga NSW 2678 Australia

The behavior of resistant starch (RS) in meat matrix depends largely on its type. Hence, the comparative impacts of high amylose corn starch (RS2), retrograded starch (RS3), acetylated starch (RS4) and high amylose-lauric acid complex (RS5) on water-fat binding capacities, texture, color and microstructure of low-fat meat emulsions were investigated. Four types of RS improved water retention, emulsion stability, textural properties and brightness of low-fat meat emulsions, displaying even better potential than inulin (positive control). Compared with inulin, RS2 similar to RS5 induced the transition from free water to immobilized water, increased storage modulus G ' (by 21.90 %, 38.13 %, 55.73 % and 45.92 %, respectively), hydrophobic interactions (by 36.03 %, 60.84 %, 44.40 % and 48.04 %, respectively), disulfide bonds and beta-sheet, which promoted the formation of tight protein gel networks. Notably, physical or chemical modified RS (RS3, RS4, RS5) displayed preferable and more similar water-fat binding properties, making them more promising for personalized application in low-fat functional meat products.

关键词： Modified starch Different types Meat batters Quality attributes Microstructure

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Tailoring nanomaterials towards global One Health: a promising nano-strategy against antibiotic resistance

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ENVIRONMENTAL SCIENCE-NANO 2025年第3期12卷 1801-1808页

作者： Chen, Feiran Zhang, Shuhan wang, xi wang, Zhenyu Jiangnan Univ Inst Environm Proc & Pollut Control Wuxi 214122 Peoples R China Jiangnan Univ Sch Environm & Ecol Wuxi 214122 Peoples R China Nanjing Forestry Univ Coll Forestry & Grassland Nanjing 210037 Peoples R China

The management of antibiotic resistance gene (ARG) contamination in soil-plant systems is a critical area of research with significant implications for public health and environmental sustainability. Recently, engineered nanomaterials (ENMs) have been developed to enhance plant growth and address the global food crisis. Studies on the effects of nanomaterials mostly indicate an increase in the spread of antibiotic resistance, while emerging findings reveal the potential of ENMs in mitigating ARG pollution. Unlike existing mechanisms such as adsorption, DNA damage, and microbial disinfection involved in ARG removal, ENMs are specifically modified (e.g., with particular chemical compositions or surface charge adjustment) to inhibit the transfer of ARGs and migration of antibiotic-resistant bacteria. The integration of ENMs with advanced technologies (e.g., CRISPR gene editing) holds great promise for remediating antibiotic resistance in soil-plant systems. Here, we provide an overview of ENM-ARG interactions and propose applications of tailored ENMs to inhibit ARG dissemination during the development of nano-enabled agriculture, addressing major challenges and directions for optimizing the efficacy and safety of ENM-based strategies for mitigating ARG contamination in agriculture.

关键词： Nanoclay

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Vibration Transfer Function of Railway Vehicle System and its Spatial Coherence Under Vertical Track Irregularity Conditions

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CHINESE JOURNAL OF MECHANICAL ENGINEERING 2025年第1期38卷 1-20页

作者： Lu, Peng wang, xi Hou, Yu Beijing Jiaotong Univ State Key Lab Adv Rail Autonomous Operat Beijing 100044 Peoples R China Beijing Jiaotong Univ Frontiers Sci Ctr Smart High Speed Railway Syst Beijing 100044 Peoples R China Beijing Jiaotong Univ Sch Mech Elect & Control Engn Beijing 100044 Peoples R China

Current research on rail vehicle system vibrations primarily relies on numerical methods, with vibration transfer functions commonly derived through data fitting. However, the physical mechanisms underlying these vibrations are not well understood. To clarify the vibration transfer function and its characteristics, four basic input vectors are defined, and an analytical method is proposed. The vibration transfer functions of the vehicle system are solved, and their spatial coherence is analyzed. The results show that there are two spatial scales and four coherent modes in the vehicle system. The track irregularity wavelengths are combined with two spatial scales to alter the proportions of basic input vectors and then show the characteristics of spatial coherence. Four coherent modes are involved in wheel-rail force and primary suspension force;two coherent modes are involved in bogie vertical motion;and their dominant modes vary with the input frequency. On the other hand, the coherent modes involved in the bogie pitching motion and vehicle body motion are single and fixed over the whole range of frequency. This study presents an analytical method for the rapid solution of dynamic responses in vehicle systems and systematically analyzes the coherence behavior of vibration transfer functions with respect to tracking irregularity wavelengths.

关键词： Vertical track irregularity Vibration transfer function Spatial coherence Dominant mode Transfer matrix method

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Design of multi-hidden-layer Bayesian neural networks for model updating

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ADVANCES IN STRUCTURAL ENGINEERING 2025年第5期28卷 952-972页

作者： He, Yuxuan Yin, Tao wang, xi Wuhan Univ Sch Civil Engn Wuhan 430072 Peoples R China

Structural health monitoring (SHM) based on artificial neural networks (ANN) has received a lot of attention in recent decades, especially the Bayesian neural network (BNN) approach, which is more robust to noise for training and generalization. Since building a high-quality BNN architecture suitable for a specific task depends highly on user experience, the existing literature generally studies BNNs with simple single-hidden-layer architectures designed by empirical formulas or very few tailor-made algorithms. Multiple hidden layer BNN (MBNN) has a more complex architecture than single hidden layer BNN (SBNN) and is expected to achieve better generalization performance for complex problems. But the corresponding architectural design problem is much more complex, and there is no previous experience in the literature. To achieve this for MBNN, this paper proposes two feasible algorithms to optimize the number of neurons in each hidden layer simultaneously, where a logarithmic evidence metric is introduced to quantitatively characterize the performance of MBNN for a given multi-hidden-layer architecture. The feasibility and effectiveness of the proposed method are verified by the finite element (FE) model updating of both a planar truss model and a real-life pedestrian bridge. The verification results show that the second algorithm is much more computationally efficient for the optimal design of the MBNN architecture and has the potential for practical application.

关键词： structural health monitoring FE model updating multi-hidden-layer Bayesian neural network architecture design pedestrian bridge

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Cobalt-Catalyzed Hydroglycosylation of Alkynes for the Synthesis of Vinyl α-C-Glycosides

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ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2025年第11期64卷 e202423631页

作者： wang, Jia-xi Yao, Yuan wang, Yingwei Niu, Dawen Sichuan Univ West China Hosp Dept Emergency State Key Lab Biotherapy 17 Renmin Nan Rd Chengdu 610041 Peoples R China Sichuan Univ Sch Chem Engn 17 Renmin Nan Rd Chengdu 610041 Peoples R China Sichuan Univ West China Hosp Dept Nucl Med Lab Clin Nucl Med Chengdu 610041 Peoples R China

Herein we report a cobalt-catalyzed hydroglycosylation of terminal alkynes, employing bench-stable ortho-iodobiphenyl (oIB) substituted sulfides as glycosyl donors. This reaction occurs with high stereo- and regioselectivity to afford E-configured vinyl alpha-C-glycosides, a class of compounds nontrivial to access by previous methods. The use of a bis(oxazoline) ligand with bulky side chains is critical for the high selectivities observed. Aryl iodides have not been used previously as surrogates for alkyl (glycosyl) electrophiles in Co-H catalyzed reactions. The transformation features mild reaction conditions, simple reagents, and broad substrate scope. This method can be applied to the derivatization of bioactive compounds and the preparation of naturally occurring products. Mechanistic studies suggest this stereoconvergent process involves glycosyl radicals as key reaction intermediates.

关键词： C-glycosides glycosyl radicals hydroglycosylation cobalt catalysis

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Investigation on the efficacy of water-soluble polymer in reducing drag using a revolving disk apparatus

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JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY 2025年

作者： wang, xi wang, Jialing Xu, Zhengyi Shao, Yawei wang, Yanqiu wang, Junyi Harbin Engn Univ Mat Sci & Chem Engn Coll Harbin Peoples R China

Lowering ship resistance is crucial in the marine sector. While past research has mostly examined drag reduction techniques including changing the structure and implementing microbubble technology, there is still a need to investigate the drag reduction potential of polymer additives in ships. This paper draws inspiration from the natural phenomenon of fish secreting mucus from their skin to reduce drag. The purpose of this study is to study the environmentally friendly water-soluble polymers such as hydroxypropyl methyl cellulose (HPMC) to simulate fish body surface mucus for use in ship drag reduction, and to explore its drag reduction effect and drag reduction mechanism. The drag reduction and rheological testing of solutions containing varying concentrations of HPMC were conducted using a rotating disk device and a rheometer. The drag reduction rate of the HPMC solution exhibited an initial increase followed by a subsequent decline as the concentration increased. The highest observed drag reduction rate was 58% at a concentration of 300 ppm. The HPMC solution exhibited the highest elastic modulus and the biggest thixotropic ring area at a concentration of 300 ppm.

关键词： Drag reduction cellulose rheology concentration of polymer

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A design framework for high-fidelity human-centric digital twin of collaborative work cell in Industry 5.0

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JOURNAL OF MANUFACTURING SYSTEMS 2025年 80卷 140-156页

作者： wang, Tianyu Liu, Zhihao wang, Lihui Li, Mian wang, xi Vincent Shanghai Jiao Tong Univ UM SJTU Joint Inst Shanghai Peoples R China KTH Royal Inst Technol Dept Prod Engn Stockholm Sweden Shanghai Jiao Tong Univ Global Inst Future Technol Shanghai Peoples R China

Digital Twin (DT) of a manufacturing system mainly involving materials and machines has been widely explored in the past decades to facilitate the mass customization of modern products. Recently, the new vision of Industry 5.0 has brought human operators back to the core part of work cells. To this end, designing human-centric DT systems is vital for an ergonomic and symbiotic working environment. However, one major challenge is the construction and utilization of high-fidelity digital human models. In the literature, preset universal human avatar models such as skeletons are mostly employed to represent the human operators, which overlooks the individual differences of physical traits. Besides, the fundamental utilization features such as motion tracking and procedure recognition still do not well address the practical issues such as occlusions and incomplete observations. To deal with the challenge, this paper proposes a systematic design framework to quickly and precisely build and utilize the human-centric DT systems. The mesh-based customized human operator models with rendered appearances are first generated within one minute from a short motion video. Then transformer-based deep learning networks are developed to realize the motion-related operator status synchronization in complex conditions. Extensive experiments on multiple real-world human-robot collaborative work cells show the superior performance of the proposed framework over the state-of-the-art.

关键词： Human-centric digital twin High-fidelity digital human Motion tracking Procedure recognition Human-robot collaborative work cells

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Proton transport in unsintered BaCe_(0.8)Y_(0.2)O_(3-α) for easily prepared electrochemical devices

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Journal of Rare Earths 2025年第1期43卷 133-145,I0006页

作者： xi wang Yushi Ding Ying Li Gaopeng Zhou Wenlong Huang Liaoning Key Laboratory for Metallurgical Sensor Material and Technology School of MetallurgyNortheastern UniversityShenyang110819China

BaCe_(0.8)Y_(0.2)O_(3)-αceramics exhibit superior conductivity among related ***,the hightemperature sintering makes it difficult to prepare electrochemical devices with a BaCe_(0.8)Y_(0.2)O_(3)-αmultilayer film,and very few studies have examined the conductivity and transport properties of unsintered BaCe_(0.8)Y_(0.2)O_(3)-α.In nominally dry conditions,the instability of this material in a watercontaining atmosphere can be minimized,allowing the unsintered BaCe_(0.8)Y_(0.2)O_(3)-αto be applied in some particular test environment as a component of electrochemical ***,the conductivity of unsintered BaCe_(0.8)Y_(0.2)O_(3)-αin dry conditions was measured via AC impedance spectroscopy in the temperature range of 500-800℃.The unsintered BaCe_(0.8)Y_(0.2)O_(3)-αexhibits high conductivity and hydration ability,as well as low proton activation *** addition,it shows high oxygen vacancy and low proton transport numbers at high temperature,limited by its grain *** work provides insights into the conductivity and proton transport of unsintered BaCe_(0.8)Y_(0.2)O_(3)-αand demonstrates its potential as a proton-conducting electrolyte.

关键词： Protonic conductor Unsintered material BaCe_(0.8)Y_(0.2)0^(3-α) Conductivity Transport number Rare earths

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