Copper(I) clusters have attracted significant interest due to their ultrasmall size, excellent photostability, large Stokes shift, and long emission lifetime. However, research on their structure–property relationship remains limited. In this s...
Photodynamic therapy (PDT) is an anticancer therapeutic modality with remarkable advantages over more conventional approaches. However, PDT is greatly limited by its dependence on external light sources. Given this, PDT would benefit from new systems...
Organic afterglow is a fascinating phenomenon with exceptional applications. However, it encounters challenges such as low intensity and efficiency, and typically requires UV-light excitation and facile intersystem crossing (ISC) due to its spin-forb...
This paper investigates the Electrode Induction Gas Atomization (EIGA) of a Class 4 tungsten heavy alloy (WHA-4) containing 97.8 wt.% W, with the balance comprising Ni and Fe. Compared with conventional tungsten heavy alloys containing less than 95 w...
This review represents a compendium of computational studies of relativistic effects on the NMR chemical shifts of light nuclei caused by the presence of heavy main group p-block elements in molecules. The narration starts from a brief discussion of...
This review compiles different analytical methods reported by the researchers studying heavy metal contents in seaweed samples from a variety of natural and commercial sources. Heavy metals in seaweed affect environmental health and human health due...
To examine the effects of weak intermolecular interactions on solid-phase extraction (SPE) and chromatographic separation, we synthesized some novel stationary phases with a heavy atom effect layer by immobilizing halogenated aromatic rings and hydro...
Volatile organic compounds (VOCs) are representative indoor air pollutants that negatively affect the human body owing to their toxicity. One of the most promising methods for VOC removal is photocatalytic degradation using TiO2. In this study, the a...
The in situ detection of trace heavy metal is very important for human health and environmental protection. In this paper, a novel and stable nebulized discharge excited by an alternating current (AC) power supply at atmospheric pressure is employed...
Photodynamic therapy (PDT) is a promising method for the treatment of cancer, because of its advantages including a low toxicity, non-drug-resistant character, and targeting capability. From a photochemical aspect, a critical property of triplet phot...
Photodynamic therapy (PDT) is an attractive method for cancer treatment. Triplet photosensitizers (PSs) are critical for this method; upon photoexcitation, efficient intersystem crossing (ISC) occurs for triplet PSs, the triplet-excited state of the...
This pioneering study utilizes Flame Atomic Absorption Spectroscopy (FAAS) and Picosecond Laser-Induced Breakdown Spectroscopy (Ps-LIBS) to quantify heavy metal contents in samples of Lactuca sativa L. and Trifolium alexandrinum L. collected from Ban...
To date, a large number of photosensitizers (PS) have introduced heavy atoms to improve the ISC process and 1O2 generation. However, they often show low efficiency in hypoxic conditions, aggregate states, and turn-off PDT in the dark. Besides that, t...
We performed a time-gated laser-spectroscopy study in a set of heavy-atom free single BODIPY fluorophores, supported by accurate, excited-state computational simulations of the key low-lying excited states in these chromophores. Despite the strong fl...
Charlotte Froese Fischer and Ian Philip Grant were both eminent in the numerical treatment of atomic structure theory. How do they still guide future work in “my” research sector, experimental atomic spectroscopy and lifetime measurements...
Membrane proteins reside in the lipid bilayer of biomembranes and the structure and function of these proteins are closely related to their interactions with lipid molecules. Structural analyses of interactions between membrane proteins and lipids or...
A common molecular design paradigm for optical power limiting (OPL) applications is to introduce heavy atoms that promote intersystem crossing and triplet excited states. In order to investigate this effect, three multi-branched fluorene molecules we...
A multiscale local effect model (LEM)-based framework was implemented to study the cell damage caused by the irradiation of clusters of gold nanoparticles (GNPs) under clinically relevant conditions. The results were compared with those obtained by a...
A broadband visible light-absorbing [70]fullerene-BODIPY-triphenylamine triad (C70-B-T) has been synthesized and applied as a heavy atom-free organic triplet photosensitizer for photooxidation. By attaching two triphenylmethyl amine units (TPAs) to t...
The photophysical properties of two classes of porphyrins and metalloporphyrins linked to N-heterocyclic carbene (NHC) Au(I) complexes have been investigated by means of density functional theory and its time-dependent extension for their potential a...
The chemical structure of a drug determines its physicochemical properties, further determines its ADME/Tox properties, and ultimately affects its pharmacological activity. Medicinal chemists can regulate the pharmacological activity of drug molecule...
Fluorescence spectra and lifetimes were determined for 16 synthetic flavylium cation analogues of anthocyanin plant pigments in dry acetonitrile acidified with trifluoroacetic acid (TFA). Phosphorescence was also observed from the lowest excited trip...
Heavy metal pollution, particularly from cadmium (Cd) and copper (Cu), poses significant environmental and health risks. To address the need for efficient, portable, and sensitive detection methods, this study introduces an improved atmospheric press...
The modulation of the photophysical properties of a series of recently synthetized oxobacteriochlorins with the introduction of heavy atoms in the macrocycles, was investigated at density functional level of theory and by means of the time-dependent...
Background/Objectives: Novel boron dipyrromethene derivatives with a heterocyclic, benzoxadiazole substituent were obtained as potential candidates for the photodynamic therapy (PDT) of cancers. Photochemical properties (e.g., singlet oxygen generati...
This work presents the synthesis, characterisation, photophysical properties, time-resolved spectroscopic behaviour, and biological evaluation of two structurally distinct heavy-atom-free BODIPY-anthracene dyads (BDP-1) and the newly designed 2,6-bis...
Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for electronic correlations in heavy atoms is a very difficult computational problem, and an optimization of the basis sets can reduce computationa...
We introduced atomic sulfur passivation to tune the surface sites of heavy metal-free ZnSe nanorods, with a Zn2+-rich termination surface, which are initially capped with organic ligands and under-coordinated with Se. The S2− ions from a sodium...
This article compares spectroscopic properties of the series of dipyrromethene dyes, namely their complexes of boron (III), zinc(II) and cadmium(II) with the halogenated ligands of the same structure. Absorption and emission spectra, lifetimes of lon...
Heavy metals constitute pollutants that are particularly common in air, water, and soil. They are present in both urban and rural environments, on land, and in marine ecosystems, where they cause serious environmental problems since they do not degra...
A complete form of the post version of the continuum distorted wave (CDW) theory is used to investigate the single ionization of multielectronic atoms by fast bare heavy ion beams. The influence of the non-ionized electrons on the dynamic evolution i...
Synthesis, photochemical properties, liposomal encapsulation, and in vitro photodynamic activity studies of novel BODIPY dimer connected at meso-meso positions and its brominated and iodinated analogs were described. UV-Vis measurements indicated tha...
Selective photodynamic therapy (PDT) for cancer cells is more efficient and much safer. Most selective PDTs are realized by antigene-biomarker or peptide-biomarker interactions. Here, we modified dextran with hydrophobic cholesterol as a photosensiti...
Within this work, we review the metal coordination effect on the photophysics of metal dipyrrinato complexes. Dipyrrinato complexes are promising candidates in the search for alternative transition metal photosensitizers for application in photodynam...
Films of 2-(azulen-1-yldiazenyl)-5-phenyl-1,3,4-thiadiazole (T) were successfully deposited on glassy carbon surfaces to prepare chemically modified electrodes (CMEs). Their surface characterization was analyzed by electrochemical impedance spectrosc...
The photodynamic properties of a series of non-halogenated, dibrominated and diiodinated BODIPYs with a phthalimido or amino end modification on the phenoxypentyl and phenoxyoctyl linker in the meso position were investigated. Halogen substitution su...
This study investigates the effect of incorporating heavy dopant atoms on the topological transitions in the energy spectrum of graphene, as well as on its thermodynamic properties. A tight-binding model is employed that incorporates a lattice compos...
The brewing process of craft beer can introduce contamination by heavy metals such as Cd, Pb, and Zn from various sources. Cadmium and lead metals are particularly worrisome because of their harmful effects on human health. This study aimed to evalua...
Antibiotic resistance of pathogenic bacteria dictates the development of novel treatment modalities such as antimicrobial photodynamic therapy (APDT) utilizing organic dyes termed photosensitizers that exhibit a high cytotoxicity upon light irradiati...
Fireworks are often used in celebrations and are a known transient source of extreme particulate air pollution, and the particles produced by fireworks are known to contain potentially harmful heavy metals. This study investigated ambient particulate...
BODIPY derivatives are promising scaffolds for triplet photosensitizers because of their strong absorption and tunable absorption range, but their dominant fluorescence decay and weak spin–orbit coupling hinder efficient intersystem crossing (I...
Marine Coelenterazine is one of the most well-known chemi-/bioluminescent systems, and in which reaction the chemi-/bioluminophore (Coelenteramide) is generated and chemiexcited to singlet excited states (leading to light emission). Recent studies ha...
Heavy atoms present challenges to atomic theory calculations due to the large number of electrons and their complicated interactions. Conventional approaches such as calculations based on Cowan’s code are limited and require a large number of p...
The contamination of food and beverages with heavy metals, such as Cd, presents significant health risks, underscoring the need for reliable and sensitive analytical methods. This study introduces the development of a rapid, cost-effective, and envir...
Environmental contamination from industrial activities remains a significant concern, with tanneries being major contributors of chromium (Cr) to aquatic systems. Cr, a heavy metal with multiple oxidation states, varies in toxicity and poses risks to...
The solvent-accessible surface area (SASA) of amino acid residues is a crucial parameter for protein structure analysis; however, precise computational methods such as FreeSASA are computationally expensive. As an alternative, empirical approximation...
9-Chloro-10-nitro-9,10-dihydroanthracene (anthracene nitrochloride, ANC), the intermediate of the Organic Syntheses route to 9-nitroanthracene (9-NA), was prepared on a 50 g scale in 93% yield with a stoichiometric amount (0.98 equiv) of 63% nitric a...
Accurate knowledge of the fine structure of low-ionisation-stage heavy elements is crucial for plasma modelling in stellar astronomy, galactic evolution studies, and nucleosynthesis investigations. The experimental determination of atomic energy leve...
The application of direct injection (DI) technology can effectively improve the atomization effect of heavy fuel to reduce the fuel loss of heavy fuel engines (HFE). The fuel spray characteristics directly affect the combustion performance of the eng...
The time-dependent close-coupling method has been recently applied to calculate electron-impact direct ionization cross sections for the Kr, W, and Pb atoms. An overview is presented for these three heavy neutral atom systems. When the direct ionizat...
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