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相关论文: Isotachophoresis applied to chemical reactions

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Isotachophoresis (ITP) is a versatile electrophoretic technique which can be used for sample preconcentration, separation, purification, mixing, and control and acceleration of chemical reactions. Although the basic technique is nearly a…

化学物理 · 物理学 2022-03-30 Ashwin Ramachandran , Juan G. Santiago

Lateral flow (LF) immunoassays are one of the most prevalent point-of-care (POC) diagnostics due to their simplicity, low cost, and robust operation. A common criticism of LF tests is that they have poor detection limits compared to…

化学物理 · 物理学 2014-10-15 Babak Y. Moghadam , Kelley T. Connelly , Jonathan D. Posner

The development of computational models for the numerical simulation of chemically reacting flows operating in the turbulent regime requires the solution of partial differential equations that represent the balance of mass, linear momentum,…

流体动力学 · 物理学 2021-06-03 Americo Cunha , Luis Fernando Figueira da Silva

Electrochemical reactions are highly sensitive to the physical and chemical environment near the electrodes. Thus, controlling the electrolyte ionic composition and the electrochemical potential of specific ions can modify the overpotential…

Retrosynthesis analysis is pivotal yet challenging in drug discovery and organic chemistry. Despite the proliferation of computational tools over the past decade, AI-based systems often fall short in generalizing across diverse reaction…

机器学习 · 计算机科学 2024-08-21 Yifei Yang , Runhan Shi , Zuchao Li , Shu Jiang , Bao-Liang Lu , Yang Yang , Hai Zhao

We present a new and versatile implementation of rapid and localized immunohistochemical staining of tissue sections. Immunohistochemistry (IHC) allows to detect specific proteins on tissue sections and comprises a sequence of specific…

组织与器官 · 定量生物学 2021-05-18 Robert D. Lovchik , David Taylor , Govind Kaigala

Finding optimal pathways in chemical reaction networks is essential for elucidating and designing chemical processes, with significant applications such as synthesis planning and metabolic pathway analysis. Such a chemical pathway-finding…

量子物理 · 物理学 2024-01-31 Yuta Mizuno , Tamiki Komatsuzaki

The introduction of femto-chemistry has made it a primary goal to follow the nuclear and electronic evolution of a molecule in time and space as it undergoes a chemical reaction. Using Coulomb Explosion Imaging we have shot the first…

Fast and accurate sampling method is in high demand, in order to bridge the large gaps between molecular dynamic simulations and experimental observations. Recently, integrated tempering enhanced sampling method (ITS) has been proposed and…

数值分析 · 数学 2018-06-22 Zhiyi You , Liying Li , Jianfeng Lu , Hao Ge

The search for pathways that optimize the formation of a particular target molecule in a reaction network is a key problem in many settings, including reactor systems. Chemical reaction networks are mathematically well represented as…

分子网络 · 定量生物学 2025-06-17 Adittya Pal , Rolf Fagerberg , Jakob Lykke Andersen , Christoph Flamm , Peter Dittrich , Daniel Merkle

Over the past years, radiofrequency ion traps have become an attractive platform for studying chemical reactions as they enable a high degree of control over ion-molecule dynamics. In this review, we summarize techniques for the trapping…

化学物理 · 物理学 2025-10-13 Prerna Paliwal , Jutta Toscano , Stefan Willitsch

Interpreting spectroscopy data is a critical bottleneck in automating chemical research and industrial characterization. Particularly within infrared (IR) spectroscopy, identifying compounds in complex, liquid-phase chemical mixtures…

材料科学 · 物理学 2026-02-26 Yannah J. U. Melle , Thanh Nguyen , Jeffrey Lopez , Daniel Schwalbe-Koda

Industrial control systems (ICSs) increasingly rely on digital technologies vulnerable to cyber attacks. Cyber attackers can infiltrate ICSs and execute malicious actions. Individually, each action seems innocuous. But taken together, they…

密码学与安全 · 计算机科学 2024-12-20 Arthur Amorim , Trevor Kann , Max Taylor , Lance Joneckis

A wide variety of reactions are reported to be dramatically accelerated in aqueous microdroplets, making them a promising platform for environmentally clean chemical synthesis. However to fully utilize the microdroplets for accelerating…

化学物理 · 物理学 2024-11-05 R. Allen LaCour , Joseph P. Heindel , Ruoqi Zhao , Teresa Head-Gordon

Interacting-Particle Reaction Dynamics (iPRD) simulates the spatiotemporal evolution of particles that experience interaction forces and can react with one another. The combination of interaction forces and reactions enable a wide range of…

化学物理 · 物理学 2018-07-20 Christoph Fröhner , Frank Noé

Interactive theorem provers (ITPs) are powerful tools for the formal verification of mathematical proofs down to the axiom level. However, their lack of a natural language interface remains a significant limitation. Recent advancements in…

计算机科学中的逻辑 · 计算机科学 2025-07-01 Xiaolin Hu , Qinghua Zhou , Bogdan Grechuk , Ivan Y. Tyukin

Intrinsically disordered proteins (IDPs) are typically low in nonpolar/hydrophobic but relatively high in polar, charged, and aromatic amino acid compositions. Some IDPs undergo liquid-liquid phase separation in the aqueous milieu of the…

生物大分子 · 定量生物学 2017-05-19 Yi-Hsuan Lin , Jianhui Song , Julie D. Forman-Kay , Hue Sun Chan

Here we focus on the challenge of verifying the correctness of molecular implementations of abstract chemical reaction networks, where operation in a well-mixed "soup" of molecules is stochastic, asynchronous, concurrent, and often involves…

计算工程、金融与科学 · 计算机科学 2019-10-01 Seung Woo Shin , Chris Thachuk , Erik Winfree

Instanton theory is an established method to calculate rate constants of chemical reactions including atom tunneling. Technical and methodological improvements increased its applicability. Still, a large number of energy and gradient…

化学物理 · 物理学 2020-09-10 Jan Meisner , Johannes Kästner

At the Institute for Thermodynamics and Thermal Process Engineering (ITT) about 100 molecular models for pure substances have been developed so far. These models reproduce vapor pressure, saturated liquid density, and enthalpy of…

计算物理 · 物理学 2009-04-22 Bernhard Eckl , Martin Horsch , Jadran Vrabec , Hans Hasse
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