Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Electrostatic Boundary Conditions01:16

Electrostatic Boundary Conditions

954
Consider an external electric field propagating through a homogeneous medium. When the electric field crosses the surface boundary of the medium, it undergoes a discontinuity. The electric field can be resolved into normal and tangential components. The amount by which the field changes at any boundary is given by the difference between the field components above and below the surface boundary.
The surface integral of an electric field is given by Gauss's law in integral form and is related to...
954
Electrostatic Boundary Conditions in Dielectrics01:27

Electrostatic Boundary Conditions in Dielectrics

1.9K
When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's permittivity....
1.9K
What are Estimates?01:06

What are Estimates?

8.8K
It isn't easy to measure a parameter such as the mean height or the mean weight of a population. So, we draw samples from the population and calculate the mean height or mean weight of the individuals in the sample. This sample data acts as a representative measure of the population parameter. These sample statistics are known as estimates. 
The estimate for the mean of a sample is denoted by ͞x, whereas the mean of the population is designated as μ. Further, parameters such...
8.8K
Estimation of k and VD of Aminoglycosides01:20

Estimation of k and VD of Aminoglycosides

237
Aminoglycosides are a class of antibiotics used to treat various bacterial infections. Clinicians must determine the elimination rate constant (k) and volume of distribution (VD) to optimize therapeutic efficacy and minimize toxicity. The k value represents the rate at which the drug is removed from the body, and the VD reflects the degree to which the drug distributes into body tissues. Accurately estimating these parameters allows healthcare professionals to tailor drug dosing to individual...
237
Framing Effects03:26

Framing Effects

7.9K
Information is everywhere and its presentation—such as how and when items are presented—can impact our perceptions and decisions surrounding the info. This broad concept umbrellas framing effects—influences that occur due to the way information is framed in its appearance, whether it’s purely the order or the specific wording of a message. Let’s take a look at numerous ways in which two versions of something can objectively say the same thing, yet we respond in...
7.9K
Potential Energy00:52

Potential Energy

42.7K
The energy stored by a structure and location of matter in space is called potential energy. For instance, raising a kettlebell changes its spatial location and increases its potential energy. Similarly, a stretched rubber band contains potential energy which, under certain conditions, can be converted into other forms of energy, such as kinetic energy.
Chemical bonds that form attractive forces between atoms also contain potential energy, called chemical energy. When a chemical reaction...
42.7K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Programming the Excited-State Landscape Via Carborane Count for Dual TADF/RTP.

The journal of physical chemistry letters·2026
Same author

Symmetry-breaking strategy for enhanced oscillator strength in inverted singlet-triplet (INVEST) emitters for OLED applications.

Physical chemistry chemical physics : PCCP·2025
Same author

Benchmarking Isotropic and Anisotropic Polarization Force Fields against ALMO/DFT for Charge Carrier Stabilization in Organic Semiconductors.

The journal of physical chemistry. A·2025
Same author

External electric fields drive the formation of P → C dative bonds.

Chemical science·2025
Same author

Crystallization-Induced Emission Enhancement or Quenching? Elucidating the Mechanism behind Using Single-Molecule-Based Versatile Crystals.

The journal of physical chemistry letters·2025
Same author

A first-principles study of organic Lewis bases for passivating tin-based perovskite solar cells.

Physical chemistry chemical physics : PCCP·2024

Related Experiment Video

Updated: Jan 29, 2026

Patient-specific Modeling of the Heart: Estimation of Ventricular Fiber Orientations
12:09

Patient-specific Modeling of the Heart: Estimation of Ventricular Fiber Orientations

Published on: January 8, 2013

14.1K

State-specific electrostatic potential descriptors for estimating solvatochromic effects.

Lulu Wang1, Shiwei Yin2

  • 1Key Laboratory for Macromolecular Science of Shaanxi Province, School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi'an, 710062, Shaanxi, China.

Journal of Molecular Modeling
|February 13, 2019
PubMed
Summary

A new state-specific descriptor (SSD) explains solvatochromic effects in fluorescent probes, overcoming limitations of the Lippert-Mataga model. This method accurately predicts solvent shifts for polarity-sensitive molecules.

Keywords:
Non-equilibrium implicit solvation modelPolarity-sensitive probeSolvatochromismState-specific descriptor

More Related Videos

Electrostatic Method to Remove Particulate Organic Matter from Soil
04:40

Electrostatic Method to Remove Particulate Organic Matter from Soil

Published on: February 10, 2021

5.2K
Electrophysiological Motor Unit Number Estimation MUNE Measuring Compound Muscle Action Potential CMAP in Mouse Hindlimb Muscles
09:07

Electrophysiological Motor Unit Number Estimation MUNE Measuring Compound Muscle Action Potential CMAP in Mouse Hindlimb Muscles

Published on: September 25, 2015

22.2K

Related Experiment Videos

Last Updated: Jan 29, 2026

Patient-specific Modeling of the Heart: Estimation of Ventricular Fiber Orientations
12:09

Patient-specific Modeling of the Heart: Estimation of Ventricular Fiber Orientations

Published on: January 8, 2013

14.1K
Electrostatic Method to Remove Particulate Organic Matter from Soil
04:40

Electrostatic Method to Remove Particulate Organic Matter from Soil

Published on: February 10, 2021

5.2K
Electrophysiological Motor Unit Number Estimation MUNE Measuring Compound Muscle Action Potential CMAP in Mouse Hindlimb Muscles
09:07

Electrophysiological Motor Unit Number Estimation MUNE Measuring Compound Muscle Action Potential CMAP in Mouse Hindlimb Muscles

Published on: September 25, 2015

22.2K

Area of Science:

  • Photochemistry
  • Computational Chemistry
  • Materials Science

Background:

  • The Lippert-Mataga equation models solvatochromism using point-dipole interactions.
  • A large ground-state and excited-state dipole moment change is typically required for polarity-sensitive fluorescent probes.
  • Some symmetric probes exhibit solvatochromism despite minimal dipole moment changes, challenging the Lippert-Mataga model.

Purpose of the Study:

  • To develop a novel method for estimating molecular solvent shifts beyond the Lippert-Mataga model.
  • To explain the solvatochromic behaviors of coumarin C153 and center-symmetric DCB-1d.
  • To introduce a state-specific descriptor (SSD) based on molecular surface electrostatic potentials (ESP).

Main Methods:

  • Proposed a state-specific descriptor (SSD) utilizing molecular surface electrostatic potentials (ESP).
  • Applied the SSD to analyze the solvatochromic effects of coumarin C153 and DCB-1d.
  • Validated the SSD against experimental solvent shifts and time-dependent density functional theory (TD-DFT) calculations.
  • Tested the SSD with eight selected polarity-sensitive fluorescent molecules.

Main Results:

  • The SSD successfully explains the solvatochromic effects of coumarin C153 and DCB-1d.
  • The SSD provides accurate predictions, contrasting with the limitations of the Lippert-Mataga model for certain molecules.
  • A good linear relationship was observed between the SSD and experimental solvatochromism for tested molecules.

Conclusions:

  • The state-specific descriptor (SSD) offers a more accurate approach to understanding solvatochromic effects in fluorescent probes.
  • The SSD method is effective for molecules with varying dipole moment characteristics, including those with center symmetry.
  • This descriptor advances the design and prediction of polarity-sensitive fluorescent materials.