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A protocol for the investigation of the intramolecular vibrational energy redistribution problem: the isomerization of nitrous acid as a case of study.

Phys Chem Chem Phys

January 2025

Institute of Chemistry, Department of Fundamental Chemistry, University of São Paulo, Av. Prof. Lineu Prestes, 748 - Butantã, São Paulo, 05508-900, Brazil.

The conformational isomerization of nitrous acid (HONO) promoted by excitation of the or stretching normal coordinates is the first observed case of an infrared-induced photochemical reaction. The energy captured by the excited normal modes is redistributed into a highly excited vibrational level of the torsion normal coordinate, which is the isomerization reaction coordinate. Herein, we present simple numerical methods to qualitatively investigate the coupling between the normal coordinates and the possible gateways for vibrational energy redistribution leading to the isomerization process.

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Fluoropolymer-Single Crystal Nanocomposite Based Transducer Fabrication for Bio-Imaging.

Adv Healthc Mater

January 2025

Department of Physical Sciences, Indian Institute of Science Education and Research Mohali, Knowledge City, Sector 81, SAS Nagar, Manauli, 140306, India.

Fluoropolymer alone, as an alternative to lead-based piezoelectric materials, has shown multiple challenges to develop useful sensors for solving real-world problems such as photoacoustic, ultrasound pulse echo, and other non-destructive testing. This work demonstrates the fabrication of high frequency and wide bandwidth transducers with fluoropolymer and highly polarizing cubic single crystal Barium titanate (BaTiO) ceramic composite for high resolution in-vivo photo-acoustic and ultrasound imaging. For transducer fabrication, a customized bio-compatible nanocomposite sensor film of PVDF-TrFE (Polyvinylidene fluoride trifluoroethylene)/BaTiO (BTO) is synthesized by drop and dry in heating-cum-electro-poling system for advancing polarization, crystallinity, and higher charge generation.

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The fast evaluation of the Jacobian is an essential part of the optimization of optical systems using the damped least-squares algorithm. While finite differences provide an intuitive way to approximate derivatives, algorithmic differentiation is a technique to evaluate them exactly. However, applying algorithmic differentiation to a ray tracing routine for optical systems with many parameters is computationally expensive, where the main costs are caused by the determination of the ray-surface intersection.

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Deep learning has become an attractive tool for addressing the limitations of traditional digital image correlation (DIC). However, extending learning-based DIC methods to three-dimensional (3D-DIC) measurements is challenging due to the limited displacement estimation range, which cannot handle the large displacements caused by stereo-matching disparities. Besides, most of the existing learning-based DIC architectures lack prior information to guide displacement estimation, resulting in insufficient accuracy.

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Hollow mesoporous silica nanoparticles for drug formulation and delivery: Opportunities for cancer therapy.

Colloids Surf B Biointerfaces

January 2025

Shaanxi Key Laboratory of Catalysis, School of Chemistry and Environment Science, Shaanxi University of Technology, No.1 East 1st Ring Road, Hanzhong, Shaanxi 723001, PR China.

The advantages of large surface area, high volume ratio, good biocompatibility, and controllable surface functionalization make hollow mesoporous silica nanoparticles (HMSNs) an ideal drug carrier. HMSNs can achieve high efficiency, targeting, and controlled release by adjusting the microstructure and surface modification of its particles, which makes it broad application prospects in the field of medical therapy, especially in cancer therapy. Numerous studies have shown that preparation method, shape, particle size, hollow inner diameter, aperture and wall thickness of the HMSNs, the characteristics of the drugs, the interaction between the drugs and the carriers, and the external environment all closely affect the drug delivery, release, and efficacy.

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