A5004663761- Reinforcement Learning in Robotics
- 3D Shape Modeling and Analysis
- Metal-Catalyzed Oxygenation Mechanisms
- Metal-Organic Frameworks: Synthesis and Applications
- Enzyme Structure and Function
- Analytical chemistry methods development
- Asymmetric Hydrogenation and Catalysis
- Biochemical Acid Research Studies
- Quantum Information and Cryptography
- Advanced Vision and Imaging
- Domain Adaptation and Few-Shot Learning
- Agronomic Practices and Intercropping Systems
- Molecular Sensors and Ion Detection
- Biochemical and Molecular Research
- Enzyme Production and Characterization
- Robot Manipulation and Learning
- Advanced Sensor and Energy Harvesting Materials
- Computer Graphics and Visualization Techniques
- Enzyme Catalysis and Immobilization
- Coal Properties and Utilization
- Quantum Computing Algorithms and Architecture
- 3D Surveying and Cultural Heritage
- CO2 Sequestration and Geologic Interactions
- Neural Networks and Reservoir Computing
- Multimodal Machine Learning Applications
Tianjin Institute of Industrial Biotechnology
2022-2025
Chinese Academy of Sciences
2022-2025
KTH Royal Institute of Technology
2021-2025
North Carolina State University
2024
Institute of Urban Environment
2022-2024
Beijing Institute of Technology
2024
Henan Normal University
2024
Hong Kong University of Science and Technology
2024
University of Hong Kong
2024
University of Nottingham Ningbo China
2023
We report new Gaussian boson sampling experiments with pseudo-photon-number-resolving detection, which register up to 255 photon-click events. consider partial photon distinguishability and develop a more complete model for the characterization of noisy sampling. In quantum computational advantage regime, we use Bayesian tests correlation function analysis validate samples against all current classical spoofing mockups. Estimating best algorithms date, generating single ideal sample from...
Homochiral metal-organic frameworks with fine-tuned pore sizes/walls and large surface areas are promising porous materials for enantioseparation considering the traditional zeolite molecular sieves have no chirality. Using enantiopure pyridyl-functionalized salen [(N-(4-Pyridylmethyl)-L-leucine·HBr)] as a starting material, we prepared noninterpenetrated three-dimensional homochiral metal organic framework {[ZnLBr]·H2O}n, which was further used chiral stationary phase high-performance...
Hydrogen sulfide (H2S) has been regarded as the third important gaseous signaling molecule involved in human physiological and pathological processes. Due to high reactive diffusible properties of H2S, real-time detection H2S fluctuations living biological specimens is crucial. Here, we present a Cu(II)-metalated 3D porous nanoscale metal-organic framework (nano-MOF) {CuL[AlOH]2}n (PAC; H6L = meso-tetrakis(4-carboxylphenyl)porphyrin) successfully employ this nano-MOF novel heterogeneous...
Point cloud is an important type of geometric data structure. Due to its irregular format, most researchers transform such regular 3D voxel grids or collections images. This, however, renders unnecessarily voluminous and causes issues. In this paper, we design a novel neural network that directly consumes point clouds well respects the permutation invariance points in input. Our network, named PointNet, provides unified architecture for applications ranging from object classification, part...
Electron transport through metal–organic frameworks by a hopping mechanism between discrete redox active sites is coupled to diffusion-migration of charge-balancing counter cations. Experimentally determined apparent diffusion coefficients, Deapp, that characterize this form charge thus contain contributions from both processes. While well established for MOFs, microscopic descriptions process are largely lacking. Herein, we systematically lay out different scenarios cation-coupled electron...
Gaussian boson sampling (GBS) is not only a feasible protocol for demonstrating quantum computational advantage, but also mathematically associated with certain graph-related and chemistry problems. In particular, it proposed that the generated samples from GBS could be harnessed to enhance classical stochastic algorithms in searching some graph features. Here, we use Jiǔzhāng, noisy intermediate-scale computer, solve The are 144-mode fully connected photonic processor, photon click up 80...
Generalizable 3D part segmentation is important but challenging in vision and robotics. Training deep models via conventional supervised methods requires large-scale datasets with fine-grained annotations, which are costly to collect. This paper explores an alternative way for low-shot of point clouds by leveraging a pretrained image-language model, GLIP. achieves superior performance on open-vocabulary 2D detection. We transfer the rich knowledge from through GLIP-based detection cloud...
Probe L-HF1, which featured large (pseudo) Stokes shifts and high FRET efficiency, was designed on a new ESIPT enhanced platform for the detection of HSO3-/SO32-. L-HF1 could detect endogenous bisulfite in HepG2 cells but not L-02 cells, implying different levels normal cancer liver.
An atypical nonheme iron-dependent dioxygenase BTG13 with a rare iron coordination of four histidine residues and carboxylated-lysine (Kcx) was recently reported to catalyze the C4a–C10 bond cleavage anthraquinone. However, reaction mechanism remains elusive. Herein, detailed is studied using molecular dynamics simulations density functional theory calculations. The comprehensive mechanistic study shows that most favorable pathway for C–C anthraquinone involves two unusual steps: (1)...
Meroterpenoid clavilactones feature a unique benzo-fused ten-membered carbocyclic ring unit with an α,β-epoxy-γ-lactone moiety, forming intriguing 10/5/3 tricyclic nested skeleton. These compounds are good inhibitors of the tyrosine kinase, attracting lot chemical synthesis studies. However, natural enzymes involved in formation skeleton remain unexplored. Here, we identified gene cluster responsible for biosynthesis clavilactone A basidiomycetous fungus Clitocybe clavipes. We showed that...
AsqJ from Aspergillus nidulans is a nonheme FeII/α-ketoglutarate-dependent dioxygenase that catalyzes the conversion of benzodiazepinedione into 4′-methoxyviridicatin, which key step in biosynthesis quinolone alkaloids. A series recent experiments have demonstrated able to perform decoupled desaturation and epoxidation reactions. Herein, on basis published crystal structures, combined quantum mechanics molecular (QM/MM) calculations been performed explore both processes. Our reveal quintet...
Nicotinamide adenine dinucleotide (NAD(P)+)-dependent oxidoreductases have been widely employed as biocatalysts for numerous applications, such in vitro biomanufacturing and biosensors. The application of biomimetic nicotinamide coenzymes (BNCs) an enzymatic redox cascade constitutes a promising alternative that can eliminate the need expensive natural NAD(P)+ coenzymes. Herein, we demonstrated coenzyme engineering glucose-6-phosphate dehydrogenase from Zymomonas mobilis (ZmG6PDH) enhanced...
Large Language Models (LLMs) significantly benefit from Chain-of-Thought (CoT) prompting in performing various reasoning tasks. While CoT allows models to produce more comprehensive processes, its emphasis on intermediate steps can inadvertently introduce hallucinations and accumulated errors, thereby limiting models' ability solve complex Inspired by how humans engage careful meticulous deductive logical processes tasks, we seek enable language perform explicit rigorous reasoning, also...
Abstract 5‐Enolpyruvylshikimate‐3‐phosphate synthase (EPSPS) catalyzes the conversion of 5‐enolpyruvate (PEP) and shikimic acid phosphate (S3P) to 5‐enolpyruvylshikimic acid‐3‐phosphate (EPSP), releasing inorganic phosphate. This reaction is sixth step shikimate pathway, which a metabolic pathway used by microorganisms plants for biosynthesis aromatic amino acids folates but not in mammals. In present study, detailed mechanism EPSPS from Nicotiana tabacum ( Nt EPSPS) revealed quantum...
Various metal–organic frameworks (MOFs) containing trivalent cations (such as Fe3+, Al3+, and Cr3+) have been reported shown great potential in applications. However, the high structural diversity strong electronic interactions between metal centers their ligands make molecular dynamics simulations of MOFs challenging. In this work, we developed new dummy atom models for Cr3+ cations, which can be used classical MOFs. our models, correct solvation free energies metal–ligand distances...
The chloroperoxidase from Caldariomyces fumago (CfCPO) catalyzes the oxidative ring expansion of α-heterofunctionalized furans via Achmatowicz rearrangement, providing an elegant tool to convert furan rings into complex-prefunctionalized scaffolds. However, mechanism this transformation remains unclear. Herein, CfCPO-catalyzed reaction rac-1-(2-furyl)ethanol (1a) is studied by quantum chemical calculations and molecular dynamics simulations. reveal that conversion follows general reaction....
We present RigAnything, a novel autoregressive transformer-based model, which makes 3D assets rig-ready by probabilistically generating joints, skeleton topologies, and assigning skinning weights in template-free manner. Unlike most existing auto-rigging methods, rely on predefined template are limited to specific categories like humanoid, RigAnything approaches the rigging problem an manner, iteratively predicting next joint based global input shape previous prediction. While models...
More than ten ergot alkaloids comprising both natural and semi-synthetic products are used to treat various diseases1,2. The central C ring forms the core pharmacophore for alkaloids, giving them structural similarity neurotransmitters, thus enabling their modulation of neurotransmitter receptors3. haem catalase chanoclavine synthase (EasC) catalyses construction this through complex radical oxidative cyclization4. Unlike canonical catalases, which catalyse H2O2 disproportionation5,6, EasC...
Background Drug-induced liver injury (DILI) is the most common cause of acute injury. Anoectochilus roxburghii (Wall.) Lindl. (AR) and its polysaccharide fractions (ARPs) have been shown to effective therapeutic effects with minimal side on a wide range diseases including hepatopathy. This study aims determine ARPs acetaminophen (APAP)-induced explore mechanistic pathways involved. Methods C57BL/6J male mice at 8 weeks were used construct model APAP-induced The hepatic was induced by oral...
Engineered P450s can catalyze some non-natural reactions with high efficiency and excellent selectivity, such as the carbine transfer, nitrene C-H insertion, amination, opening alternative routes for sustainable production of chemicals. Recent experiments revealed that two engineered cytochrome P450 enzymes (P450BM3-CIS P411BM3-CIS) show different efficiencies stereoselectivities in olefin cyclopropanation, but key factors affect activity remain unclear. In this work, both quantum mechanics...