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Abstract In recent years, many governments and companies have gradually launched robotaxi projects to help make transportation systems smarter, improve travel efficiency, and reduce travel costs. Robotaxi is a new mode of travel that replaces human driving with machines, freeing up social labour and enriching people’s travel choices. This study employs the Extended Unified Theory of Acceptance and Use of Technology (UTAUT2) to understand the influencing factors of users’ adoption and usage of robotaxis in China to facilitate the broader integration of robotaxis into urban transportation systems. This study surveyed the preferences of 2048 respondents and analysed the data through structural equation modelling. The results indicate that performance expectancy, hedonic motivation, and price value are the factors influencing users’ behavioural intentions, while effort expectancy and social influence affect use behaviour. In contrast, habit is an important factor that affect both behavioural intention and actual use behaviour. Based on the findings, we have proposed practical strategies to improve robotaxi services and updated the UTAUT2 model in the context of robotaxi. We suggest that robotaxi operators can promote user acceptance and use by reducing the difficulty of use, improving the cost performance and the ride experience, and making appropriate publicity and guidance.

Abstract This paper proposes a textual analytics approach to the discovery of trends and variations in social development. Specifically, we have designed a linguistic index that measures the marked usage of gendered modifiers in the Chinese language; this predicts the degree of occupational gender segregation by identifying the unbalanced distribution of males and females across occupations. The effectiveness of the linguistic index in modelling occupational gender segregation was confirmed through survey responses from 244 participants, covering 63 occupations listed in the Holland Occupational Codes. The index was then applied to explore the trends and variations of gender equality in occupation, drawing on an extensive digital collection of materials published by the largest newspaper group in China for both longitudinal (from 1946 to 2018) and synchronic (from 31 provincial-level administrative divisions) data. This quantitative study shows that (1) the use of gendered language has weakened over time, indicating a decline in occupational gender stereotyping; (2) conservative genres have shown higher degrees of gendered language use; (3) culturally conservative, demographically stable, or geographically remote regions have higher degrees of gendered language use. These findings are discussed with consideration of historical, cultural, social, psychological, and geographical factors. While the existing literature on gendered language has been an important and useful tool for reading a text in the context of digital humanities, an innovative textual analytics approach, as shown in this paper, can prove to be a crucial indicator of historical trends and variations in social development.

Copyright of Rare Metals is the property of Springer Nature and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Rare Metals is the property of Springer Nature and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Organic–inorganic metal halides have recently garnered significant interest owing to their excellent photoluminescence performance and high stability. Therefore, a synthetic procedure was designed here to obtain (PPZ)ZnBr4 (PPZ = 1-phenylpiperazine) nanocrystals (NCs) incorporating Pb2+ and Sn2+ ions, obtaining blue and orange light emitters, respectively. Photoluminescence quantum yields of blue and orange emissions were up to 43.2% and 29.9%, respectively, under 365-nm excitation. The prepared NCs also demonstrated long-term stability and humidity resistance. This study not only provided a deep comprehension of low-dimensional perovskites, but also established an avenue for the strategic design of high-performance light-emitting perovskites. [ABSTRACT FROM AUTHOR]

Chordoma is a rare bone tumor that frequently recurs after surgery, and the prognosis is poor with current treatments. This study aimed to identify potential novel immunotherapeutic targets for chordomas by identifying target proteins in clinical samples as well as tumor microenvironmental factors to enhance efficacy. Fourteen chordoma samples were analyzed by single-cell RNA sequencing, and B7–H3 and IL-7 were identified as potential targets and potentiators, respectively. B7–H3-targeted chimeric antigen receptor T (CAR-T) cells and B7–H3 CAR-T cells expressing IL-7 were synthesized and their anti-tumor activity evaluated in vitro, including in primary chordoma organoid models. The B7–H3 CAR-T/IL-7 therapy showed enhanced cytotoxicity and prolonged duration of action against tumor cells. Additionally, IL-7 modulated favorable subpopulations of cultured CAR-T cells, diminished immune checkpoint expression on T-cell surfaces, and enhanced T-cell functionality. The incorporation of IL-7 molecules into the B7–H3 CAR structure augmented CAR-T-cell function and improved CAR-T-cell efficacy, thus providing a novel dual therapeutic strategy for chordoma treatment. [ABSTRACT FROM AUTHOR]

To realize space-sea integrated communication between multiple ships under the BeiDou-3 satellite communication topology, this paper proposes a new satellite-ship autonomous communication system based on a deep learning anomaly detection algorithm. A deep learning algorithm combining coarse-grained detection (piecewise oversampling principal component analysis, POsPCA) and fine-grained sorting (VAE and differential ARIMA joint model) was established to realize two-way autonomous communication between BeiDou-3 satellites and ships. Specifically, a segmented oversampling principal component analysis algorithm was proposed to analyze anomalous BeiDou-3 short message data segments in the coarse-grained detection stage. In the fine-grained sorting stage, a joint fusion reconstruction and prediction model was proposed to calculate the fine-grained anomaly score. The autonomous communication system establishes the communication priority of multiple ships based on this score. Using the experimental platform independently built for this study to verify the algorithm performance, the proposed algorithm effectively realizes the priority ranking of anomaly scores by detecting abnormal data segments, effectively saving 64.4% of BeiDou-3 satellite short message communication resources. [ABSTRACT FROM AUTHOR]

Revealing the heterogeneity among tissues is the greatest advantage of single-cell-sequencing. Marker genes not only act as the key to correctly identify cell types, but also the bio-markers for cell-status under certain experimental imputations. Current analysis methods such as Seurat and Monocle employ algorithms which compares one cluster to all the rest and select markers according to statistical tests. This pattern brings redundant calculations and thus, results in low calculation efficiency, specificity and accuracy. To address these issues, we introduce starTracer, a novel algorithm designed to enhance the efficiency, specificity and accuracy of marker gene identification in single-cell RNA-seq data analysis. starTracer operates as an independent pipeline, which exhibits great flexibility by accepting multiple input file types. The primary output is a marker matrix, where genes are sorted by the potential to function as markers, with those exhibiting the greatest potential positioned at the top. The speed improvement ranges by 2 ~ 3 orders of magnitude compared to Seurat, as observed across three independent datasets with lower false positive rate as observed in a simulated testing dataset with ground-truth. It's worth noting that starTracer exhibits increasing speed improvement with larger data volumes. It also excels in identifying markers in smaller clusters. These advantages solidify starTracer as an important tool for single-cell RNA-seq data, merging robust accuracy with exceptional speed. A novel marker gene search algorithm for single cell/nucleus RNA-seq improves speed by 2-3 orders of magnitude, greatly enhances accuracy, and substantially reduces false positive rates. [ABSTRACT FROM AUTHOR]

The rapid variation of influenza challenges vaccines and treatments, which makes an urgent task to develop the high-efficiency and low-toxicity new anti-influenza virus drugs. Selenium is one of the essential trace elements for the human body that possesses a good antiviral activity. In this study, we assessed anti-influenza A virus (H1N1) activity of polyethylene glycol (PEG)-modified gray selenium nanoparticles (PEG-SeNPs) on Madin-Darby Canine Kidney (MDCK) cells in vitro. CCK-8 assay showed that PEG-SeNPs had a protective effect on H1N1-infected MDCK cells. Moreover, PEG-SeNPs significantly reduced the mRNA level of H1N1. TUNEL-DAPI test showed that DNA damage reached a high level but effectively prevented after PEG-SeNPs treatment. Meanwhile, JC-1, Annexin V-FITC and cell cycle assay demonstrated the apoptosis induced by H1N1 was reduced greatly when treated with PEG-SeNPs. Furthermore, the downregulation of p-ATM, p-ATR and P53 protein, along with the upregualation of AKT protein indicated that PEG-SeNPs could inhibit H1N1-induced cell apoptosis through reactive oxygen species (ROS)-mediated related signaling pathways. Finally, Cytokine detection demonstrated PEG-SeNPs inhibited the production of pro-inflammatory factors after infection, including IL-1β, IL-5, IL-6, and TNF-α. To sum up, PEG-SeNPs might become a new potential anti-H1N1 influenza virus drug due to its antiviral and anti-inflammatory activity. [ABSTRACT FROM AUTHOR]

Taurine is a conditionally essential micronutrient and one of the most abundant amino acids in humans1–3. In endogenous taurine metabolism, dedicated enzymes are involved in the biosynthesis of taurine from cysteine and in the downstream metabolism of secondary taurine metabolites4,5. One taurine metabolite is N-acetyltaurine6. Levels of N-acetyltaurine are dynamically regulated by stimuli that alter taurine or acetate flux, including endurance exercise7, dietary taurine supplementation8 and alcohol consumption6,9. So far, the identities of the enzymes involved in N-acetyltaurine metabolism, and the potential functions of N-acetyltaurine itself, have remained unknown. Here we show that the body mass index associated orphan enzyme phosphotriesterase-related (PTER)10 is a physiological N-acetyltaurine hydrolase. In vitro, PTER catalyses the hydrolysis of N-acetyltaurine to taurine and acetate. In mice, PTER is expressed in the kidney, liver and brainstem. Genetic ablation of Pter in mice results in complete loss of tissue N-acetyltaurine hydrolysis activity and a systemic increase in N-acetyltaurine levels. After stimuli that increase taurine levels, Pter knockout mice exhibit reduced food intake, resistance to diet-induced obesity and improved glucose homeostasis. Administration of N-acetyltaurine to obese wild-type mice also reduces food intake and body weight in a GFRAL-dependent manner. These data place PTER into a central enzymatic node of secondary taurine metabolism and uncover a role for PTER and N-acetyltaurine in body weight control and energy balance.The orphan enzyme phosphotriesterase-related (PTER) is identified as a mammalian N-acetyltaurine hydrolase that has roles in regulating body weight and energy balance. [ABSTRACT FROM AUTHOR]

The inversion of substrate size specificity is an evolutionary roadblock for proteins. The Duf4243 dioxygenases GedK and BTG13 are known to catalyze the aromatic cleavage of bulky tricyclic hydroquinone. In this study, we discover a Duf4243 dioxygenase PaD that favors small monocyclic hydroquinones from the penicillic-acid biosynthetic pathway. Sequence alignments between PaD and GedK and BTG13 suggest PaD has three additional motifs, namely motifs 1-3, distributed at different positions in the protein sequence. X-ray crystal structures of PaD with the substrate at high resolution show motifs 1-3 determine three loops (loops 1-3). Most intriguing, loops 1-3 stack together at the top of the pocket, creating a lid-like tertiary structure with a narrow channel and a clearly constricted opening. This drastically changes the substrate specificity by determining the entry and binding of much smaller substrates. Further genome mining suggests Duf4243 dioxygenases with motifs 1-3 belong to an evolutionary branch that is extensively involved in the biosynthesis of natural products and has the ability to degrade diverse monocyclic hydroquinone pollutants. This study showcases how natural enzymes alter the substrate specificity fundamentally by incorporating new small motifs, with a fixed overall scaffold-architecture. It will also offer a theoretical foundation for the engineering of substrate specificity in enzymes and act as a guide for the identification of aromatic dioxygenases with distinct substrate specificities. The Duf4243 dioxygenases GedK and BTG13 are known to catalyze the aromatic cleavage of bulky tricyclic hydroquinone. Here, the authors discover a distinct Duf4243 dioxygenase PaD that favors small monocyclic hydroquinones from the penicillic-acid biosynthetic pathway and determine the structural basis for its changed substrate specificity. [ABSTRACT FROM AUTHOR]

Carbon emission accounting is an important basis for global climate governance. Based on the consumption-based accounting (CBA) method, the characteristics of carbon flow between national, regional, and product processes could be more clearly reflected. Therefore, CBA is more conducive to clarifying the attribution of responsibilities between producers and consumers, with the principles of fairness and justice. By accounting for carbon emissions in typical countries from 1990 to 2019, we found that the CBA emissions are higher than the production-based accounting (PBA) emissions in major developed countries, while the results are reversed for developing countries. In the past 30 years, the CBA emissions in targeted developed countries generally have shown a downward trend, while in developing countries, they have shown an upward trend. CBA emissions in China have shown a continuous growth trend from 1990 to 2019, but the pace has slowed down significantly over the last decade. Meanwhile, the embodied carbon intensity of China's exports continues to decline, indicating that China is providing more green and low-carbon products to the world. Taking the PV industry as an example, this study further reveals the contribution of specific product industries to the country's carbon transfer through product carbon footprint analysis. In order to provide a scientific basis for global mitigation and climate governance, it is urgent to innovate a scientific, practical, and standardized CBA technology system. [ABSTRACT FROM AUTHOR]

Oxygen evolution reaction (OER) plays an important role in the field of renewable energy conversion. It is imminent to develop a highly active, inexpensive and easily available electrocatalyst. Here, we used hydrothermal method and calcination process to combine graphene aerogel with cobalt-copper-based oxide, and obtained two kinds of composite aerogel materials (CuCo2O4/GA) with different (needle spherical and sheet spherical) nanoarray morphology for catalyzing the oxygen evolution reaction. Compared with commercial catalyst Ir/C (338mV) and sheet spherical nanoarray CuCo2O4/GA (GCA-2) (292 mV), the needle spherical nanoarray CuCo2O4/GA (GCA-1) exhibits a lower overpotential (269 mV) to drive a current density of 10 mA/cm2. At the same time, the Tafel slope of CGA-1 (87 mV dec−1) is similar to Ir/C (88 mV dec−1) and has the best kinetics of oxygen evolution reaction. Moreover, both the needle and sheet spherical nanoarray CuCo2O4/GA have excellent durability of 8 h. The optimized nanoarray CuCo2O4/GA has excellent electrocatalytic activity due to the successful combination of graphene aerogel substrate and cobalt-copper-based oxide, which together promotes the reversible reaction of the electrode-electrolyte interface during the oxygen evolution reaction. The electron conduction rate is increased, and the accessible reactive sites are increased. This article provides a simple and efficient morphological engineering strategy for designing and exploring electrocatalysts for oxygen evolution reactions. [ABSTRACT FROM AUTHOR]

Due to their distinctive layered structure, two-dimensional materials facilitate the arrival of photogenerated charges on their surfaces, making them potential candidates for photoelectric catalysis research. In this study, OH-GQDs/SnS2 composites were effectively fabricated through a simple hydrothermal method. The samples were meticulously analyzed, revealing their morphology, intricate structure, and composition. Additionally, the photoelectrocatalytic performance of the heterojunction was meticulously evaluated. The results demonstrate that OH-GQDs intimately attach to the surface of SnS2 ultrathin nanosheets, signaling robust interfacial interactions. With the integration of OH-GQDs, the composite exhibits enhanced absorption of visible light, leading to a remarkable improvement in photocatalytic degradation efficiency towards methyl orange, as well as superior photoelectrochemical activity. The heterojunction generates a photocurrent at 0.6V (vs. Ag/AgCl) that is tenfold higher compared to pure SnS2. By means of Kelvin probe force microscopy (KPFM), an extensive analysis was carried out to scrutinize the surface potential of the OH-GQDs/SnS2 composite. At the junction, it was noticed that photogenerated electrons migrated from SnS2 to OH-GQDs, thereby considerably improving the efficiency of electron–hole pair separation. Consequently, this facilitated the improved performance of photocatalysis and photoelectric catalysis. These findings provide important references and effective ways to design efficient graphene quantum-dot photocatalysts. [ABSTRACT FROM AUTHOR]

Copyright of Rare Metals is the property of Springer Nature and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

We discuss an optimal control problem for the Kirchhoff–Poisson type controlled system. By using variational methods and embedding theorem, we obtain the existence uniqueness of solutions to the state equation and existence of an optimal control. [ABSTRACT FROM AUTHOR]

Background: Widespread neuropathic pain usually affects a wide range of body areas and inflicts huge suffering on patients. However, little is known about how it happens and effective therapeutic interventions are lacking. Methods: Widespread neuropathic pain was induced by partial infraorbital nerve transection (p-IONX) and evaluated by measuring nociceptive thresholds. In vivo/vitro electrophysiology were used to evaluate neuronal activity. Virus tracing strategies, combined with optogenetics and chemogenetics, were used to clarify the role of remodeling circuit in widespread neuropathic pain. Results: We found that in mice receiving p-IONX, along with pain sensitization spreading from the orofacial area to distal body parts, glutamatergic neurons in the ventral posteromedial nucleus of the thalamus (VPMGlu) were hyperactive and more responsive to stimulations applied to the hind paw or tail. Tracing experiments revealed that a remodeling was induced by p-IONX in the afferent circuitry of VPMGlu, notably evidenced by more projections from glutamatergic neurons in the dorsal column nuclei (DCNGlu). Moreover, VPMGlu receiving afferents from the DCN extended projections further to glutamatergic neurons in the posterior insular cortex (pIC). Selective inhibition of the terminals of DCNGlu in the VPM, the soma of VPMGlu or the terminals of VPMGlu in the pIC all alleviated trigeminal and widespread neuropathic pain. Conclusion: These results demonstrate that hyperactive VPMGlu recruit new afferents from the DCN and relay the extra-cephalic input to the pIC after p-IONX, thus hold a key position in trigeminal neuropathic pain and its spreading. This study provides novel insights into the circuit mechanism and preclinical evidence for potential therapeutic targets of widespread neuropathic pain. [ABSTRACT FROM AUTHOR]

Vigilance represents an ability to sustain prolonged attention and plays a crucial role in ensuring the reliability and optimal performance of various tasks. In this report, we describe a MultiModal Vigilance (MMV) dataset comprising seven physiological signals acquired during two Brain-Computer Interface (BCI) tasks. The BCI tasks encompass a rapid serial visual presentation (RSVP)-based target image retrieval task and a steady-state visual evoked potential (SSVEP)-based cursor-control task. The MMV dataset includes four sessions of seven physiological signals for 18 subjects, which encompasses electroencephalogram(EEG), electrooculogram (EOG), electrocardiogram (ECG), photoplethysmogram (PPG), electrodermal activity (EDA), electromyogram (EMG), and eye movement. The MMV dataset provides data from four stages: 1) raw data, 2) pre-processed data, 3) trial data, and 4) feature data that can be directly used for vigilance estimation. We believe this dataset will achieve flexible reuse and meet the various needs of researchers. And this dataset will greatly contribute to advancing research on physiological signal-based vigilance research and estimation. [ABSTRACT FROM AUTHOR]

In this paper, we are concerned with the minimal regularity of weak solutions implying the law of balance for both energy and helicity in the incompressible Euler equations. In the spirit of recent works due to Berselli (J Differ Equ 368:350–375, 2023) and Berselli and Georgiadis (Nonlinear Differ Equ Appl 31(33):1–14, 2024), it is shown that the energy of weak solutions is invariant if the velocity v ∈ L p (0 , T ; B 2 p p - 1 , c (N) 1 p) with 1 < p ≤ 3 and the helicity is conserved if v ∈ L p (0 , T ; B 2 p p - 1 , c (N) 2 p) with 2 < p ≤ 3 for both the periodic domain and the whole space, which generalizes the classical work of Cheskidov et al. (Nonlinearity 21:1233–1252, 2008). As an application, we deduce the upper bound of energy dissipation rate of the form o (μ p α - 1 p α - 2 α + 1 ) of Leray–Hopf weak solutions in L p (0 , T ; B ̲ 2 p p - 1 , V M O α (T d)) in the Navier–Stokes equations, which extends recent corresponding result obtained by Drivas and Eyink (Nonlinearity 32:4465–4482, 2019). [ABSTRACT FROM AUTHOR]

Colonial cities in Asia and Africa, developed under the dual influence of native and sovereign cultures during the colonial era, exhibit unique urban morphological characteristics and reflect the planning ideologies of diverse cultures. Thus, the morphological study of colonial cities in Asia and Africa is crucial for understanding and identifying the historical and cultural value of these cities, which in turn enables the formulation of precise conservation strategies. In light of this, the study develops an urban morphological analysis methodology comprising "Colonial Background Analysis—Morphological Characteristics Analysis—Driving Factor Extraction" based on the Conzenian Approach, which is used to examine the morphology of 21 typical colonial cities in Asia and Africa across various colonial periods. As a result, "Dual-City" emerges as the core spatial characteristic of colonial cities in Asia and Africa, reflecting the morphological differences in road layouts, urban fabric, and urban cores between native and European zones. Additionally, as native settlement sizes, social structures, and cultural identities differ between cities, three major spatial patterns of the "Dual-City" model can be identified: separated, mediated, and integrated spatial patterns, resulting from the varied planning approaches applied by colonizers. Furthermore, suggestions for the conservation of colonial heritage are proposed based on the driving factors analysis from the morphological study. [ABSTRACT FROM AUTHOR]

Purpose: Tyrosine kinase inhibitor (TKI) resistance is the main type of drug resistance in lung cancer patients with epidermal growth factor receptor (EGFR) mutations, but its underlying mechanism remains unclear. The purpose of this work was to investigate the mechanism by which PARP1 regulates EGFR-TKI resistance to identify potential targets for combating drug resistance. Methods: The GEO databases, TCGA databases, western blot and qPCR studies were used to investigate the expression of PARP1 in lung cancer cells and tissues and its correlation with the prognosis of lung cancer. The expression of PARP1 in lung cancer TKI resistant cell PC9-ER and TKI sensitive cell PC9 was analyzed by qPCR and western blot. After knocking down of PARP1, CCK-8 assays, colony formation, flow cytometry were used to investigate its impact on erlotinib sensitivity, cell survival, cell cycle, and apoptosis. RNA-seq was used to investigate the mechanism by which PARP1 participates in EGFR-TKI resistance, and the results were validated in vitro and in vivo studies. Results: PARP1 was highly expressed in both lung cancer tissues and cells. Subsequently, increased PARP1 expression was observed in PC9-ER compared with its parental cell line. Knockdown of PARP1 increased erlotinib sensitivity, promoted cell apoptosis, and suppressed cell growth. RNA-seq and previous studies have shown that the PI3K/AKT/mTOR/P70S6K pathway is involved in PARP1-mediated TKI resistance, and these results were confirmed by Western blot in vitro and in vivo. Conclusion: PARP1 may serve as a potential therapeutic target for reversing EGFR-TKI resistance in NSCLC via the PI3K/AKT/mTOR/P70S6K pathway. [ABSTRACT FROM AUTHOR]

Objective: Holmium laser percutaneous nephrolithotripsy was simulated by porcine kidney calculus model in vitro to investigate thermal damage of renal tissue by different energy parameters of the holmium laser. Methods: We placed human kidney calculus specimen in fresh vitro porcine kidney, then insert thermocouple temperature probes into the submucosa of the renal pelvis and reheated in a 37 °C water bath. A percutaneous nephrological sheath was used to penetrate the renal parenchyma with a moderate irrigation rate of 30 ml/min at 18 ℃. The Holmium laser was used to fragment the stones under a nephroscope, and the temperature was recorded. Results: The four independent models were lithotripsy with 30 W and 60 W laser for 5 and 10 min, respectively; the mean temperature of 30 W vs. 60 W within 5 min was 36.06 °C vs. 39.21 °C (t = 5.36, P < 0.01) and the highest temperature was 43.60 °C vs. 46.60 °C; the mean temperature of 30 W vs. 60 W within 10 min was 37.91 °C vs. 40.13 ℃ (t = 5.28, P < 0.01), maximum temperature 46.80 ℃ vs. 49.20 ℃. Pathologically, each kidney was observed to have different degrees of thermal damage lesions, and the higher power and longer time the more severe the injury, but the injury was mainly limited to the uroepithelial and subepithelial tissues, with rare damage to renal tubules. Conclusion: The higher laser excitation power and longer duration raised the intrarenal temperature significantly and caused a certain degree of thermal damage to the kidney tissue, but overall it was found to be safe and reliable. Urologists can avoid further side effects through surgical expertise. [ABSTRACT FROM AUTHOR]

Topography can strongly affect ground motion, and studies of the quantification of hill surfaces' topographic effect are relatively rare. In this paper, a new quantitative seismic topographic effect prediction method based upon the BP neural network algorithm and three-dimensional finite element method (FEM) was developed. The FEM simulation results were compared with seismic records and the results show that the PGA and response spectra have a tendency to increase with increasing elevation, but the correlation between PGA amplification factors and slope is not obvious for low hills. New BP neural network models were established for the prediction of amplification factors of PGA and response spectra. Two kinds of input variables' combinations which are convenient to achieve are proposed in this paper for the prediction of amplification factors of PGA and response spectra, respectively. The absolute values of prediction errors can be mostly within 0.1 for PGA amplification factors, and they can be mostly within 0.2 for response spectra's amplification factors. One input variables' combination can achieve better prediction performance while the other one has better expandability of the predictive region. Particularly, the BP models only employ one hidden layer with about a hundred nodes, which makes it efficient for training. [ABSTRACT FROM AUTHOR]

Aims: Balancing yield and soil CO2 emissions in cropping systems has become a focus of agricultural research. To explore effective ways to achieve the balance, three years (2016–2018) of field experiments were conducted in the oasis zone of Northwest China. Methods: Three replications of the four tillage systems (NT, no-tillage; MT, minimal-tillage; ST, sub-tillage; FT, fold-tillage) were used in a randomized complete block design. Results: It was found that tillage practice had no significant effect on soil carbon pools. However, FT exhibited a significantly higher soil carbon emission intensity (SCEI) and net ecosystem primary productivity (NPP). Still, poorly in terms of net ecosystem productivity (NEP) than those of the NT, MT, and ST treatments, MT performed the highest NEP and maize yield (P < 0.05). The total cumulative CO2 emissions of the FT were 23.3%-37.6% higher than those of the other tillage practices. Furthermore, we identified that soil CO2 emission was mainly influenced by soil temperature and soil moisture. NT increased farmers' net income and output/input ratio by 20.2% and 41.3% respectively compared with FT and demonstrated better economic benefits and net ecosystem productivity. Conclusions: The results suggest that conservation tillage (especially NT and MT) is advantageous to local economic and ecological benefits in the short term. However, the years of continuous tillage are critical for increasing crop yields and reducing CO2 emissions, so the feedback response of long-term tillage on farmland still needs to be observed and studied. [ABSTRACT FROM AUTHOR]

As a stress hormone existing in the human body, cortisol can reflect the psychological stress and health status in daily life, and is a potential biomarker of the body's stress response. To effectively collect sweat and accurately identify the target, this paper reports a flexible wearable cortisol detection device with outstanding reliability and sensitivity. Molecular imprinted polymer (MIP) ensures cortisol specificity. And carbon nanotubes (CNT) on electrodes increase sensitivity, expanding the detection range to 10−3 to 104 nM, with sensitivity at 189.2 nA/lg(nM). In addition, porous chitosan hydrogel (PCSH) collects sweat effectively, its adhesive properties and 80% swelling rate offer a low-cost alternative to microfluidics. Flexible printed circuit board (FPCB) and serpentine electrode (SE) ensure device durability. This non-invasive, highly sensitive device offers a novel method for mental stress monitoring and clinical diagnosis, advancing human physiological state monitoring. [ABSTRACT FROM AUTHOR]

Synthesis of valuable chemicals from CO2 electroreduction in acidic media is highly desirable to overcome carbonation. However, suppressing the hydrogen evolution reaction in such proton-rich environments remains a considerable challenge. The current study demonstrates the use of a hollow fiber silver penetration electrode with hierarchical micro/nanostructures to enable CO2 reduction to CO in strong acids via balanced coordination of CO2 and K+/H+ supplies. Correspondingly, a CO faradaic efficiency of 95% is achieved at a partial current density as high as 4.3 A/cm2 in a pH = 1 solution of H2SO4 and KCl, sustaining 200 h of continuous electrolysis at a current density of 2 A/cm2 with over 85% single-pass conversion of CO2. The experimental results and density functional theory calculations suggest that the controllable CO2 feeding induced by the hollow fiber penetration configuration primarily coordinate the CO2/H+ balance on Ag active sites in strong acids, favoring CO2 activation and key intermediate *COOH formation, resulting in enhanced CO formation. Suppression of the competing H2 evolution reaction in CO2 electroreduction in strong acids remains a considerable challenge. Here, authors report a silver-based electrode that enables CO2 conversion to CO exceeding 85% at ampere-level current densities in pH = 1 electrolytes. [ABSTRACT FROM AUTHOR]

Although numerous ambient ionization mass spectroscopy technologies have been developed over the past 20 years to address diverse analytical circumstances, a single-ion source technique that can handle all analyte types is still lacking. Here, a wide-energy programmable microwave plasma-ionization mass spectrometry (WPMPI-MS) system is presented, through which MS analysis can achieve high coverage of substances with various characteristics by digitally regulating the microwave energy. In addition, ionization energy can be rapidly scanned using programmable waveforms, enabling the simultaneous detection of biomolecules, heavy metals, non-polar molecules, etc., in seconds. WPMPI-MS performs well in analyzing real samples, rapidly analyzing nine toxicological standards in one drop of serum, and demonstrating good quantification and liquid chromatography coupling capability. The WPMPI-MS has also been used to detect soil extracts, solid pharmaceuticals, and landfill leachate, further demonstrating its robust analytical capabilities for real samples. The prospective uses of the technology in biological and chemical analysis are extensive, and it is anticipated to emerge as a viable alternative to commercially available ion sources. Ion source technology in mass spectrometry still has limitations in analyte coverage. Here, the authors present a wide-energy programmable microwave plasma ionization mass spectrometry system that enables MS analysis with high coverage. [ABSTRACT FROM AUTHOR]

Graphene has been extensively utilized as an electrode material for nonaqueous electrochemical capacitors. However, a comprehensive understanding of the charging mechanism and ion arrangement at the graphene/electrolyte interface remain elusive. Herein, a gap-enhanced Raman spectroscopic strategy is designed to characterize the dynamic interfacial process of graphene with an adjustable number of layers, which is based on synergistic enhancement of localized surface plasmons from shell-isolated nanoparticles and a metal substrate. By employing such a strategy combined with complementary characterization techniques, we study the potential-dependent configuration of adsorbed ions and capacitance curves for graphene based on the number of layers. As the number of layers increases, the properties of graphene transform from a metalloid nature to graphite-like behavior. The charging mechanism shifts from co-ion desorption in single-layer graphene to ion exchange domination in few-layer graphene. The increase in area specific capacitance from 64 to 145 µF cm–2 is attributed to the influence on ion packing, thereby impacting the electrochemical performance. Furthermore, the potential-dependent coordination structure of lithium bis(fluorosulfonyl) imide in tetraglyme ([Li(G4)][FSI]) at graphene/electrolyte interface is revealed. This work adds to the understanding of graphene interfaces with distinct properties, offering insights for optimization of electrochemical capacitors. Graphene is widely used as an electrode material but the understanding of its interface with electrolyte remains elusive. Here, authors employ gap-enhanced Raman spectroscopy and find that the charging mechanism shifts from co-ion desorption to ion exchange as the number of graphene layers increase. [ABSTRACT FROM AUTHOR]

The outcomes of patients with sepsis are influenced by the contractile function of the right ventricle (RV), but the impact of cardiopulmonary interaction in ICU-mortality of sepsis patients remains unclear. This study aims to investigate the ICU-mortality impact of right ventricular-pulmonary artery (RV-PA) coupling in patients with sepsis. We employed echocardiography to assess patients with sepsis within the initial 24 h of their admission to the ICU. RV-PA coupling was evaluated using the tricuspid annular plane systolic excursion (TAPSE) to pulmonary artery systolic pressure (PASP) ratio. A total of 92 subjects were enrolled, with 55 survivors and 37 non-survivors. TAPSE/PASP ratio assessed mortality with an area under the curve (AUC) of 0.766 (95% CI 0.670–0.862) and the optimal cutoff value was 0.495 mm/mmHg. We constructed a nomogram depicting the TAPSE/PASP in conjunction with IL-6 and Lac for the joint prediction of sepsis prognosis, and demonstrated the highest predictive capability (AUC = 0.878, 95% CI 0.809–0.948). In conclusion, the TAPSE/PASP ratio demonstrated prognostic value for ICU mortality in sepsis patients. The nomogram, which combines the TAPSE/PASP, IL-6, and LAC, demonstrated enhanced predictive efficacy for the prognosis of sepsis patients. [ABSTRACT FROM AUTHOR]

Objective: To compare the ability to depict MRI features of hepatobiliary agents in microvascular infiltration (MVI) of hepatocellular carcinoma (HCC) during different stages of dynamic enhancement MRI. Materials and methods: A retrospective study included 111 HCC lesions scanned with either Gd-EOB-DTPA or Gd-BOPTA. All cases underwent multiphase dynamic contrast-enhanced scanning before surgery, including arterial phase (AP), portal venous phase (PVP), transitional phase (TP), delayed phase (DP), and hepatobiliary phase (HBP). Two abdominal radiologists independently evaluated MRI features of MVI in HCC, such as peritumoral hyperenhancement, incomplete capsule, non-smooth tumor margins, and peritumoral hypointensity. Finally, the results were reviewed by the third senior abdominal radiologist. Chi-square (χ2) Inspection for comparison between groups. P < 0.05 is considered statistically significant. Receiver operating characteristic (ROC) curve was used to evaluate correlation with pathology, and the area under the curve (AUC) and 95% confidence interval (95% CI) were calculated. Results: Among the four MVI evaluation signs, Gd-BOPTA showed significant differences in displaying two signs in the HBP (P < 0.05:0.000, 0.000), while Gd-EOB-DTPA exhibited significant differences in displaying all four signs (P < 0.05:0.005, 0.006, 0.000, 0.002). The results of the evaluations of the two contrast agents in the DP phase with incomplete capsulation showed the highest correlation with pathology (AUC: 0.843, 0.761). By combining the four MRI features, Gd-BOPTA and Gd-EOB-DTPA have correlated significantly with pathology, and Gd-BOPTA is better (AUC: 0.9312vs0.8712). Conclusion: The four features of hepatobiliary agent dynamic enhancement MRI demonstrate a good correlation with histopathological findings in the evaluation of MVI in HCC, and have certain clinical significance. [ABSTRACT FROM AUTHOR]

A metamaterial vibration isolator, termed as wave-insulating isolator, is proposed, which preserves enough load-bearing capability and offers ultra-low and broad bandgaps for greatly enhanced wave insulation. It consists of plate-shaped metacells, whose symmetric and antisymmetric local resonant modes offer several low and broad mode bandgaps although the complete bandgap remains high and narrow. The bandgap mechanisms, vibration isolation properties, effects of key parameters, and robustness to complex conditions are clarified. As experimentally demonstrated, the wave-insulating isolator can improve the vibration insulation in the ranges of [50 Hz, 180 Hz] and [260 Hz, 400 Hz] by 15 dB and 25 dB, respectively, in contrast to the conventional isolator with the same first resonant frequency. [ABSTRACT FROM AUTHOR]

With the rapid development of network technology and the automation process for 5G, cyber-attacks have become increasingly complex and threatening. In response to these threats, researchers have developed various network intrusion detection systems (NIDS) to monitor network traffic. However, the incessant emergence of new attack techniques and the lack of system interpretability pose challenges to improving the detection performance of NIDS. To address these issues, this paper proposes a hybrid explainable neural network-based framework that improves both the interpretability of our model and the performance in detecting new attacks through the innovative application of the explainable artificial intelligence (XAI) method. We effectively introduce the Shapley additive explanations (SHAP) method to explain a light gradient boosting machine (LightGBM) model. Additionally, we propose an autoencoder long-term short-term memory (AE-LSTM) network to reconstruct SHAP values previously generated. Furthermore, we define a threshold based on reconstruction errors observed during the training phase. Any network flow that surpasses the specified threshold is classified as an attack flow. This approach enhances the framework’s ability to accurately identify attacks. We achieve an accuracy of 92.65%, a recall of 95.26%, a precision of 92.57%, and an F1-score of 93.90% on the dataset NSL-KDD. Experimental results demonstrate that our approach generates detection performance on par with state-of-the-art methods. [ABSTRACT FROM AUTHOR]

All-solid-state batteries, renowned for their enhanced safety and high energy density, have garnered broad interest. Oxide solid electrolytes are highly anticipated for their balanced performance. However, their high Young's modulus and inadaptability to volume change during cycling lead to poor contact and eventual battery failure. In this work, Young's modulus of Li1+x(OH)xCl samples is lowered to a level comparable to that of sulfide by regulating the–OH content. As the–OH content increases, Young's modulus of Li1+x(OH)xCl samples decreases significantly. This may be due to the local aggregation of–OH groups, forming cavities similar to LiOH structure, which reduces the bonding of the structure. On the premise of high Li-ion conductivity and electrochemical stability, the lowered Young's modulus improves the contact between the solid electrolyte and the electrodes, forming a strong and stable interfacial layer, thereby improving interfacial and cycling stability. The symmetrical lithium metal cell shows excellent cycle performance of 600 h, and the assembled LiFePO4∣Li2.4(OH)1.4Cl∣Li cell shows significantly enhanced cycling endurance with 80% capacity retention after 150 cycles. This work not only emphasizes the crucial importance of Young's modulus in improving interface issues but also offers innovative approaches to advance the mechanical properties of solid electrolytes. [ABSTRACT FROM AUTHOR]

Inbreeding is thought to be a key adverse factor impacting the genetic quality of seeds in seed production populations and the inbreeding degree (i.e., selfing or outcrossing rate) of seed production populations have been extensively assessed through mating system analysis. The adverse effect of inbreeding on seed quality traits in seed production populations under open-pollination conditions has not yet been clearly described. In this study, the open-pollinated seeds were collected from 26 mother trees in a 58-year-old seed tree stand. Three seed quality traits, including thousand-seed weight (TSW), germination rate (GR), and germination potential (GP), were measured, and the seeds from eight of 26 families with significant differences in seed quality traits were genotyped through twelve microsatellite markers. In addition, the seeds and sprouts (germinated seeds) from six families were genotyped to reveal the effect of inbreeding on seed germination. The three seed quality traits significantly differed among families (p < 0.001). The multilocus outcrossing rate (tm = 0.889) and single-locus outcrossing rate (ts = 0.648) of overall seeds indicated apparent selfing (11.1%) and biparental inbreeding (24.0%). The outcrossing rate in the sprout group (tm = 0.919, ts = 0.788) was higher than that in the seed group (tm = 0.833, ts = 0.646), and the difference in ts between groups was different from zero under the 95% confidence interval (0.024–0.260), suggesting that inbreeding negatively affected seed germination. Linear regression demonstrated that TSW was positively correlated with tm and ts, while GR was negatively related to tm−ts and positively related to ts, implying that seed mass (development) was probably more affected by self-fertilization, but germination capacity was more influenced by biparental inbreeding. The inbreeding depression (ID) of TSW was estimated to be 26.3% with a 0.1 decrease in tm, while that of GR was estimated to be 8.4% with a 0.1 decrease in ts. These results suggest that the IDs during seed development and the germination stage of Masson pine were nonignorable and that more attention to outcrossing rate should be paid to the establishment and management of Masson pine seed production. [ABSTRACT FROM AUTHOR]

Purpose: While numerous studies underscore the benefits of early palliative care (EPC) for patients with solid tumors, its effects on patients with multiple myeloma (MM) are not as widely known. This study aims to determine the effects of EPC integration on patients with newly diagnosed symptomatic MM and the feasibility of this approach. Methods: This prospective cohort study enrolled patients within eight weeks of diagnosis. Participants met with a palliative care team monthly for 12 months. Functional Assessment of Cancer Therapy-General (FACT-G) plus Multiple Myeloma Subscale (FACT-MM), and Hospital Anxiety and Depression Scale (HADS) were administered upon enrollment and every three months. Proportion of completed visits and assessments determined the feasibility of EPC. Results: Of the twenty participants enrolled from January 2020 to November 2022, median age was 65 (range 40, 77), 15 (75%) were female, 15 (75%) were white, 65% completed assessments at six months, and 60% at 12 months. The following measures significantly improved at 12 months versus baseline: FACT-G scores increased by 15.1 points (adjusted 95% CI: 2.2–28.1, adjusted p = 0.02); Functional Well-Being scores increased by 6.0 points (adjusted 95% CI: 1.1–10.9, adjusted p = 0.01); and Pain Subscale scores increased by 3.4 points (adjusted 95% CI: 0.5–6.4, adjusted p = 0.02). Depression and anxiety scores did not significantly change over time. Conclusion: Functional well-being, pain experience and overall QOL improved in a cohort of patients with newly diagnosed MM after 12 months of EPC involvement. Although monthly visits seemed feasible, the findings suggest that further research is needed to explore the optimal timing of palliative care interventions in the MM trajectory. Trial registration: ClinicalTrials.gov ID NCT04248244 (Registration Date: January 30, 2020). [ABSTRACT FROM AUTHOR]

In image inpainting, the identification and inpainting of local detail features and the preservation of global features are crucial. Models based on fractional-order partial differential equations exhibit rich evolutionary behaviors. These behaviors enable them to effectively comprehend image details. Additionally, these models possess a certain sharpening effect in image inpainting. However, they are also prone to issues such as inaccurate identification of large-scale features and over-sharpening. The optimal control model proposed in this paper uses the total variation energy of image global features as the objective function. It also employs the spatial fractional-order vector-valued Cahn–Hilliard equation as the constraint, aiming to achieve a balanced effect between local detail restoration and preservation of global features. The paper aims to optimize the objective function by designing numerical computation schemes for non-convex constraint conditions using L 2 gradient flow, H - 1 gradient flow, and convex splitting. The Split Bregman method is used for further optimization, and a dynamic grayscale adjustment strategy is introduced to maintain grayscale discrimination capability while enhancing computational efficiency. Numerical experiments demonstrate that the new model exhibits certain advantages over other inpainting methods in terms of PSNR values. It also shows strong competitiveness in terms of SSIM values, especially in severely damaged images where it demonstrates greater stability. Compared to traditional fractional-order equation models, the proposed model captures global features and incorporates the dynamic grayscale adjustment strategy, resulting in significantly reduced computation time. [ABSTRACT FROM AUTHOR]

Six lupane triterpenoids (1–6), including an undescribed one, 3,23-di-O-isopropylidene-lup-20(29)-ene (1), along with two oleane triterpenoids (7, 8), were isolated from the Zhuang ethnic medicinal plant Glochidion eriocarpum. Their structures were identified based on comprehensive NMR, MS, and physiochemical data analysis. Compounds 2, 7, and 8 significantly inhibited the production of nitride oxide (NO) of the LPS-induced RAW 264.7 cells, which may be attributed to the anti-inflammatory activity of this plant. [ABSTRACT FROM AUTHOR]

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Our research endeavors are directed towards unraveling the stem cell characteristics of lower-grade glioma patients, with the ultimate goal of formulating personalized treatment strategies. We computed enrichment stemness scores and performed consensus clustering to categorize phenotypes. Subsequently, we constructed a prognostic risk model using weighted gene correlation network analysis (WGCNA), random survival forest regression analysis as well as full subset regression analysis. To validate the expression differences of key genes, we employed experimental methods such as quantitative Polymerase Chain Reaction (qPCR) and assessed cell line proliferation, migration, and invasion. Three subtypes were assigned to patients diagnosed with LGG. Notably, Cluster 2 (C2), exhibiting the poorest survival outcomes, manifested characteristics indicative of the subtype characterized by immunosuppression. This was marked by elevated levels of M1 macrophages, activated mast cells, along with higher immune and stromal scores. Four hub genes—CDCA8, ORC1, DLGAP5, and SMC4—were identified and validated through cell experiments and qPCR. Subsequently, these validated genes were utilized to construct a stemness risk signature. Which revealed that Lower-Grade Glioma (LGG) patients with lower scores were more inclined to demonstrate favorable responses to immune therapy. Our study illuminates the stemness characteristics of gliomas, which lays the foundation for developing therapeutic approaches targeting CSCs and enhancing the efficacy of current immunotherapies. By identifying the stemness subtype and its correlation with prognosis and TME patterns in glioma patients, we aim to advance the development of personalized treatments, enhancing the ability to predict and improve overall patient prognosis. [ABSTRACT FROM AUTHOR]

This study introduces and evaluates an innovative combined cooling, heating, and power (CCHP) system integrating a gas turbine cycle with transcritical and supercritical CO2 cycles, a high-pressure steam cycle, a Goswami cycle, and a heating terminal. The primary objective is to enhance the thermodynamic efficiency and reduce the environmental impact of power generation. Through detailed exergy and energy analyses, we assessed the system's performance and compared it with traditional energy systems. The methodology included evaluating the irreversibility within each component, particularly highlighting the gas turbine cycle's significant share of irreversibility at 67% and the chamber's highest exergy destruction. Our findings reveal that the integrated system achieves total energy, exergy, and electrical efficiencies of 68.83%, 34.63%, and 33.55%, respectively, while significantly reducing CO2 emissions to 0.298 kgCO2/kWh—outperforming coal, oil, and natural gas power plants in environmental sustainability. Furthermore, the integrated CCHP system showcases superior thermodynamic performance by achieving higher efficiency rates compared to existing solutions detailed in recent studies, thereby marking a significant step forward in the development of sustainable power generation technologies. This research underscores the potential of integrating transcritical and supercritical CO2 cycles with gas turbines to meet energy demands more efficiently and eco-consciously. [ABSTRACT FROM AUTHOR]

In this paper, we employ the quantum trajectory Monte Carlo model to simulate the momentum distribution of Argon atoms during tunneling ionization. Our analysis illustrates the use of semi-classical models to study the changes in electron trajectories under different laser field intensities. And by studying the different subcycles, the changes of the interference pattern are observed. Our approach successfully observes the interference patterns resembling fishbone and spider stripes. We delve into the subperiodic interference structures present in the photoelectron momentum distributions. Specifically, we investigate the correlation effects of ionization trajectories on the interference fringes within the same period and in adjacent periods. Our analysis demonstrates that the holographic interference fringe results from the superposition of direct ionization trajectories and scattering trajectories. We elucidate the mechanisms underlying the formation of above-threshold ionization (ATI) ring structures and temporal double-slit interference patterns. Additionally, we investigate how wave packets perceive the Coulomb potential and its impact on interference phenomena under varying field intensities. Notably, without the Coulomb potential, the original spider-like holographic interference pattern disappears, replaced by temporal double-slit interference fringes similar to those observed within a comparable time frame. [ABSTRACT FROM AUTHOR]

This paper investigates an adaptive fuzzy tracking controller for uncertain strict-feedback nonlinear systems suffering from asymmetric time-varying state constraints, unmeasured states, and unknown external disturbances. Firstly, a state observer with a simplified structure is constructed to approximate the unavailable system states based on fuzzy logic systems. The difficulties caused by time-varying state constraints are effectively addressed in a direct approach via the nonlinear state-dependent functions. Compared to the classical barrier Lyapunov functions-based (BLFs-based) method, the strict condition imposed on the virtual controller is eliminated, which significantly enhances the applicability of the controller in practical systems. Meanwhile, to handle the issue of "explosion of complexity," a novel adaptive fuzzy tracking control technique is proposed by using the sliding-mode differentiator. Finally, rigorous stability analysis is employed to verify that the error between the system output signal and the reference signal can converge to an arbitrarily small set around the origin, and all closed-loop signals are bounded without time-varying state constraints violation. The effectiveness of the theoretical result is further illustrated by two simulation examples. [ABSTRACT FROM AUTHOR]

The mineralogy, micro-structure, geochemical mass balance, and porosity of sandstone in the Nankan Grotto were analyzed to explore the weathering mechanism of typical deterioration patterns: scaling and disintegration. The results signify that the major elements Ca, Na, K, Al, and Si have been leached during the weathering of calcite, feldspar, and quartz. Fe and Mg exhibited different geochemical behaviors due to the weathering of ankerite and biotite and the enrichment of clay minerals formed from feldspar alteration. The Leeb hardness values (in HLDs) of samples in the scaling and disintegration sites both showed an obvious decreasing trend from Zone-4 to Zone-1. The porosity exhibited little variation at the early stage and then increased rapidly during the weathering system, which was attributed to the sharp increase in the abundance of the macropores. The physico-mechanical properties (porosity and hardness) were useful parameters in evaluating the deterioration status of sandstone in the Nankan Grotto. Based on the microscopic petrographic evidence, the stress imposed by the biotite oxidation was the primary stimuli of the scaling pattern. The disintegration was mainly attributed to the high content of calcite and its intense fragmentation. The mineralogical compositions (especially calcite and biotite contents) laid the foundation for the distinct development of scaling and disintegration. In addition, the swelling/shrinking stress of clay minerals during hydration-dehydration reactions was an indispensable cause for the formation of both scaling and disintegration patterns. Our research reveals the microscopic weathering mechanism of the sandstone deterioration in the Nankan Grotto, providing new insights for research on the deterioration mechanism of grottoes. Further research and subsequent conservation of the Nankan Grotto could be conducted from the engineering geology aspects. [ABSTRACT FROM AUTHOR]

Investigation of a novel thermophilic esterase gene from Geobacillus subterraneus DSMZ 13552 indicated a high amino acid sequence similarity of 25.9% to a reported esterase from Geobacillus sp. A strategy that integrated computer-aided rational design tools was developed to select mutation sites. Six mutants were selected from four criteria based on the simulated saturation mutation (including 19 amino acid residues) results. Of these, the mutants Q78Y and G119A were found to retain 87% and 27% activity after incubation at 70 °C for 20 min, compared with the 19% activity for the wild type. Subsequently, a double-point mutant (Q78Y/G119A) was obtained and identified with optimal temperature increase from 65 to 70 °C and a 41.51% decrease in Km. The obtained T1/2 values of 42.2 min (70 °C) and 16.9 min (75 °C) for Q78Y/G119A showed increases of 340% and 412% compared with that in the wild type. Q78Y/G119A was then employed as a biocatalyst to synthesize cinnamyl acetate, for which the conversion rate reached 99.40% with 0.3 M cinnamyl alcohol at 60 °C. The results validated the enhanced enzymatic properties of the mutant and indicated better prospects for industrial application as compared to that in the wild type. This study reported a method by which an enzyme could evolve to achieve enhanced thermostability, thereby increasing its potential for industrial applications, which could also be expanded to other esterases. [ABSTRACT FROM AUTHOR]