With deepening urbanization and Internet of Vehicles (IoV) applications, the number private cars has been increasing in recent years. However, because surging is not compatible with limited road resources, car users have had unsatisfactory commute experiences during their daily travel. In this work, we focus on improving users' experience based an analysis IoV trajectory data a privacy-preserving way. Our idea following observations: 1) closely related to departure time travel cost 2) most...

Abstract Carbonyl reductases are useful for producing optically active alcohols from their corresponding prochiral ketones. Herein, we applied a computer‐assisted strategy to increase the thermostability of previously constructed carbonyl reductase, Ls CR M4 (N101D/A117G/F147L/E145A), which showed an outstanding activity in synthesis ticagrelor precursor (1 S )‐2‐chloro‐1‐(3,4‐difluorophenyl)ethanol. The stability changes introduced by mutations at flexible sites were predicted using...

K-Ras, a molecular switch that regulates cell growth, apoptosis and metabolism, is activated when it undergoes conformation change upon binding GTP deactivated following the hydrolysis of to GDP. Hydrolysis in water accelerated by coordination where adopts high-energy approaching transition state. The G12A mutation reduces intrinsic K-Ras an unexplained mechanism. Here, crystal structures complex with GDP, GTP, GTPγS GppNHp, Q61A are reported. In K-Ras-GTP complex, I region significant...

Individuals driving private cars in the urban environments to fulll their travel needs have become one of major daily activities. In particular, unlike with floating such as taxis or ride-hailing vehicles, behaviors exhibit a certain degree regularity based on demands. Understanding behavior facilitates many applications, e.g., intelligent transportation, smart city planning, and location-based services (LBS). this paper, we focus extracting regular trajectory data analysis. Specifically,...

Recognition of specific cell surface glycans, mediated by the VP8* domain spike protein VP4, is essential first step in rotavirus (RV) infection. Due to lack direct structural information virus-ligand interactions, molecular basis ligand-controlled host ranges major human RVs (P[8] and P[4]) P[II] genogroup remains unknown. Here, through characterization a minor RV (P[19]) that can infect both animals (pigs) humans, we made an important advance fill this knowledge gap solving crystal...

Abstract Enzyme engineering usually generates trade‐offs between activity, stability, and selectivity. Herein, we report semirational of an aldo–keto reductase (AKR) Km AKR for simultaneously enhancing its thermostability catalytic activity. Previously, constructed M9 (W297H/Y296W/K29H/Y28A/T63M/A30P/T302S/N109K/S196C), which showed outstanding activity towards t ‐butyl 6‐chloro‐(3 R ,5 S )‐dihydroxyhexanoate ((3 )‐CDHH), 6‐cyano‐(3 )‐dihydroxyhexanoate, the key chiral building blocks...

Aldo-keto reductases (AKRs) are important biocatalysts that can be used to synthesize chiral pharmaceutical alcohols. In this study, the catalytic activity and stereoselectivity of a NADPH-dependent AKR from Kluyveromyces dobzhanskii (KdAKR) toward t-butyl 6-chloro (5S)-hydroxy-3-oxohexanoate ((5S)-CHOH) were improved by mutating its residues in loop regions around substrate-binding pocket. And thermostability KdAKR was consensus sequence method targeted on flexible regions. The best mutant...

Initial cell attachment of rotavirus (RV) to specific surface glycan receptors, which is the essential first step in RV infection, mediated by VP8* domain spike protein VP4. Recently, human histo-blood group antigens (HBGAs) have been identified as receptors or factors for strains. strains P[4] and P[8] genotypes P[II] genogroup share common recognition Lewis b (Leb) H type 1 antigens, however, molecular basis receptor major RVs remains unknown due lack experimental structural information....

At present, many Deep Neural Network (DNN) methods have been widely used for hyperspectral image classification. Promising classification results obtained by utilizing such models. However, due to the complexity and depth of model, increasing number model parameters may lead an overfitting especially when training data are insufficient. As performance mainly depends on sufficient a large network with reasonably optimized hyperparameters, using DNNs requires better hardware conditions time....

Background: Pancreatic cancer is the most lethal of all human cancers. The disease has no obvious symptoms in its early stages and majority cases, goes undetected until it advanced to point that surgery longer a viable option or metastasized other organs. absence reliable sensitive biomarkers for detection pancreatic contributes poor ability detect before progresses an untreatable stage. Objectives: Here, orthotopic xenograft mouse model was investigated determine if urinary metabolic could...

Sepsis-associated acute kidney injury (SA-AKI) is a significant problem in the critically ill that causes increased death. Emerging understanding of this disease implicates metabolic dysfunction its pathophysiology. This study sought to identify specific pathways amenable potential therapeutic intervention. Using murine model sepsis, blood and tissue samples were collected for assessment systemic inflammation, function, renal injury. Nuclear magnetic resonance (NMR)-based metabolomics...

Abstract The aldo‐keto reductase (AKR) Kd AKR from Kluyvermyces dobzhanskii can reduce t ‐butyl 6‐chloro‐(5 S )‐hydroxy‐3‐oxohexanoate ((5 )‐CHOH) to 6‐chloro‐(3 R ,5 )‐dihydroxyhexanoate ((3 )‐CDHH), which is the key chiral intermediate of rosuvastatin. Herein, a computer‐aided design that combined use PROSS platform and consensus was employed improve stability previously constructed mutant M6 . Experimental verification revealed S196C, T232A, V264I V45L produced improved thermostability...

Significance Group A rotaviruses cause severe gastroenteritis in infants and young children worldwide, with P[II] genogroup (RVs) responsible for >90% of global cases. Existing RV vaccines are successful many developed countries, but their efficacy remains poor developing which could be due to lack cross protection between genotypes more common countries other P-type RVs less countries. In this study, crystal structures major VP8* receptor domains complex Lewis epitope–containing...

Metabolic profiling of cell line and tissue extracts involves sample processing that includes a drying step prior to re-dissolving the or in buffer for analysis by GC/LC-MS NMR. Two most commonly used techniques are centrifugal evaporation under vacuum (SpeedVac) lyophilization. Here, NMR spectroscopy was determine how metabolic profiles hydrophilic three human pancreatic cancer lines, MiaPaCa-2, Panc-1 AsPC-1, were influenced choice technique. In each 40-50 metabolites identified as having...

Aldo-keto reductases-catalyzed transformations of ketones to chiral alcohols have become an established biocatalytic process step in the pharmaceutical industry. Previously, we discovered aldo-keto reductase (AKR) from Kluyveromyces marxianus that is active aliphatic tert-butyl 6-substituted (5R/S)-hydroxy-3-oxohexanoates, but it inactive aromatic ketones. In order acquire excellent KmAKRmutant for ensuring simultaneous improvement activity-thermostability toward...

Abstract β-1,3-glucanase can specifically hydrolyze glucans to oligosaccharides and has potential applications in biotechnology. We used the metatranscriptomic technology discover a thermophilic from compost. The phylogenetic study shows that it belongs family 16 glycoside hydrolase (GH16) is most homologous with an enzyme Streptomyces sioyaensis , actinobacterium. It activity of 146.9 U/mg optimal reaction condition (75 °C pH 5.5). Its catalytic domain was crystallized diffracted 1.14 Å...

Abstract Pullulanase is a well-known debranching enzyme that can specifically hydrolyze α-1,6-glycosidic linkages in starch and oligosaccharides, however, it suffers from low stability catalytic efficiency under industrial conditions. In the present study, four residues (A365, V401, H499, T504) lining pocket of Anoxybacillus sp. AR-29 pullulanase (PulAR) were selected for site-directed mutagenesis (SDM) by using structure-guided consensus approach. Five beneficial mutants (PulAR-A365V,...

Abstract Initial cell attachment of rotavirus (RV) to specific surface glycans, which is the essential first step in RV infection, mediated by VP8* domain spike protein VP4. Recently, human histo-blood group antigens (HBGAs) have been identified as ligands or receptors for strains. strains P[4] and P[8] genotypes P[II] genogroup share common recognition Lewis b H type 1 antigens, while P[6], one other P[II], only recognizes antigen. The molecular basis receptor major RVs remains unknown due...

Abstract Pentapeptide repeat proteins (PRPs) represent a large superfamily with more than 38 000 sequences in nearly 3500 species, the majority belonging to cyanobacteria but represented among all branches of life. PRPs contain at least eight consecutive pentapeptide repeats consensus (A/C/S/V/T/L/I)(D/N/S/K/E/I/R)(L/F)(S/T/R/E/Q/K/V/D)(G/D/E/N/R/Q/K). fold into right‐handed quadrilateral β helices, also known as repeat‐five‐residue (Rfr)‐folds, four comprising single coil, ~90 ° change...