172 Results Found

The presence of a large number of boron atoms in boron clusters make them attractive tools for the treatment of cancer using boron neutron capture therapy (BNCT). Since the quantity of boron atoms present in the target cell directly affects the effec...

In this work, we have observed that some chiral boron clusters (${\mathrm{B}}_{16}^{-}$, ${\mathrm{B}}_{20}^{-}$, ${\mathrm{B}}_{24}^{-}$, and ${\mathrm{B}}_{28}^{-}$) can simultaneously have helical molecular orbitals and helical spin densities; these seem to be the first compounds discovered to have...

In the recently introduced phenomenological diatomic molecular model imagining the clusters as certain constructions of pair interatomic chemical bonds, there are estimated specific (per atom) binding energies of small all-boron planar clusters B_n, n...

We present an investigation on the structures and chemical bonding of two Bi-doped boron clusters BiB_n⁻ (n = 4, 5) using photoelectron spectroscopy and theoretical calculations. The electron affinities of BiB₄ and BiB₅ are measured to be 2.22(2...

Poly(amidoamine) (PAMAM) and poly-L-lysine (PLL) dendrimers have emerged as highly versatile macromolecular platforms with significant potential in biomedical applications, owing to their well-defined architecture, tunable surface chemistry, and capa...

New boron carriers with high boron content and targeted cancer-cell delivery are considered the first choice for boron neutron capture therapy (BNCT) for cancer treatment. Previously, we have shown that composites of antisense oligonucleotide and bor...

We report a comprehensive theoretical investigation on phosphorus–boron mixed neutral, anionic, and cationic clusters P₂B_n/P₂B_n⁻/P₂B_n⁺ (n = 3–7) with two phosphorus atoms and three to seven boron atoms. We reveal the common characte...

The present study is a theoretical investigation into the structural evolution, electronic properties, and photoelectron spectra of phosphorus-doped boron clusters PB_n^0/− (n = 3–17). The results of this study revealed that the lowest ener...

A theoretical research of structural evolution, electronic properties, and photoelectron spectra of selenium-doped boron clusters SeB_n^0/− (n = 3–16) is performed using particle swarm optimization (CALYPSO) software in combination with den...

Boron cluster-conjugated antisense oligonucleotides (B-ASOs) have already been developed as therapeutic agents with “two faces”, namely as potential antisense inhibitors of gene expression and as boron carriers for boron neutron capture t...

High boron content systems were prepared by the peripheral functionalisation of 1,3,5-triphenylbenzene (TPB) and octavinylsilsesquioxane (OVS) with two different anionic boron clusters: closo-dodecaborate (B₁₂) and cobaltabisdicarbollide (COSAN). TPB...

Epidermal growth factor receptor (EGFR) is one of the most promising molecular targets for anticancer therapy. We used boron clusters as a platform for generation of new materials. For this, functional DNA constructs conjugated with boron clusters (B...

Magnetic clusters have attracted great attention and interest due to their novel electronic properties, and they have potential applications in nanoscale information storage devices and spintronics. The interaction between magnetic clusters and subst...

This paper reports the computational study of phosphorus-doped boron clusters PB_n/${\mathrm{P}\mathrm{B}}_{\mathrm{n}}^{–}$/${\mathrm{P}\mathrm{B}}_{\mathrm{n}}^{+}$ (n = 4–8). First, a global search and optimization of these clusters were performed to determine the stable structures. We used density functional...

Among the great variety of anti-cancer therapeutic strategies, boron neutron capture therapy (BNCT) represents a unique approach that doubles the targeting accuracy due to the precise positioning of a neutron beam and the addressed delivery of boron...

Here, we present composites and materials that can be prepared starting with boron hydride cluster compounds (decaborane, decahydro-closo-decaborate and dodecahydro-closo-dodecaborate anions and carboranes). Recent examples of their utilization as bo...

Doping alkali metals into boron clusters can effectively compensate for the intrinsic electron deficiency of boron and lead to interesting boron-based binary clusters, owing to the small electronegativity of the former elements. We report on the comp...

Traditionally, drugs were obtained by extraction from medicinal plants, but more recently also by organic synthesis. Today, medicinal chemistry continues to focus on organic compounds and the majority of commercially available drugs are organic molec...

Inverse sandwich clusters composed of a monocyclic boron ring and two capping transition metal atoms are interesting alloy cluster systems, yet their chemical bonding nature has not been sufficiently elucidated to date. We report herein on the theore...

Together with tremendous progress in biotechnology, nucleic acids, while retaining their status as “molecules of life”, are becoming “molecular wires”, materials for the construction of molecular structures at the junction bet...

We explore the quantum capacitance, stability, and electronic properties of single-walled carbon nanotubes decorated with B12 icosahedral boron clusters by first-principle calculation methods implemented in the SIESTA code. After the optimization of...

In this review, the history of boron’s early use in drugs, and the history of the use of boron functional groups in medicinal chemistry applications are discussed. This includes diazaborines, boronic acids, benzoxaboroles, boron clusters, and c...

Atomic clusters exhibit properties that fall between those found for individual atoms and bulk solids. Small boron clusters exhibit planar and quasiplanar structures, which are novel materials envisioned to serve as a platform for designing nanodevic...

Exfoliation of two-dimensional boron nitride nanosheets (BNNSs) from parent bulk material has been receiving intensive attention because of its fascinating physical properties. Liquid exfoliation is a simple, scalable approach to produce single-layer...

Support effect is an important issue in heterogeneous catalysis, while the explicit role of a catalytic support is often unclear for catalytic reactions. A systematic density functional theory computational study is reported in this paper to elucidat...

In this work, we studied lead(II) and cobalt(II) complexation of derivatives [2-B₁₀H₉O(CH₂)₂O(CH₂)₂N₃]²⁻ and [2-B₁₀H₉O(CH₂)₅N₃]²⁻ of the closo-decaborate anion containing pendant azido groups in the presence of 1,10-phenanthroline and 2,2...

Oligonucleotide conjugates with boron clusters have found applications in different fields of molecular biology, biotechnology, and biomedicine as potential agents for boron neutron capture therapy, siRNA components, and antisense agents. Particularl...

Adenosine receptors are involved in many physiological processes and pathological conditions and are therefore attractive therapeutic targets. To identify new types of effective ligands for these receptors, a library of adenosine derivatives bearing...

The aromatic boron cluster B₈^2– (D_7h) has similar π bonding to C₆H₆, which is named “borozene”. The B₈^2– ligand has been observed to stabilize monovalent Ln(+I) in C_7v-LnB₈⁻ (Ln = La, Pr, Tb, Tm, and Yb) borozene comp...

The development of highly selective and sensitive gas sensors is essential for detecting toxic pollutants, such as carbon monoxide (CO), which pose severe health and environmental risks. In this work, the adsorption of CO molecules on Ni_6−xCu_x...

Anionic boron clusters, such as [B₁₂X₁₂]²⁻ (X = Cl, Br, I), have attracted attention in pharmaceuticals due to their unique superchaotropic properties. In particular, [B₁₂Br₁₂]²⁻ (1) has demonstrated strong interactions with biomolecules,...

BNCT is a non-invasive cancer therapy that allows for cancer cell death without harming adjacent cells. However, the application is limited, owing to the challenges of working with clinically approved boron (B) compounds and drug delivery systems (DD...

Antisense oligonucleotides conjugated with boron clusters (B-ASOs) have been described as potential gene expression inhibitors and carriers of boron for boron neutron capture therapy (BNCT), providing a dual-action therapeutic platform. In this study...

In the course of the study, nanocrystalline cobalt monoboride was prepared by thermal decomposition of precursors [Co(DMF)₆][An], where [An] = [B₁₂H₁₂]²⁻ (1), [trans-B₂₀H₁₈]²⁻ (2) or [B₁₀Cl₁₀]²⁻ (3) in an argon atmosphere. Three new...

We report on the fabrication of fractal dendrites using laser-induced melting of aluminum alloys. We target boron carbide (B${}_4$C), which is one of the most effective radiation-absorbing materials characterized by a low coefficient of thermal expansion....

A theoretical modelling of the interaction process between a protonated complex of carboxonium derivative [2,6-B₁₀H₈O₂CCH₃*H^fac]⁰ and acetonitrile molecule CH₃CN was carried out. As a result of the process, a trisubstituted [B₁₀H₇O₂CCH₃(NCCH₃)]⁰ deri...

The utilization of dodecaborate boron clusters, [B₁₂X₁₂]²⁻ (X = Cl, Br, or I), as membrane carriers has been demonstrated recently, and their activity is known to be due to their superchaotropic nature. In this work, the mono-alkylation of [B₁₂...

One of the driving forces of carcinogenesis in humans is the aberrant activation of receptors; consequently, one of the most promising mechanisms for cancer treatment is receptor inhibition by chemotherapy. Although a variety of cancers are initially...

The aromaticity of small boron clusters remains under scrutiny due to persistent inconsistencies between magnetic and electronic descriptors. Here, we reexamine B₃⁻, B₃⁺, B₄, B₄²⁺, and B₄²⁻ using a multidimensional approach that integrate...

A new synthetic method for the synthesis of C-substituted [RC(O)CH₂-CB₁₁H₁₁]⁻ carborate anions has been developed. The reaction of [closo-B₁₁H₁₁]²⁻ with terminal alkynes in the presence of a copper catalyst leads to insertion into the bor...

Owing to the similar valence electron structures between the B-N bond and the C-C bond, boron nitride, similar to carbon, can form abundant polymorphs with different frameworks, which possess rich mechanical and electronic properties. Using the hollo...

A series of complexation reactions of silver(I) and copper(I) in the presence of a polyhedral weakly coordinating [B₁₀Cl₁₀]²⁻ anion has been carried out. The effect of the solvent and the presence of Ph₃P on the composition and structure of the...

New derivatives of the closo-decaborate anion [B₁₀H₉–O(CH₂)₂O(CH₂)₃C(O)–L–OCH₃]²⁻ (An) (1: L = Trp; 2: L = His; 3: L = Met; 4: L = Ala(2-oxopyrrolidin-3-yl) (Pld) were synthesized and isolated as tetraphenylphosphonium salts (...

Boron-containing compounds, known for their high calorific value, can significantly enhance the energy density of traditional liquid propellants. Through precise chemical modification of the C-H bonds in ortho-carborane, a novel liquid cluster materi...

We studied the boron-based composite cluster B₈Al₃⁺ doped with Al atoms. The global minimum structure of the B₈Al₃⁺ cluster is a three-layer structure, consisting of three parts: an Al₂ unit, a B₈ ring and an isolated Al atom. Charge calculations ana...

This review systematizes data on the coordination ability of mono- and disubstituted derivatives of boron cluster anions and carboranes in complexation with transition metals. Boron clusters anions [B_nH_n]^2–, monocarborane anions [CB_nH_n–1]...

A series of novel conjugates of cobalt bis(dicarbollide) and closo-dodecaborate with curcumin were synthesized by copper(I)-catalyzed azide-alkyne cycloaddition. These conjugates were tested for antibacterial activity. It was shown that all derivativ...

Boron compounds now have many applications in a number of fields, including Medicinal Chemistry. Although the uses of boron compounds in pharmacological science have been recognized several decades ago, surprisingly few are found in pharmaceutical dr...

For bulk three-dimensional materials, it is common for the surface to melt at a slightly lower temperature than the bulk. This is known as surface melting, and is typically due to the fact that there are fewer bonds to surface atoms. However, for sma...

Boron neutron capture therapy (BNCT) is a binary radiotherapeutic approach to the treatment of malignant tumors, especially glioblastoma, the most frequent and incurable brain tumor. For successful BNCT, a boron-containing therapeutic agent should pr...