From Molecule to Aggregate: Understanding AIE through Multiscale Experimental and Computational Techniques DOI

Deeksha Rajput,

Sanyam Sanyam,

Gaurav Rawat

et al.

The Journal of Physical Chemistry B, Journal Year: 2024, Volume and Issue: 128(50), P. 12559 - 12570

Published: Dec. 10, 2024

Aggregation-induced emission (AIE) phenomena have garnered significant attention due to their applications in various fields, ranging from materials science biomedicine. Despite substantial progress, the underlying mechanism governing AIE activity of molecules remains elusive. This study employs a comprehensive and multiscale approach, combining experimental theoretical methodologies, discern determinants activity. Our investigations involve synthesizing four organic with D-π–A-D architecture, accompanied by quantum mechanics (QM) molecular dynamics (MD) simulations, providing deep understanding interactions within aggregates. The symmetry-adapted perturbation theory (SAPT) calculations further corroborate our findings, revealing clear correlation between type aggregate formed. Specifically, we demonstrate that AIE-active exhibit distinctive J-type aggregation characterized enhanced S1 state. In contrast, AIE-inactive adopt an H-type configuration, where state is constrained. addition, investigated subcellular localization molecules, lipid droplets. findings contribute fundamental provide insights into design principles for potential advanced sensing imaging technologies.

Language: Английский

A contemporary overview on quantum dots-based fluorescent biosensors: Exploring synthesis techniques, sensing mechanism and applications DOI

Anushka Yadav,

Priyanka Dogra, Pinky Sagar

et al.

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Journal Year: 2025, Volume and Issue: 335, P. 126002 - 126002

Published: March 7, 2025

Language: Английский

Citations

0
A Patient-Centered Approach in Sensor Science: Embracing Patient Engagement for Translational Clinical Technologies DOI

Alana F. Ogata,

Julia Kramer

ACS Sensors, Journal Year: 2025, Volume and Issue: unknown

Published: March 19, 2025

With the goal of impacting patient quality life and outcomes, sensor science offers significant potential to revolutionize healthcare by providing advances in detection molecular biomarkers for personalized clinical technologies. The community has achieved technical advancements that can impact diagnostics, health monitoring, disease treatment; however, many innovations remain confined laboratory, failing bridge translational gap between research real-world applications. This perspective presents a new direction community, where development centers on needs experiences primary beneficiaries: patients. We provide guidelines resources researchers engage with patients early continuously throughout process inform specifications better align technologies needs, improving their adoption impact. also present examples implementing patient-centered approach planning engagement research. In design impactful sensors patients, must expand focus beyond embrace approach, which will likely lead opportunities collaboration evolution community.

Language: Английский

Citations

0
Harnessing the power of iridium AIEgens for NAD(P)H detection in aqueous medium and living cells DOI
Ajay Gupta,

Aryan Gautam,

Sridhar Patra

et al.

Chemical Communications, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

A rapid, sensitive, and specific detection of NAD(P)H in aqueous medium the mitochondria living cells was achieved using an iridium-based AIEgen probe.

Language: Английский

Citations

0
Aggregation-induced emission(AIE)for Next-Generation Biosensing and Imaging : A review DOI
K. J. Ren, Bruce Zhang, Jiuchuan Guo

et al.

Biosensors and Bioelectronics, Journal Year: 2024, Volume and Issue: 271, P. 117067 - 117067

Published: Dec. 14, 2024

Language: Английский

Citations

2
From Molecule to Aggregate: Understanding AIE through Multiscale Experimental and Computational Techniques DOI

Deeksha Rajput,

Sanyam Sanyam,

Gaurav Rawat

et al.

The Journal of Physical Chemistry B, Journal Year: 2024, Volume and Issue: 128(50), P. 12559 - 12570

Published: Dec. 10, 2024

Aggregation-induced emission (AIE) phenomena have garnered significant attention due to their applications in various fields, ranging from materials science biomedicine. Despite substantial progress, the underlying mechanism governing AIE activity of molecules remains elusive. This study employs a comprehensive and multiscale approach, combining experimental theoretical methodologies, discern determinants activity. Our investigations involve synthesizing four organic with D-π–A-D architecture, accompanied by quantum mechanics (QM) molecular dynamics (MD) simulations, providing deep understanding interactions within aggregates. The symmetry-adapted perturbation theory (SAPT) calculations further corroborate our findings, revealing clear correlation between type aggregate formed. Specifically, we demonstrate that AIE-active exhibit distinctive J-type aggregation characterized enhanced S1 state. In contrast, AIE-inactive adopt an H-type configuration, where state is constrained. addition, investigated subcellular localization molecules, lipid droplets. findings contribute fundamental provide insights into design principles for potential advanced sensing imaging technologies.

Language: Английский

Citations

0