High-nitrogen-content energetic BN ( = 4-16) clusters.

Nitrogen-rich materials have attracted considerable attention in recent years as potential high-energy-density materials (HEDMs). However, their metastability poses substantial challenges for synthesis under ambient conditions. Here, we employ a novel strategy to explore energetic and structural features of the nitrogen-rich BN ( = 4-16) clusters by doping with the light non-metal boron.

Planar Tetracoordinate Silicon in SiCu Cluster.

Photoelectron spectroscopy and theoretical calculations have identified the global minimum structure of the 16-valence electron SiCu cluster, which features a planar tetracoordinate silicon (ptSi) in a rhombic arrangement. The Si and Cu triangles are interconnected by a Si/Cu edge, forming an ordered chain-like structure. Besides the conventional 2c-2e σ-bond connecting Si and Cu, the stability of this cluster is reinforced by a delocalized 3c-2e σ-bond in Cu and a π-bond in Si.

Photoelectron Spectroscopy and Theoretical Studies on the Structures and Properties of GeC and GeCH Clusters.

We investigate the structures and properties of GeC and GeCH clusters using anion photoelectron spectroscopy and theoretical calculations. Our calculations show that the first two low-lying isomers coexist in the experiments of GeC and GeCH. The first two low-lying isomers of GeC have trigonal bipyramidal structures with the C atom on the equatorial plane and the top vertex, respectively.

Observation of halogen-like behavior of gold in fluorinated bimetallic CoAuF1-2- and CuAuF1-2- clusters: Anion photoelectron spectroscopy and density functional theory.

Using size-selected anion photoelectron spectroscopy and density functional theory, we investigated the structures and properties of fluorinated bimetallic clusters CoAuF1-2- and CuAuF1-2- and their neutrals. Both experimental and theoretical results show that in these cluster anions, Au behaves like a halogen atom. For example, the measured vertical detachment energies (VDEs) of CoAuF- (2.

Pentacoordinated pyramidal structures and bonding properties of WN: anion photoelectron spectroscopy and theoretical calculations.

Anion photoelectron spectroscopy and theoretical calculations were used to investigate the structural and bonding properties of WN. The electron affinity of WN is measured to be 1.582 ± 0.

Hexagonal Bipyramidal MnGe Cluster and Its One-Dimensional Ferrimagnetic Sandwich Nanowire: MnGe Rings as Structural Motifs.

Bipyramidal structures featuring planar rings serve as potential building blocks for one-dimensional (1D) nanostructures. Pure Ge atoms typically prefer to form three-dimensional rather than planar structures. Although a few-metal-doped bipyramids with pure Ge planar rings are predicted for constructing Ge-based 1D nanostructures, there is limited knowledge about those with both Ge and doped atoms on the same planar rings.

Exploring as a promising natural source of steroids with potent anti-cancer, urease inhibition, and antimicrobial properties.

The genus is a rich source of physiologically active secondary metabolites, including a novel compound named 21-methylene-24-ethylidene lophenol, alongside 15 known compounds. These compounds were characterized using different spectroscopic techniques. They exhibited promising antimicrobial activity, particularly against bacteria causing gastrointestinal infections.

Evolution of intrinsic defects and ring structures on the surface of fused silica optics after CO laser conditioning.

Recently and interestingly, experiments show that the CO laser conditioning can significantly increase the laser-induced damage threshold (LIDT) of fused silica optics, but its underlying mechanism has not been clearly revealed. This Letter reports the experimental studies on the evolution of the intrinsic point defects and intrinsic ring structures on the surface of fused silica optics under the CO laser irradiation. The laser conditioning can effectively reduce the intrinsic defect contents in the surface layer of mechanically processed fused silica.

Anion Photoelectron Spectroscopy and Theoretical Studies of GeO ( = 1-3) Clusters with the Symmetric Ge Structural Unit.

We investigate GeO ( = 1-3) clusters using anion photoelectron spectroscopy and theoretical calculations. The results show that the lowest energy structure of GeO is a bent symmetric trigonal bipyramidal structure, while GeO has a symmetric trigonal bipyramidal structure. GeO has two coexisting low-lying isomers, the first one can be viewed as a GeO unit interacting with a Ge trigonal bipyramid, the second one can be regarded as an O atom interacting with a Ge pentagonal bipyramid; whereas GeO has a symmetric structure with a Ge atom and an O atom capping a Ge trigonal antiprism from the bottom and top, respectively.

Structures and Properties of Planar GeO Cluster and Its Buckled Honeycomb Two-Dimensional Nanostructure.

The discovery of graphene and its excellent properties inspired the search for more two-dimensional (2D) materials. Understanding the structures and properties of the smallest repeating units as well as crystal 2D materials is helpful for designing 2D materials. As germanium tends to form three-dimensional structures, the preparation of germanium-based 2D nanomaterials is still a challenge.

Structural Evolution and Electronic Properties of VSi ( = 7-14) Clusters: Anion Photoelectron Spectroscopy and Theoretical Calculations.

A systematic study of the structures and electronic properties of V-doped silicon clusters, VSi ( = 7-14), was carried out by anion photoelectron spectroscopic experiments combined with theoretical calculations. According to the experimental spectra of VSi ( = 7-14) clusters, the VSi cluster has the highest vertical detachment energy (VDE) of 3.66 eV, while VSi and VSi clusters have lower VDEs of 2.

Solvation of magnesium chloride dimer in water: The case of anionic and neutral clusters.

The structures of magnesium chloride dimer-water clusters, (MgCl2)2(H2O)n-/0, were investigated with size-selected anion photoelectron spectroscopy and theoretical calculations to understand the dissolution of magnesium chloride in water. The most stable structures were confirmed by comparing vertical detachment energies (VDEs) with the experimental measurements. A dramatic drop of VDE at n = 3 has been observed in the experiment, which is in accordance with the structural change of (MgCl2)2(H2O)n-.

Structures and bonding properties of lithium polysulfide clusters LiS ( = 3-5) and LiS: size-selected anion photoelectron spectroscopy and theoretical calculations.

The structures and bonding properties of several lithium polysulfide clusters LiS ( = 3-5) and LiS were investigated by size-selected anion photoelectron spectroscopy coupled with quantum chemistry calculations. The vertical detachment energies of LiS, LiS, and LiS were estimated to be 2.17 ± 0.

Identification of Ge≡O Triple Bond in GeO Cluster: Anion Photoelectron Spectroscopy and Theoretical Calculations.

Unlike C≡O, which is common in coordination chemistry and organometallic chemistry, little is known about Si≡O or Ge≡O compounds. Here we report a GeO cluster featuring a Ge≡O triple bond. The structural and chemical bonding properties of GeO are investigated using anion photoelectron spectroscopy and theoretical calculations.

Anion photoelectron spectroscopy and quantum chemical calculations of bimetallic niobium-aluminum clusters NbAl ( = 3-12): identification of a half-encapsulated symmetric structure for NbAl.

Bimetallic niobium-doped aluminum clusters, NbAl ( = 3-12), are investigated through a synergetic combination of size-selected anion photoelectron spectroscopy and theoretical calculations. It is found that the dominant structures of NbAl anions with = 3-8 can be described by gradually adding Al atoms to the NbAl core. Starting from = 9, the lowest-energy geometric structures of NbAl transform into bilayer structures.

The additional nitrogen atom breaks the uranyl structure: a combined photoelectron spectroscopy and theoretical study of NUO.

We report a joint photoelectron spectroscopic and relativistic quantum chemistry study on gaseous NUO. The electron affinity (EA) of the neutral NUO molecule is reported for the first time with a value of 2.602(28) eV.

Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.

SARS-CoV-2 Omicron subvariants have demonstrated extensive evasion from monoclonal antibodies (mAbs) developed for clinical use, which raises an urgent need to develop new broad-spectrum mAbs. Here, we report the isolation and analysis of two anti-RBD neutralizing antibodies BA7208 and BA7125 from mice engineered to produce human antibodies. While BA7125 showed broadly neutralizing activity against all variants except the Omicron sublineages, BA7208 was potently neutralizing against all tested SARS-CoV-2 variants (including Omicron BA.

The Design and Testing of a PEA Powered Ankle Prosthesis Driven by EHA.

Several studies have shown that actuation concepts such as Serial elastic actuator (SEA) can reduce peak power and energy consumption in ankle prostheses. Proper selection and design of the actuation concepts is important to unlock the power source potential. In this work, the optimization design, mechanical design, control scheme, and bench experiments of a new powered ankle-foot prosthesis is proposed.

Photoelectron Spectroscopy and Theoretical Studies of GeMnO Cluster with a Mn≡O Unit Interacting with a Double Aromatic Ge Ligand.

The structures and chemical bonding of GeMnO are investigated using anion photoelectron spectroscopy and theoretical calculations. The lowest energy structure of GeMnO is found to have a C symmetric structure with an O atom attached to a pentagonal bipyramidal MnGe. Chemical bonding analyses reveal that GeMnO can be considered as a [Mn≡O][Ge] complex with two unpaired 3d electrons on Mn.

Anion Photoelectron Spectroscopy and Quantum Chemical Calculations of Bimetallic Oxide Clusters YCuO ( = 2-5).

The structural and electronic properties of bimetallic oxide clusters, YCuO and YCuO ( = 2-5), are investigated using anion photoelectron spectroscopy and density functional theory calculations. The experimental vertical detachment energies of YCuO, YCuO, YCuO, and YCuO were measured to be 1.59, 1.

Structural Evolution of Carbon-Doped Aluminum Clusters AlC ( = 6-15): Anion Photoelectron Spectroscopy and Theoretical Calculations.

Carbon-doped aluminum cluster anions, AlC ( = 6-15), were generated by laser vaporization and investigated by mass-selected anion photoelectron spectroscopy. The geometric structures of AlC ( = 6-15) anions were determined by the comparison of theoretical calculations with the experimental results. It is found that the most stable structure of AlC is a carbon endohedral triangular prism.