A5025247214- nanoparticles nucleation surface interactions
- Atmospheric chemistry and aerosols
- Physiological and biochemical adaptations
- Bioinformatics and Genomic Networks
- Advanced Thermodynamics and Statistical Mechanics
- Micro and Nano Robotics
- Nonlinear Dynamics and Pattern Formation
- Gene expression and cancer classification
- Atmospheric aerosols and clouds
- Catalytic Processes in Materials Science
- Metal-Organic Frameworks: Synthesis and Applications
- Computational Drug Discovery Methods
- Genomics and Phylogenetic Studies
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Metal Extraction and Bioleaching
- RNA and protein synthesis mechanisms
- Opinion Dynamics and Social Influence
- Minerals Flotation and Separation Techniques
- Material Dynamics and Properties
- Radioactive element chemistry and processing
- Aquaculture disease management and microbiota
- Complex Network Analysis Techniques
- Gut microbiota and health
- Air Quality Monitoring and Forecasting
NewYork–Presbyterian Hospital
2025
Cornell University
2023-2025
Central South University
2023-2025
Peking University
2024-2025
University of Chicago
2021-2025
Sichuan University
2023-2025
New York Hospital Queens
2025
Presbyterian Hospital
2025
State Key Joint Laboratory of Environment Simulation and Pollution Control
2024
University of Illinois Chicago
2024
Ice nucleation in the atmosphere influences cloud properties, altering precipitation and radiative balance, ultimately regulating Earth’s climate. An accepted ice pathway, known as deposition nucleation, assumes a direct transition of water from vapor to phase, without an intermediate liquid phase. However, studies have shown that occurs through phase porous particles with narrow cracks or surface imperfections where condensation below saturation can occur, questioning validity nucleation....
Organisms that thrive at cold temperatures produce ice-binding proteins to manage the nucleation and growth of ice. Bacterial ice-nucleating (INP) are typically large form aggregates in cell membrane, while insect hyperactive antifreeze (AFP) soluble generally small. Experiments indicate larger their nucleate ice warmer temperatures. Nevertheless, a quantitative understanding how size aggregation determine temperature Thet which is still lacking. Here, we address this question using...
Heterogeneous nucleation of ice induced by organic materials is fundamental importance for climate, biology, and industry. Among ice-nucleating surfaces, monolayers long chain alcohols are particularly effective, while fatty acids significantly less so. As these expose to water hydroxyl groups with an order that resembles the one in basal plane ice, it was proposed lattice matching between surface controls their efficiency. Organic soft display significant fluctuations. It has been...
Cold-adapted organisms produce antifreeze and ice-nucleating proteins to prevent promote ice formation. The crystal structure of hyperactive bacterial protein (AFP) MpAFP suggests that this binds through an anchored clathrate motif. It is not known whether other AFPs (INPs) use the same motif recognize or nucleate ice. Here we molecular simulations elucidate ice-binding motifs insect a model INP Pseudomonas syringae. We find distinct from MpAFP. By performing nucleation by PsINP, identify...
Hyperactive insect antifreeze proteins and bacterial ice-nucleating are arguably the most potent ice-binding molecules in nature. These highly effective bind ice through amphiphilic sites based on arrays of threonine residues. It remains poorly understood how hydrophilic hydrophobic groups binding site contribute to affinity proteins. Here, we use molecular simulations demonstrate that hydrogen-bonding at protein TmAFP Tenebrio molitor extended surfaces distinctively yet almost equally...
Coarse-grained models are becoming a competitive alternative for modeling processes that occur over time and length scales beyond the reach of fully atomistic molecular simulations. Ideally, coarse-grained should not only achieve high computational efficiency but also provide accurate predictions fundamental insight into role interactions, characteristic behavior, properties system they model. In this work we derive series monatomic water mX(REM) from most popular X = TIP3P, SPC/E, TIP4P-Ew,...
Antifreeze proteins (AFPs) inhibit ice growth in organisms living cold environments. Hyperactive insect AFPs are particularly effective, binding through "anchored clathrate" motifs. It has been hypothesized that the of hyperactive to is facilitated by preordering water at ice-binding site (IBS) protein solution. The antifreeze TmAFP displays best matching its ice, making it optimal candidate develop ice-like order Here we use multiresolution simulations unravel mechanism which recognizes and...
Abstract. Ozone (O3) pollution is posing significant challenges to urban air quality improvement in China. The formation of surface O3 intricately linked chemical reactions which are influenced by both meteorological conditions and local emissions precursors (i.e., NOx volatile organic compounds, VOCs). When deteriorate, the atmosphere's capacity cleanse pollutants decreases, leading accumulation pollutants. Although a series emission reduction measures have been implemented areas,...
Detecting community structure in complex networks is a fundamental but challenging topic network science. Modularity measures, such as widely used modularity function Q and recently suggested density D, play critical roles quality indices partitioning into communities. In this letter, we reveal the behaviors of optimization under different definitions by an analytic study. Surprisingly, find that addition to resolution limit revealed recent study, both D suffer from more serious limitation,...
The morphology of liquid-liquid phase separated aerosols has a strong impact on their rate gas and water uptake, the type heterogeneous reactions in atmosphere. However, it is extremely challenging to experimentally distinguish different morphologies (core-shell or partial wetting) quantify extent wetting between two phases. aim this work quantitatively predict from fundamental physical properties aerosol We determine equilibrium structure through free energy minimization that contact angle...
Heterogeneous ice nucleation in the atmosphere regulates cloud properties, such as phase (ice versus liquid) and lifetime. Aerosol particles of marine origin are relevant nucleating particle sources when aerosol layers lifted over mountainous terrain higher latitude ocean boundary layers, distant from terrestrial sources. Among many compositions associated with by sea spray aerosols highly saturated fatty acids. Previous studies have not demonstrated their ability to freeze dilute water...
Generating electricity from a salinity gradient, known as osmotic power, provides sustainable energy source, but it requires precise nanoscale control of membranes for maximum performance. Here, we report an ultrathin membrane, where molecule-specific short-range interactions enable giant gateable power with record high density (2 kW/m2 1 M∥1 mM KCl). Our are charge-neutral two-dimensional polymers synthesized molecular building blocks and operate in Goldilocks regime that simultaneously...
Abstract Background The accumulation of high-throughput data greatly promotes computational investigation gene function in the context complex biological systems. However, a is not simply controlled by an individual since genes cooperative manner to achieve processes. In study human diseases, rather than discover disease related genes, identifying associated pathways and modules becomes essential problem field systems biology. Results this paper, we propose novel method detect or...
Premelting of ice at temperatures below 0 °C is fundamental importance for environmental processes. Various experimental techniques have been used to investigate the temperature which liquid-like water first appears ice-vapor interface, reporting onset from -160 -2 °C. The signals that identify order interface in these studies, however, do not show a sharp initiation with temperature. That odds expected first-order nature surface phase transitions, and consistent recent large-scale molecular...
Abstract Background Insulin feedback is a critical mechanism responsible for the poor clinical efficacy of phosphatidylinositol 3-kinase (PI3K) inhibition in cancer, and hyperglycemia an independent factor associated with prognosis glioblastoma (GBM). We investigated combination anti-hyperglycemic therapy mouse model GBM evaluated association glycemic control trial data from patients GBM. Methods The effect regimens, metformin ketogenic diet, was PI3K patient-derived cells orthotopic model....
Optical sensing methods offer a convenient noncontact approach to monitor different environmental parameters with high spatial resolution and fast response times. Temperature monitoring can benefit from optical using luminescent nanoprobes, but many of those substances are toxic or expensive. Carbon dots class colloidal nanoparticles that have recently gained recognition as probes, which easy produce by environmentally friendly synthesis, nontoxic, stable. While carbon show...
Developing metal–organic materials (MOMs) with chemical robustness is a prerequisite to exploring their intriguing properties and applications. As part of continuing effort construct robust MOMs featuring chelated building units, here we introduce "bent" thiophene-2,5-dihydroxamate ligand multiple intrinsic conformations when it used as chelating linkage. This approach should further diversify the coordination chemistry in hydroxamate-based MOM structures without compromising stability. In...
Cell polarization, migration, and cytokinesis rely on flows of the cell cortex, a network actin filaments, cross-linkers, motors beneath plasma membrane animal cells. While architecture, assembly dynamics, motor activity are known to be important for cortical flows, how their modulation tunes macroscopic flow dynamics remains poorly quantified in vivo. Here, we use quantitative microscopy constrain agent-based simulations that account filament assembly, crosslinking, activity. We calibrate...
A bifunctional “soft and hard” pyridine-hydroxamate ligand was used to construct a series of robust Cu-MOFs. Theoretical analysis experimental data revealed the Cu-MOFs’ differential properties potential for photocatalytic CO 2 reduction.
We present a comprehensive approach to enable the high-throughput screening and analysis of amorphous porous carbon (APC) materials as effective I2 sorbents for nuclear industry. A diverse virtual database 19,599 APC models was established from scratch through liquid quenching molecular dynamics simulations. Large-scale grand canonical Monte Carlo simulation at series concentrations carried out sampled APCs generate an array adsorption capacities. Machine learning SHapley Additive...
This cohort study examines correlations between underrepresented-in-medicine and female faculty representation, retention, promotion general surgery resident attrition at a national level.
Objectives: This study aims to provide a comprehensive update on the representation of women in academic surgery by specialty, measuring progress and opportunity with regard “breaking” glass ceiling at trainee, faculty, department chair levels. Background: Over past two decades, initiatives have contributed educational awareness, culture shifts, focus inclusive excellence surgery, leading an increase number surgeons. Despite progress, persistent gender gap surgical faculty positions remains,...