A5100777353- Cleft Lip and Palate Research
- Craniofacial Disorders and Treatments
- Advanced Chemical Physics Studies
- Spectroscopy and Laser Applications
- Quantum, superfluid, helium dynamics
- Machine Learning in Materials Science
- Epigenetics and DNA Methylation
- Developmental Biology and Gene Regulation
- Atmospheric chemistry and aerosols
- Congenital Anomalies and Fetal Surgery
- Hedgehog Signaling Pathway Studies
- MicroRNA in disease regulation
- Head and Neck Surgical Oncology
- Pluripotent Stem Cells Research
- Psychoanalysis and Social Critique
- Atmospheric Ozone and Climate
- Spectroscopy and Quantum Chemical Studies
- Tracheal and airway disorders
- Neurogenesis and neuroplasticity mechanisms
- Congenital Ear and Nasal Anomalies
- Cancer-related molecular mechanisms research
Nanjing University
2021-2024
Shriners Hospitals for Children - Erie
2020-2023
University of California, Davis
2020-2022
Shriners Hospitals for Children - Northern California
2020
Accurate prediction of reaction energetics remains a fundamental challenge in computational chemistry, as conventional density functional theory (DFT) often fails to reconcile high accuracy with effi ciency. Here, we introduce Deep post-Hartree-Fock (DeePHF), machine learning framework that synergistically integrates neural networks quantum mechanical descriptors achieve CCSD(T)-level precision while retaining the efficiency DFT. By establishing direct mapping between eigenvalues local...
<title>Abstract</title> Accurate prediction of reaction energetics remains a fundamental challenge in computational chemistry, as conventional density functional theory (DFT) often fails to reconcile high accuracy with effi ciency. Here, we introduce Deep post-Hartree-Fock (DeePHF), machine learning framework that synergistically integrates neural networks quantum mechanical descriptors achieve CCSD(T)-level precision while retaining the efficiency DFT. By establishing direct mapping between...
Abstract The large-scale integration of renewable energy can promote cleaner and lower-carbon utilization; however, it adversely affects the safe stable operation power system. To address this issue, paper first establishes a mathematical model state-space for islanded photovoltaics via MMC-HVDC transmission Subsequently, integrates considerations steady-state electrical parameters small-signal stability to propose method calculating system’s domain. Based on this, study investigates domain...
Formation of highly unique and complex facial structures is controlled by genetic programs that are responsible for the precise coordination three-dimensional tissue morphogenesis. However, underlying mechanisms governing these processes remain poorly understood. We combined mouse genomic approaches to define normal defective midfacial Conditional inactivation Wnt secretion protein Wls in Pax3-expressing lineage cells disrupted frontonasal primordial patterning, cell survival directional...
Chemical reactions often have multiple pathways, the control of which is fundamental and practical importance. In this Letter, we examine dynamics O + HO2 → OH O2 reaction, plays an important role in atmospheric chemistry, using quasi-classical trajectories on a recently developed full-dimensional potential energy surface (PES). This reaction has two pathways leading to same products: H abstraction pathway (Oa HObOc OaH ObOc) ObH OaOc). Under thermal conditions, dominated by latter channel,...
Full-dimensional PES for the C 2 H + OH reaction has been developed at UCCSD(T)-F12b/cc-pVTZ-F12 level, and quasi-classical trajectory calculations from 298 to 3000 K were performed obtain dynamics information this multi-channel reaction.
Abstract Cranial neural crest (NC) cells migrate long distances to populate the future craniofacial regions and give rise various tissues, including facial cartilage, bones, connective cranial nerves. However, mechanism that drives fate determination of NC remains unclear. Using single-cell RNA sequencing combined genetic mapping, we reconstructed developmental trajectories cells, traced their differentiation in mouse embryos. We identified four major cell lineages at different status:...
This work reports six new full-dimensional adiabatic potential energy surfaces (PESs) of the N
The O(3P) + C2H2 reaction plays an important role in hydrocarbon combustion. It has two primary competing channels: H HCCO (ketenyl) and CO CH2 (triplet methylene). To further understand the microscopic dynamic mechanism of this reaction, we report here a detailed quasi-classical trajectory study on recently developed full-dimensional potential energy surface (PES). entrance barrier TS1 is rate-limiting reaction. translation reactants can greatly promote reactivity, due to strong coupling...
Keywords Acceleration, alienation, Critical Theory, dynamic stabilization, resonance, world relationship
The C2H2 + OH reaction is a key elementary in acetylene oxidation, and the products forming different channels, such as C2H CH3 radicals, are also important for subsequent processes combustion process. In this work, we investigated dynamics of with specific vibrational mode excitations analyzed specificity based on quasi-classical trajectory calculations recently developed full-dimensional potential energy surface. It found that exciting stretching can promote production H OCCH2 CO CH3,...
Abstract Background In addition to genomic risk variants and environmental influences, increasing evidence suggests epigenetic modifications are important for orofacial development their alterations can contribute clefts. Ezh2 encodes a core catalytic component of the Polycomb repressive complex responsible methyl marks Histone H3 as mechanism repressing target genes. The role in clefts remains unknown. Aims To investigate epithelial Ezh2‐dependent methylation secondary palatogenesis....