Search

Abstract Forecasting all components in complex systems is an open and challenging task, possibly due to high dimensionality and undesirable predictors. We bridge this gap by proposing a data-driven and model-free framework, namely, feature-and-reconstructed manifold mapping (FRMM), which is a combination of feature embedding and delay embedding. For a high-dimensional dynamical system, FRMM finds its topologically equivalent manifolds with low dimensions from feature embedding and delay embedding and then sets the low-dimensional feature manifold as a generalized predictor to achieve predictions of all components. The substantial potential of FRMM is shown for both representative models and real-world data involving Indian monsoon, electroencephalogram (EEG) signals, foreign exchange market, and traffic speed in Los Angeles Country. FRMM overcomes the curse of dimensionality and finds a generalized predictor, and thus has potential for applications in many other real-world systems.

Not available.

This study aims to employ a causal network model based on transfer entropy for the early warning of systemic risk in commodity markets. We analyzed the dynamic causal relationships of prices for 25 commodities related to China (including futures and spot prices of energy, industrial metals, precious metals, and agricultural products), validating the effect of the causal network structure among commodity markets on systemic risk. Our research results identified commodities and categories playing significant roles, revealing that industry and precious metal markets possess stronger market information transmission capabilities, with price fluctuations impacting a broader range and with greater force on other commodity markets. Under the influence of different types of crisis events, such as economic crises and the Russia–Ukraine conflict, the causal network structure among commodity markets exhibited distinct characteristics. The results of the effect of external shocks to the causal network structure of commodity markets on the entropy of systemic risk suggest that network structure indicators can warn of systemic risk. This article can assist investors and policymakers in managing systemic risk to avoid unexpected losses.

Achieving effective control over microbial contamination necessitates the precise and concurrent identification of numerous pathogens. As a common bacterium in the environment, Pseudomonas is rich in variety. It not only has pathogenic strains, but also spoilage bacteria that cause food spoilage. In this research, we devised a remarkably sensitive duplex droplet digital PCR (dddPCR) reaction system to simultaneously detect pathogenic Pseudomonas aeruginosa (P. aeruginosa) and spoilage Pseudomonas fragi (P. fragi). By employing comparative genomics, we identified four genes of P. fragi. Through a specific analysis, the RS22680 gene was selected as the detection target for P. fragi, and the lasR gene was chosen for P. aeruginosa, which were applied to construct a dddPCR reaction. In terms of specificity, sensitivity and anti-interference ability, the constructed dddPCR detection system was verified and analyzed. The assay showed excellent sensitivity and applicability, as evidenced by a limit of detection of 100 cfu/mL. When the concentration of natural background bacteria in milk or fresh meat was 100 times that of the target detection bacteria, the method was still capable of completing the absolute quantification. In the simulation of actual sample contamination, P. aeruginosa could be detected after 3 h of enrichment culture, and P. fragi could be detected after 6 h. The established dddPCR detection system exhibits exceptional performance, serving as a foundation for the simultaneous detection of various pathogenic bacteria in food products.

Water shortages are the main factor restricting the survival and construction of shelterbelts in sandy areas. Comprehensive analysis of the water balance characteristics of forest stands is crucial for scientifically understanding and regulating the water supply of shelterbelts in sandy areas and formulating appropriate vegetation cultivation and restoration strategies. We simultaneously monitored outer-forest precipitation, canopy interception, stemflow, throughfall, forest transpiration, understory evapotranspiration, and soil moisture content changes in the Salix forest in the Kubuqi Desert during the main growing season (June–October) of 2022. The results showed that the total evapotranspiration of the forest was 185.62 mm, and the components and their proportions of precipitation during the same period were as follows: forest floor evapotranspiration, 94.43 mm (35.88%); stand transpiration, 68.34 mm (25.97%); and canopy interception, 22.85 mm (8.68%). Based on the water balance of the 0–60 cm soil layer and by integrating the changes in soil water storage and the influence of external water transport, the net runoff of the forestland was calculated to be approximately 77.58 mm; that is, the water balance requirements for growth were met. In the future, appropriate irrigation and supplementation can be carried out in June and July to ensure healthier growth in the shelterbelt, and plant photosynthesis and internal physiology can be further studied for cultivation in other desert areas.

Background Linked colour imaging (LCI) is a novel new image-enhanced endoscopy (IEE) technology that produces bright and vivid images. The aim of this study was to assess the ability of LCI to improve the diagnostic accuracy of early gastric cancer (EGC) relative to white light imaging (WLI).Materials and methods We performed this study on patients undergoing screening endoscopy from 12 medical institutions in China. Patients were randomly assigned to receive WLI followed by LCI or LCI followed by WLI. The primary outcome was to compared the diagnostic accuracy between LCI and WLI for EGC/high-grade intraepithelial neoplasms. Secondary outcomes included the numbers of suspicious lesions, neoplastic lesions and examination time by using LCI detected versus using WLI.Results A total of 1924 patients were randomly selected, and 1828 were included in the analysis. The diagnostic accuracy for EGC, which was 78.8% by using LCI and 68.4% by using WLI (p

Along with the growing demand and improving diet, the agricultural sector faces challenges in balancing resource consumption, environmental impacts and yields. This study presents an extended exergy accounting to capture the changing characteristics of the usefulness of resources in the agricultural sector of Hebei Province during 2000–2018 from thermodynamics perspective. The accounting includes exergy fluxes of energy, materials, environmental remediation, labor, capital and yields quantified by joules. The agricultural sector of Hebei Province comprising the cropping, forestry, stockbreeding and fishery sub industries, has experienced transformation into a modern pattern. The results showed that (1) the extended exergy in the agricultural sector of Hebei Province exhibited a declining trend; the natural resource exergy, particularly energy exergy, dominated the investments in the sector. (2) The capital exergy, labor exergy and environmental remediation exergy all decreased; the capital exergy and labor exergy decreased more than the environmental remediation exergy. The shares of the labor exergy from the services of agriculture declined, while those of the labor exergy from forestry and stockbreeding notably increased. (3) Since the cropping accounts for a large part of the yields, the large quantity of crop residues should be considered seriously. The potential of the other three sub industries was very high. The comparison between the agricultural sector in Hebei Province and that in China as a whole involving exergy indicators showed that Hebei Province was more modernized and had achieved great progresses. Extended exergy accounting captures the agro ecological economic system to help identify resource depletion and environmental costs in other areas or industries from a sustainable development perspective.

Abstract Background Cancer metastasis is the main cause of mortality in cancer patients. However, the drugs targeting metastasis processes are still lacking, which is partially due to the short of effective in vitro model for cell invasion studies. The traditional 2-D culture method cannot reveal the interaction between cells and the surrounding extracellular matrix during invasion process, while the animal models usually are too complex to explain mechanisms in detail. Therefore, a precise and efficient 3-D in vitro model is highly desirable for cell invasion studies and drug screening tests. Methods Precise micro-fabrication techniques are developed and integrated with soft hydrogels for constructing of 3-D lung-cancer micro-environment, mimicking the pulmonary gland or alveoli as in vivo. Results A 3-D in vitro model for cancer cell culture and metastasis studies is developed with advanced micro-fabrication technique, combining microfluidic system with soft hydrogel. The constructed microfluidic platform can provide nutrition and bio-chemical factors in a continuous transportation mode and has the potential to form stable chemical gradient for cancer invasion research. Hundreds of micro-chamber arrays are constructed within the collagen gel, ensuring that all surrounding substrates for tumor cells are composed of natural collagen hydrogel, like the in vivo micro-environment. The 3-D in vitro model can also provide a fully transparent platform for the visual observation of the cell morphology, proliferation, invasion, cell-assembly, and even the protein expression by immune-fluorescent tests if needed. The lung-cancer cells A549 and normal lung epithelial cells (HPAEpiCs) have been seeded into the 3-D system. It is found out that cells can normally proliferate in the microwells for a long period. Moreover, although the cancer cells A549 and alveolar epithelial cells HPAEpiCs have the similar morphology on 2-D solid substrate, in the 3-D system the cancer cells A549 distributed sparsely as single round cells on the extracellular matrix (ECM) when they attached to the substrate, while the normal lung epithelial cells can form cell aggregates, like the structure of normal tissue. Importantly, cancer cells cultured in the 3-D in vitro model can exhibit the interaction between cells and extracellular matrix. As shown in the confocal microscope images, the A549 cells present round and isolated morphology without much invasion into ECM, while starting from around Day 5, cells changed their shape to be spindle-like, as in mesenchymal morphology, and then started to destroy the surrounding ECM and invade out of the micro-chambers. Conclusions A 3-D in vitro model is constructed for cancer cell invasion studies, combining the microfluidic system and micro-chamber structures within hydrogel. To show the invasion process of lung cancer cells, the cell morphology, proliferation, and invasion process are all analyzed. The results confirmed that the micro-environment in the 3-D model is vital for revealing the lung cancer cell invasion as in vivo.

BackgroundAs the most common arrhythmia, atrial fibrillation (AF) is associated with a significantly increased risk of stroke, which causes high disability and mortality. To date, the underlying mechanism of stroke occurring after AF remains unclear. Herein, we studied hub genes and regulatory pathways involved in AF and secondary stroke and aimed to reveal biomarkers and therapeutic targets of AF-related stroke.MethodsThe GSE79768 and GSE58294 datasets were used to analyze AF- and stroke-related differentially expressed genes (DEGs) to obtain a DEG1 dataset. Weighted correlation network analysis (WGCNA) was used to identify modules associated with AF-related stroke in GSE66724 (DEG2). DEG1 and DEG2 were merged, and hub genes were identified based on protein-protein interaction networks. Gene Ontology terms were used to analyze the enriched pathways. The GSE129409 and GSE70887 were applied to construct a circRNA-miRNA-mRNA network in AF-related stroke. Hub genes were verified in patients using quantitative real-time polymerase chain reaction (qRT-PCR).ResultsWe identified 3,132 DEGs in blood samples and 253 DEGs in left atrial specimens. Co-expressed hub genes of EIF4E3, ZNF595, ZNF700, MATR3, ACKR4, ANXA3, SEPSECS-AS1, and RNF166 were significantly associated with AF-related stroke. The hsa_circ_0018657/hsa-miR-198/EIF4E3 pathway was explored as the regulating axis in AF-related stroke. The qRT-PCR results were consistent with the bioinformatic analysis.ConclusionsHub genes EIF4E3, ZNF595, ZNF700, MATR3, ACKR4, ANXA3, SEPSECS-AS1, and RNF166 have potential as novel biomarkers and therapeutic targets in AF-related stroke. The hsa_circ_0018657/hsa-miR-198/EIF4E3 axis could play an important role regulating the development of AF-related stroke.

The goal of this study was to establish a comprehensive growth index (CGI) of grassland vegetation for monitor the overall condition of the grassland. Taking the desert grassland in Otuoke Banner, Ordos City, Inner Mongolia as the research object, this study integrates five indicators. First, the optimal band of the unmanned aerial vehicle hyperspectral data is optimized using the correlation analysis, successive projection algorithm (SPA), optimum index factor method, and band combination index method. A dual-band spectral index in good correlation with the CGI is then constructed in the optimal band. Afterwards, a CGI characterization model is established in accordance with the partial least squares regression (PLSR) algorithm and its accuracy is analyzed. Finally, the CGI of the study area is estimated. The experimental results are as follows. 1) The R2 of models built using the training samples of the spectral indices corresponding to the optimal spectra screened by the SPA method was 0.7835, RMSE was 0.0712, and RE was 6.89%, less than 10%. The R2 of the Validation samples was 0.7698, RMSE was 0.0471, and RE was 6.36%, less than 10%, highest precision. 2) Models were built using the spectral indices corresponding to the optimal spectra screened by the SPA method, and the CGI mean values were inverted. A comparison of the mean measured CGI values of the sample quadrat of the test area showed that the mean relative error was 3.82%. The results show that the vegetation growth of desert-steppe grasslands can be adequately monitored, providing technical support for the rapid and accurate diagnosis of grassland conditions. However, there are still shortcomings in this study. 1) The research area for this study was mainly in the desert steppe in Otuoke Banner, Ordos, hence the relevance and universality of the findings need to be verified, and subsequent experiments need to be carried out on desert steppes in other regions or even other types of grasslands to test the universality of the model. 2) In this study, the influence of soil background and litter on the spectral reflectance is not considered in depth. In addition, the influence of sensor observation angle and solar elevation angle on the inversion model demands further investigation efforts.

The goal of this study was to investigate the soil particle-size distribution (PSD) and pore structure characteristics in the Kubuqi Desert in order to provide basic data for gaining insights into the soil-modifying properties of the local vegetation. Based on laser diffraction analysis, we measured the soil PSD and calculated the single and multi-fractal dimensions of the soils under typical artificial forest and natural grassland vegetation. The diameters, volumes and surface areas of the soil pores were determined via nitrogen adsorption experiments. The relationships between the fractal characteristics and pore structure parameters of the soil were investigated via redundancy analysis and stepwise regression. The clay content was less than 2.0%, and the sand content was greater than 75.0%. There was variability in the PSD and fractal dimension, which was mainly observed for the 0–20 cm, 20–80 cm, and 80–100 cm soil layers. In the 0–80 cm, the fine particle content, single fractal dimension (D), entropy dimension (D1), ratio of D1 to the capacity dimension (D1/D0), and correlation dimension (D2) were smaller for the forest soils than for the grassland soils. The fine particle (clay and silt) content of the 80–100 cm soil layer was approximately 37.8% higher for the Salix psammophila-8a than for the Salix psammophila-3a, and it was approximately 161.4% higher for the Populus popular-35a than for the Pinus sylvestris var. mongolica-8a. The silt content, D1, D1/D0, and D2 were significantly positively correlated with the specific surface area (SSA), total pore volume (TPV), and average pore diameter (APD) of the nanopores (p < 0.05, 0.01, or 0.001), and they were significantly negatively correlated with the percentage of the micropore volume (PMV) (p < 0.05 or 0.01). In the Kubuqi Desert, the fine particle content and fractal dimensions of the soil layer below the root zone of shrub and arbor vegetation increased with increasing stand age, but the trend was reversed in the shallower soil layers. The variability of the soil PSD characteristics was strongly correlated with the variability of the nanopore parameters on the microscopic scale, suggesting that the total pore volume, average pore diameter, and percentage of the micropore volume may be potential indicators of the soil structure and quality.

Amidst climate change, managing water and vegetation adaptability is vital in ecology and agriculture. Salix psammophila is key in deserts, maintaining ecological balance and combating desertification. Understanding its surface condensation and response to weather is critical for survival. This study aims to investigate the formation patterns of surface condensation water under S. psammophila at different irrigation levels and the influence of precipitation, temperature, relative humidity, and wind speed. Conducted in China’s Kubuqi Desert from June to September 2022, the study employed micro-lysimeters with four irrigation test sets and a control group, conducting detailed observations at various locations. The results indicate that S. psammophila significantly influences surface condensation water by blocking solar radiation and reducing wind speed. The drip irrigation system also regulates surface condensation water on S. psammophila. Moreover, meteorological factors such as 24 h maximum temperature, relative humidity difference, wind speed, and air vapor pressure deficit show significant correlations with surface condensation water formation. In conclusion, this study enhances the understanding of desert ecosystem water balance, vegetation adaptability, and efficient water resource utilization. It provides valuable scientific guidance for the conservation and restoration of desert ecosystems.

Abstract Background Esophagogastroduodenoscopy is very useful in diagnosing and treating upper gastrointestinal mucosal disorders, but too much foam and water in stomach decrease its diagnostic efficiency. Simethicone administration can help remove excessive foam. Aims To determine the optimal simethicone administration strategies in a comparative randomized controlled clinical trial. Methods Adult outpatients with indications for esophagogastroduodenoscopy were enrolled and randomly divided into group 1 (simethicone solution intake 20–30 min before procedure, n = 110), group 2 (simethicone solution intake 31–60 min before procedure, n = 92), and group 3 (simethicone solution intake > 60 min before procedure). Primary and secondary outcomes were procedure time and the patients’ satisfaction after the examination. All symptoms like abdominal pain and distension were recorded. Results No statistically significant differences were found on the patients’ demographic and clinical features and mean examination time (all P values > 0.05). The distribution of patients with different endoscopic and pathological diagnosis was comparable among three groups, respectively (P = 0.607; P = 0.289). However, the proportion of patients with Gastric Cleanness Grade A was most in group 2 (n = 73, 79.3%), and patient proportion with Gastric Cleanness Grade C was most found in group 1 (n = 72, 65.5%), which was greatly different (P < 0.001). There was no statistically significant difference on the satisfaction scores [immediately 6 (3–8) vs. 6 (1–10) vs. 6 (1-9), P = 0.533; 2 h after 10 (8–10) vs. 10 (10–10) vs. 10 (8-10), P = 0.463]. Conclusion Simethicone solution intake 31–60 min before esophagogastroduodenoscopy can help obtain the best gastric cleanness, which is recommended in clinical practice (registered at ClinicalTrials.gov, NCT03776916 on December 13, 2018).

Abstract Background Cardiac arrest (CA) is a leading cause of death worldwide. Even after successful cardiopulmonary resuscitation (CPR), the majorities of survivals are companied with permanent myocardial and cerebral injury. Hydrogen sulfide (H2S) has been recognized as a novel gasotransmitter exerting multiple organ protection; however, the lacks of ideal H2S donors which can controlled release H2S to targeted organs such as heart and brain limits its application. Results This work utilized mesoporous iron oxide nanoparticle (MION) as the carriers of diallyl trisulfide (DATS), with polyethylene glycol (PEG) and lactoferrin (LF) modified to MIONs to acquire the prolonged circulation time and brain-targeting effects, and a novel targeted H2S releasing system was constructed (DATS@MION-PEG-LF), which exhibited excellent biocompatibility, controlled-releasing H2S pattern, heart and brain targeting features, and the ability to be non-invasive traced by magnetic resonance imaging. DATS@MION-PEG-LF presented potent protective effects against cerebral and cardiac ischemic injury after CA in both in vitro hypoxia/reoxygenation models and in vivo CA/CPR models, which mainly involves anti-apoptosis, anti-inflammatory and anti-oxidant mechanisms. Accordingly, the cardiac and cerebral functions were obviously improved after CA/CPR, with potentially improved survival. Conclusions The present work provides a unique platform for targeted controlled release of H2S based on MIONs, and offers a new method for combinational myocardial and cerebral protection from ischemic injury, bringing considerable benefits for CA patients.

Carbon materials derived from natural biomaterials have received increasing attention because of their low cost, accessibility, and renewability. In this work, porous carbon (DPC) material prepared from D-fructose was used to make a DPC/Co3O4 composite microwave absorbing material. Their electromagnetic wave absorption properties were thoroughly investigated. The results show that the composition of Co3O4 nanoparticles with DPC had enhanced microwave absorption (−60 dB to −63.7 dB), reduced the frequency of the maximum reflection loss (RL) (16.9 GHz to 9.2 GHz), and had high reflection loss over a wide range of coating thicknesses (2.78–4.84 mm, highest reflection loss

Abstract Gastric diseases are common in China, and gastroduodenoscopy could provide accurate diagnoses. Our previous study verified that linked colour imaging (LCI) can improve endoscopic diagnostic accuracy. This study aimed for the first time to establish an LCI-based endoscopic model called colour-microstructure-vessel (CMV) criteria and validated its clinical feasibility for detecting distal gastric diseases manifested as red mucosal lesions under endoscopy in a cohort of 62 patients. Colour features were extracted from the endoscopic images and categorized into 3 types. Colour type 1 was a typical red; Colour type 2 was red ringed with purple and Colour type 3 was red with yellow in the centre and purple around the periphery, allowing for predicting chronic nonatrophic gastritis, chronic atrophic gastritis and gastric cancer. The sensitivity, specificity and Youden index of Colour type 3 with abnormal M or V for gastric cancer were 100.0%, 98.2% and 98.2%. The kappa values for intra-observer and inter-observer agreement for predicting the pathology were 0.834 and 0.791 for experienced endoscopists and 0.788 and 0.732 for endoscopy learners, and these values were comparable regardless of the experience of the endoscopists (P > 0.05). These findings support that the CMV criteria are a promising model for accurate endoscopic diagnosis.

Hydrogen sulfide (H2S) has been recognized as an important gasotransmitter exerting various physiological effects, especially in the cardiovascular system. Herein we investigated the cardioprotective effects of a novel long-term and slow-releasing H2S donor, DATS-MSN, using in vivo myocardial ischemia/reperfusion (I/R) models and in vitro hypoxia/reoxygenation cardiomyocyte models. Unlike the instant-releasing pattern of sodium hydrosulphide (NaHS), the release of H2S from DATS-MSN was quite slow and continuous both in the cell culture medium and in rat plasma (elevated H2S concentrations during 24 h and 72 h reperfusion). Correspondingly, DATS-MSN demonstrated superior cardioprotective effects over NaHS in I/R models, which were associated with greater survival rates, reduced CK-MB and troponin I levels, decreased cardiomyocyte apoptosis index, increased antioxidant enzyme activities, inhibited myocardial inflammation, greater reduction in the infarct area and preserved cardiac ejection fraction. Some of these effects of DATS-MSN were also found to be superior to classic slow-releasing H2S donor, GYY4137. In in vitro experiments, cardiomyocytes injury was also found to be relived with the use of DATS-MSN compared to NaHS after the hypoxia/reoxygenation processes. The present work provides a novel long-term and slow-releasing H2S donor and an insight into how the release patterns of H2S donors affect its physiological functionality.

Background and study aims There is a high prevalence of Helicobacter pylori infection. White light endoscopy (WLE) can be used for evaluating the mucosal lesions, but it does not have high diagnostic efficiency. Linked color imaging (LCI) is a newly developed endoscopic imaging technique. The aim of this study was to compare LCI with WLE in detecting and staging H. pylori infection in the stomach in a randomized controlled clinical trial. Patients and methods A total of 253 patients who had indications for gastroduodenoscopy were enrolled and randomized into Group A (n = 127), who underwent WLE followed by LCI, and Group B (n = 126), who underwent LCI followed by WLE. Clinical data were collected and the diagnostic accuracy of WLE and LCI was calculated and compared. Results The overall diagnostic accuracy of WLE and LCI for H. pylori infection was 31.5 % (n = 40) and 50.4 % (n = 64) in Group A (P = 0.001), and 36.5 % (n = 46) and 49.2 % (n = 62) in Group B (P = 0.029). In both groups, LCI had higher sensitivity, specificity, and Youden index scores than WLE. Four stages were defined in the course of H. pylori infection in the stomach. LCI staging results were more highly consistent with pathological staging than were WLE staging results (kappa value 0.772 vs. 0.516). The LCI observations were closely correlated with the pathology. Conclusion LCI had a higher diagnostic efficacy for H. pylori infection in the stomach. Endoscopic color features under LCI can help to stage and profile H. pylori-associated gastritis.

Background: Lectin-like oxidized low-density lipoprotein receptor-1 (LOX-1) has been shown to play an important role in cardiac remodeling under different pathologic conditions. The role of genetic polymorphisms in the LOX1 gene, however, remains unclear in the development of left ventricular hypertrophy (LVH) for patients with hypertension. Methods: A total of 536 patients diagnosed with essential hypertension (EH) were recruited in this study. Patients were assigned to the LVH+ (n=143) and LVH- (n=393) groups, respectively. The serum LOX1 level was measured and three single nucleotide polymorphisms (SNPs), i.e. intron 4 (G→A), intron 5(T→G), and 3′ UTR (T→C) of the LOX1 gene were genotyped. Results: The genotype frequencies of intron 4 G>A and 3′UTR T>C were not significantly different between the LVH+ and LVH- groups (both P>0.05), however, frequencies of 501G>C were significantly different between those two groups (P=0.007). The 501CC genotype carriers had a markedly higher serum LOX1 level and an increased risk to develop LVH (adjusted OR=2.444, adjusted P=0.002). There was a positive correlation between serum LOX1 level and left ventricular mass index (r=0.907, PConclusion: Our data suggest that both the 501>C SNP in the LOX1 gene and the serum LOX1 level may be used to predict the development of LVH among EH patients.

Nanoscale particles have become promising materials in many fields, such as cancer therapeutics, diagnosis, imaging, drug delivery, catalysis, as well as biosensors. In order to stimulate and facilitate these applications, there is an urgent need for the understanding of the interaction mode between the nano-particles and proteins. In this study, we investigate the orientation and adsorption between several enzymes (cytochrome c, RNase A, lysozyme) and 4 nm/11 nm silica nanoparticles (SNPs) by using molecular dynamics (MD) simulation. Our results show that three enzymes are adsorbed onto the surfaces of both 4 nm and 11 nm SNPs during our MD simulations and the small SNPs induce greater structural stabilization. The active site of cytochrome c is far away from the surface of 4 nm SNPs, while it is adsorbed onto the surface of 11 nm SNPs. We also explore the influences of different groups (-OH, -COOH, -NH2 and CH3) coated onto silica nanoparticles, which show significantly different impacts. Our molecular dynamics results indicate the selective interaction between silicon nanoparticles and enzymes, which is consistent with experimental results. Our study provides useful guides for designing/modifying nanomaterials to interact with proteins for their bio-applications.