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1.
Inorg Chem ; 63(24): 11252-11257, 2024 Jun 17.
Article in English | MEDLINE | ID: mdl-38820055

ABSTRACT

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. Here, we report a hexagonal bipyramidal Mn3Ge5 cluster containing a Mn3Ge3 six-membered ring with the potential to construct a 1D germanium-based nanostructure. We investigated the structures and properties of Mn3Ge5-/0 using anion photoelectron spectroscopy and theoretical calculations. Mn3Ge5- has a C3v symmetric distorted hexagonal bipyramidal structure, while Mn3Ge5 has a C2v symmetric hexagonal bipyramidal structure. Chemical bonding analyses show that Mn3Ge5- could be considered as a [Mn3]V[Ge5]6- complex. First-principles calculations indicate that Mn3Ge5 may be used to construct a 1D ferrimagnetic [Mn3Ge5]∞ nanostructure.

2.
RSC Adv ; 14(13): 9159-9168, 2024 Mar 14.
Article in English | MEDLINE | ID: mdl-38500625

ABSTRACT

The genus Cassia 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. Compound 1 showed strong anti-bacterial activity against H. pylori and S. aur with MIC values of 0.28 and 0.12 µg mL-1 respectively. The study investigated their impact on H. pylori, a contributor to ulcer development, by inhibiting the urease enzyme. Inhibiting urease can reduce H. pylori's pathogenic potential, evident from the fact that the compounds evaluated toward urease enzyme showed higher inhibitory activity (1.024 ± 0.43 6.678±0.11 µM) compared to standard thiourea (IC50 = 18.61 ± 0.11 µM). Molecular docking studies confirmed their inhibitory action, with compound 7 notably outperforming thiourea in inhibiting urease (-6.95 kcal mol-1vs. -3.13 kcal mol-1). Additionally, these compounds showed positive effects on liver functioning, which H. pylori can impair. Compound 9 shows the best response against human HepG2 liver cancer cell lines i.e., % viability is 14.47% ± 0.69 and IC50 is 7.8 µM ± 0.21. These compounds hold potential as lead compounds for addressing gastrointestinal and liver disorders caused by H. pylori.

3.
Opt Lett ; 48(21): 5727-5730, 2023 Nov 01.
Article in English | MEDLINE | ID: mdl-37910744

ABSTRACT

Recently and interestingly, experiments show that the CO2 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 CO2 laser irradiation. The laser conditioning can effectively reduce the intrinsic defect contents in the surface layer of mechanically processed fused silica. However, the suppression effect of defects can be affected by the initial surface state. If there are micro-cracks on the component surface, the effect of the laser conditioning would be limited. The evolution of the intrinsic ring structures indicate that most of the intrinsic defects tend to recombine as short (Si-O)n ring structures during the laser healing of the micro-fractures. The observed recombination behavior and suppression of the intrinsic defects can help find out the reason for the increase of the LIDT of the fused silica optics.

4.
Inorg Chem ; 62(37): 15164-15172, 2023 Sep 18.
Article in English | MEDLINE | ID: mdl-37672772

ABSTRACT

We investigate Ge3n+1O-/0 (n = 1-3) clusters using anion photoelectron spectroscopy and theoretical calculations. The results show that the lowest energy structure of Ge4O- is a bent Cs symmetric trigonal bipyramidal structure, while Ge4O has a C3v symmetric trigonal bipyramidal structure. Ge7O- has two coexisting low-lying isomers, the first one can be viewed as a Ge2O unit interacting with a Ge5 trigonal bipyramid, the second one can be regarded as an O atom interacting with a Ge7 pentagonal bipyramid; whereas Ge7O has a C3v symmetric structure with a Ge atom and an O atom capping a Ge6 trigonal antiprism from the bottom and top, respectively. The structures of Ge10O- and Ge10O can be obtained by adding an O atom to different binding sites of a C3v symmetric Ge10. Chemical bonding analyses of Ge3n+1O (n = 1-3) reveal that the O atom interacts with its neighboring three Ge atoms forming one 4c-2e σ bond and two 4c-2e π bonds in the top Ge3O trigonal pyramid, while the terminal Ge atom forms one 4c-2e σ bond in the bottom Ge4 trigonal pyramid. The large HOMO-LUMO gaps of Ge3n+1O (n = 1-3) indicate that they have good stabilities. Ab initio molecular dynamics simulations suggest that both Ge7O and Ge10O are dynamically stable in general at 300 and 500 K. The current work suggests that the C3v symmetric Ge3 units and the insertion growth pattern may be viable for constructing 1D germanium oxide nanostructures with the chemical formula of Ge3n+1O.

5.
Inorg Chem ; 62(36): 14727-14738, 2023 Sep 11.
Article in English | MEDLINE | ID: mdl-37646377

ABSTRACT

A systematic study of the structures and electronic properties of V2-doped silicon clusters, V2Sin-/0 (n = 7-14), was carried out by anion photoelectron spectroscopic experiments combined with theoretical calculations. According to the experimental spectra of V2Sin- (n = 7-14) clusters, the V2Si12- cluster has the highest vertical detachment energy (VDE) of 3.66 eV, while V2Si7- and V2Si14- clusters have lower VDEs of 2.81 and 2.84 eV, respectively. The most stable structure searches find that two V atoms in the V2Sin- clusters with size n = 7 and 8 are located at the surface, while V2Sin- clusters with n ≥ 9 prefer cage-like structures. Based on the analysis of the structural evolution of V2Sin- (n = 9-14) clusters, it can be clearly seen how the antihexagonal prism with one V encapsulated in the cage is gradually built from n = 9 to 12 and further developed from n = 12 to 14 with the extra silicon atoms located at the surface of the Si12 cage. The molecular orbital and the atoms in molecule analysis of the V2Sin- (n = 7-14) anions demonstrate that the strong V-V bond and the delocalized interaction between the V2 moiety and the Sin ligand play a significant role in stabilizing the cluster structures. A strong linear correlation has been found between the Wiberg bond order of the V-V bond and the electron density at the V-V bond critical points.

6.
Nano Lett ; 23(17): 8378-8384, 2023 Sep 13.
Article in English | MEDLINE | ID: mdl-37651712

ABSTRACT

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. Herein, we report a Ge3O3 cluster with the potential to construct a germanium oxide 2D nanostructure. We conduct a combined anion photoelectron spectroscopy and theoretical study on Ge3O3-/0. The structure of Ge3O3- is a Cs symmetric nonplanar six-membered ring, while that of Ge3O3 is a D3h symmetric planar six-membered ring. Chemical bonding analyses reveal that Ge3O3 exhibits π aromaticity. First-principle results suggest that a buckled honeycomb 2D nanostructure with a wide band gap of 3.14 eV may be produced based on Ge3O3, which is promising in optoelectronic applications especially in blue, violet, and ultraviolet regions.

7.
Chemistry ; 29(57): e202301338, 2023 Oct 13.
Article in English | MEDLINE | ID: mdl-37498677

ABSTRACT

The study of C2 Al4 -/0 and C2 Al5 -/0 was conducted using anion photoelectron spectroscopy and quantum chemical computations. The present findings reveal that C2 Al4 - has a boat-like structure, with a single C2 unit surrounded by four aluminum atoms. In contrast, the neutral C2 Al4 species adopts a D2h planar structure with two planar tetracoordinate carbon (ptC) units, consistent with previous reports. Furthermore, the global minimum isomer of C2 Al5 - adopts a D3h symmetry, where the C2 unit interacts with five aluminum atoms. It was also found that a lower symmetry structure of C2 Al5 - , where all five aluminum atoms are located on the same side of the C2 unit, albeit slightly higher in energy compared to the D3h structure. These computations show that the D3h structure of C2 Al5 - is highly stable, exhibiting a large HOMO-LUMO gap.

8.
J Chem Phys ; 158(17)2023 May 07.
Article in English | MEDLINE | ID: mdl-37140000

ABSTRACT

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-. Compared to the neutral clusters, the excess electron induces two significant phenomena in (MgCl2)2(H2O)n-. First, the planar D2h geometry can be converted into a C3v structure at n = 0, making the Mg-Cl bonds easier to be broken by water molecules. More importantly, a negative charge-transfer-to-solvent process occurs after adding three water molecules (i.e., at n = 3), which leads to an obvious deviation in the evolution of the clusters. Such electron transfer behavior was noticed at n = 1 in monomer MgCl2(H2O)n-, indicating that the dimerization between two MgCl2 molecules can make the cluster more capable of binding electron. In neutral (MgCl2)2(H2O)n, this dimerization provides more sites for the added water molecules, which can stabilize the entire cluster and maintain its initial structure. Specifically, filling the coordination number to be 6 for Mg atoms can be seen as a link between structural preferences in the dissolution of the monomers, dimers, and extended bulk-state of MgCl2. This work represents an important step forward into fully understanding the solvation of MgCl2 crystals and other multivalent salt oligomers.

9.
Phys Chem Chem Phys ; 25(15): 10495-10503, 2023 Apr 12.
Article in English | MEDLINE | ID: mdl-36987631

ABSTRACT

The structures and bonding properties of several lithium polysulfide clusters LiSn-/0 (n = 3-5) and Li2S4-/0 were investigated by size-selected anion photoelectron spectroscopy coupled with quantum chemistry calculations. The vertical detachment energies of LiS3-, LiS4-, and LiS5- were estimated to be 2.17 ± 0.08, 3.30 ± 0.08 and 3.66 ± 0.08 eV, respectively, and that of Li2S4- was estimated to be 3.21 ± 0.08 eV. It is found that LiS3- and LiS3 have planar quadrilateral structures, and LiS4- and LiS4 have distorted five-membered ring structures. LiS5- has a distorted six-membered ring structure while neutral LiS5 has a book-shaped structure. The lowest-lying structure of Li2S4- can be viewed as a S2 unit connecting to the Li-Li edge of a Li2S2 tetrahedron. The lowest-lying structure of neutral Li2S4 can be viewed as a S2 unit connecting to the S atoms of a Li2S2 quadrilateral. The natural population analysis (NPA) and electron localization function (ELF) analyses show that the excess electron of LiSn- is mainly localized over the sulfur chains, especially on the S atoms interacting with Li, thus, the most stable structures of LiSn- can be regarded as a Li+ cation interacting with a Sn2- dianion. The results may be useful for understanding the formation of lithium polysulfides in lithium sulfur batteries.

10.
J Phys Chem Lett ; 14(11): 2854-2861, 2023 Mar 23.
Article in English | MEDLINE | ID: mdl-36917175

ABSTRACT

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 Ge6O- cluster featuring a Ge≡O triple bond. The structural and chemical bonding properties of Ge6O-/0 are investigated using anion photoelectron spectroscopy and theoretical calculations. Two nearly degenerate isomers have been found for Ge6O-. The lowest-energy structure (6A) can be viewed as an O atom bonding with a tetragonal bipyramidal Ge6. The second one (6B) can be considered as an O atom interacting with a capped trigonal bipyramidal Ge6. Chemical bonding analyses reveal that Ge6O- (6A) can be viewed as a Ge≡O unit interacting with a σ antiaromatic C2v symmetric tetragonal pyramidal Ge53- moiety. Comparisons of the chemical bonding in Ge6O- (6A) with that in Ge5CO- and Ge5MnO- indicate the similar behavior of Ge≡O to C≡O and Mn≡O in its bonding to the Ge53- and Ge54- moieties.

11.
Phys Chem Chem Phys ; 25(8): 6498-6509, 2023 Feb 22.
Article in English | MEDLINE | ID: mdl-36786014

ABSTRACT

Bimetallic niobium-doped aluminum clusters, NbAln-/0 (n = 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 NbAln- anions with n = 3-8 can be described by gradually adding Al atoms to the NbAl3- core. Starting from n = 9, the lowest-energy geometric structures of NbAl9-12- transform into bilayer structures. In particular, NbAl12- has a C3v symmetric structure, which can be viewed as a NbAl6 regular hexagon over a bowl-shaped Al6 structure. More detailed analyses indicate that NbAl9 and NbAl12- possess unusual stability, which may be attributed to their closed-shell electron configurations with superatomic features.

12.
Cell Discov ; 9(1): 3, 2023 Jan 07.
Article in English | MEDLINE | ID: mdl-36609558

ABSTRACT

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.1-BA.5) except Mu. By combining BA7208 and BA7125 through the knobs-into-holes technology, we generated a biparatopic antibody BA7208/7125 that was able to neutralize all tested circulating SARS-CoV-2 variants. Cryo-electron microscopy structure of these broad-spectrum antibodies in complex with trimeric Delta and Omicron spike indicated that the contact residues are highly conserved and had minimal interactions with mutational residues in RBD of current variants. In addition, we showed that administration of BA7208/7125 via the intraperitoneal, intranasal, or aerosol inhalation route showed potent therapeutic efficacy against Omicron BA.1 and BA.2 in hACE2-transgenic and wild-type mice and, separately, effective prophylaxis. BA7208/7125 thus has the potential to be an effective candidate as an intervention against COVID-19.

13.
Phys Chem Chem Phys ; 25(6): 4794-4802, 2023 Feb 08.
Article in English | MEDLINE | ID: mdl-36692210

ABSTRACT

We report a joint photoelectron spectroscopic and relativistic quantum chemistry study on gaseous NUO2-. The electron affinity (EA) of the neutral NUO2 molecule is reported for the first time with a value of 2.602(28) eV. The U-O and U-N stretching vibrational modes for the ground state and the first excited state are observed for NUO2. The geometric and electronic structures of both the anions and the corresponding neutrals are investigated by relativistic quantum chemistry calculations to interpret the photoelectron spectra and to provide insights into the nature of the chemical bonding. Both the ground state of the anion and neutral are calculated to be planar structures with C2v symmetry. Unlike the "T"-shape structure of UO3 which has a quasi-linear O-U-O angle, both the ground-state geometries of the anion and neutral have O-U-O bond angles of around 90°. The significant contraction of the O-U-O bond angle indicates the strong interaction between the U and N atoms compared with the "additional" oxygen in UO3. The chemical bonding calculation indicates that multiple bonding of U(VI) can occur in NUO2- and NUO2, and the UVI-N bond is significantly more covalent than the U-O bond. The current experimental and theoretical results reveal the difference between the U-N and U-O bond in the unified molecular system, and expand our understanding of the bonding capacities of actinide elements with the nitrogen atom.

14.
Inorg Chem ; 62(5): 2033-2039, 2023 Feb 06.
Article in English | MEDLINE | ID: mdl-36693231

ABSTRACT

We present joint anion photoelectron spectroscopy and theoretical studies for Mn2Ge6- and Mn2Ge7-. Experimental results show that Mn2Ge6- and Mn2Ge7- have vertical electron detachment energies of 2.58 ± 0.08 and 2.88 ± 0.08 eV, respectively. Both Mn2Ge6- and Mn2Ge6 have Cs symmetric structures with a Mn atom attached to a pentagonal bipyramid MnGe6. Both Mn2Ge7- and Mn2Ge7 have C2v symmetric structures, which can be considered as two Mn2Ge4 tetragonal bipyramids sharing a MnGeMn face. According to chemical bonding analyses, Mn2Ge6 could be considered as a (MnII)(MnGe62-) complex. Theoretical calculations predict that the extension of Mn2Ge7 to Mn2nGe4n+3 may be able to produce a new type of Mn-doped germanium nanostructure.

15.
Turk Neurosurg ; 33(4): 541-547, 2023.
Article in English | MEDLINE | ID: mdl-34859838

ABSTRACT

AIM: To compare percutaneous endoscopic lumbar discectomy (PELD) and the microscopic tubular technique, and to evaluate the outcomes of surgery. MATERIAL AND METHODS: We collected information through retrospective analysis of patients with far-lateral lumbar disc herniation (FLLDH) from June 2015 to October 2018. Twenty-six patients underwent paraspinal muscle-splitting microscopicassisted discectomy (MD) and thirty patients underwent PELD surgery by the same surgical team. Data included the duration of the operation, duration of intraoperative radiation exposure, and average duration of hospitalization. Pre- and postoperative pain scores and neurological functions were recorded using the visual analog scale (VAS) score and Oswestry disability index (ODI). RESULTS: Fifty-six patients remained in the study over the 12-24 months period. The mean operating time was 65.83 ± 16.64 min in the PELD group, mean duration of radiation exposure was 154.98 ± 64.26 mGy, and average of hospitalization was 3.43 days. The mean operating time was 44.96 ± 16.87 min in the MD group, duration of radiation exposure was 42.12 ± 17.28 mGy, and duration of hospitalization was 4.12 days. There were two patients with postoperative transient dysesthesia and one underwent reoperation seven months after surgery in the PELD group. One patient had postoperative transient dysesthesia in the MD group. Except low back pain at three months (p > 0.05), all patients in both groups showed significant improvement in VAS and ODI scores compared with pre-operation and until final follow-up (p < 0.05). CONCLUSION: Both techniques are minimally invasive, effective, and safe for treating FLLDH in selected patients. Compared with the PELD technique, the MD procedure offers a wider field of vision during operation, shorter operation time, fewer postoperative complications, and shorter learning curve.


Subject(s)
Diskectomy, Percutaneous , Intervertebral Disc Displacement , Humans , Intervertebral Disc Displacement/surgery , Diskectomy, Percutaneous/methods , Retrospective Studies , Paraspinal Muscles/surgery , Paresthesia/surgery , Lumbar Vertebrae/surgery , Diskectomy/methods , Endoscopy/methods , Treatment Outcome
16.
Curr Med Imaging ; 19(2): 142-148, 2023.
Article in English | MEDLINE | ID: mdl-35021979

ABSTRACT

OBJECTIVES: The purpose of this study was to investigate the surgical efficacy and risk factors of cervical spondylotic myelopathy (CSM) patients with increased signal intensity (ISI) on T2-weighted magnetic resonance imaging (MRI-T2WI). METHODS: We compared the surgical outcomes of CSM patients with and without ISI. In addition, we compared the efficacy of anterior and posterior cervical decompression in CSM patients with ISI. We also analyzed the risk factors of MRI-T2WI ISI in CSM patients. RESULTS: The incidence of ISI among 153 CSM patients was 71.89 %. The JOA score and JOA remission rate were better in the ISI-free than in the ISI group. The postoperative JOA score and JOA remission rate were better in the posterior than the anterior approach surgery group. The disease duration and vertebral canal volume were found to be risk factors for ISI in CSM patients. CONCLUSION: Among patients with CSM, the prognosis is worse for those with ISI than those without ISI. Posterior cervical decompression surgery produces a better curative effect than anterior cervical decompression surgery in CSM patients with ISI. CSM patients with longer disease duration and small vertebral canal volume should undergo surgical treatment as early as possible.


Subject(s)
Spinal Cord Diseases , Spondylosis , Humans , Treatment Outcome , Retrospective Studies , Spondylosis/diagnostic imaging , Spondylosis/surgery , Spinal Cord Diseases/diagnostic imaging , Spinal Cord Diseases/surgery , Risk Factors , Magnetic Resonance Imaging/methods
17.
Global Spine J ; 13(8): 2396-2408, 2023 Oct.
Article in English | MEDLINE | ID: mdl-35400210

ABSTRACT

STUDY DESIGN: Basic Research. OBJECTIVE: Intervertebral disc degeneration (IVDD) is caused by the cartilage endplate (CEP). Cartilage endplate stem cell (CESC) is involved in the recovery of CEP degeneration. Tension load (TL) contributes a lot to the initiation and progression of IVDD. This study aims to investigate the regulatory mechanism of the Mitogen-activated protein kinases/Mammalian target of rapamycin (MAPK/mTOR) pathway during TL-induced CESC degeneration. METHODS: CESCs were isolated from New Zealand big-eared white female rabbits (6 months old). FX-4000T cell stress loading system was applied to establish a TL-induced degeneration model of CESCs. Western blotting was used to detect the level of mTOR pathway-related proteins and autophagy markers LC3-Ⅱ, Beclin-1, and p62 in degenerative CESCs. The expression of MAPK pathway-related proteins JNK and extracellular signal-regulated kinases (ERK) in degenerated CESCs was inhibited by cell transfection to explore whether JNK and ERK play a regulatory role in TL-induced autophagy in CESCs. RESULTS: In the CESC degeneration model, the mTOR pathway was activated. After inhibition of mTOR, the autophagy level of CESCs was increased, and the degeneration of CESCs was alleviated. The MAPK pathway was also activated in the CESC degeneration model. Inhibition of JNK expression may alleviate TL-induced CEP degeneration by inhibiting Raptor phosphorylation and activating autophagy. Inhibition of ERK expression may alleviate TL-induced CEP degeneration by inhibiting mTOR phosphorylation and activating autophagy. CONCLUSION: Inhibition of JNK and ERK in the MAPK signaling family alleviated TL-induced CESC degeneration by inhibiting the phosphorylation of Raptor and mTOR in the mTOR pathway.

18.
Inorg Chem ; 61(50): 20524-20530, 2022 Dec 19.
Article in English | MEDLINE | ID: mdl-36475633

ABSTRACT

The structures and chemical bonding of Ge6MnO- are investigated using anion photoelectron spectroscopy and theoretical calculations. The lowest energy structure of Ge6MnO- is found to have a C5v symmetric structure with an O atom attached to a pentagonal bipyramidal MnGe6. Chemical bonding analyses reveal that Ge6MnO- can be considered as a [MnV≡O]3+[Ge64-] complex with two unpaired 3d electrons on Mn. The Ge64- ligand is highly stable in Ge6MnO- and exhibits double aromaticity with 10 delocalized σ electrons and 6 delocalized π electrons. Our calculations show that the Ge64- ligand could also form [CrIV≡O]2+[Ge64-] in Na2Ge6CrO and [FeIV≡O]2+[Ge64-] in Na2Ge6FeO. The results suggest the possibility of designing and synthesizing a series of stable high-valent metal oxide anionic species with the composition [M≡O]n+[Ge64-] in the gas phase or in the salt-stabilized bulk solid materials.

19.
Biomimetics (Basel) ; 7(4)2022 Dec 12.
Article in English | MEDLINE | ID: mdl-36546934

ABSTRACT

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. The actuation concept of this prosthesis is parallel elastic actuator (PEA) composed of electro-hydrostatic actuator (EHA) as the power kernel and a unidirectional parallel spring as the auxiliary energy storage element. After the appropriate motor and transmission ratio was selected, a dynamic model of the PEA prosthesis was built to obtain the appropriate spring parameters driven by biological data. The design of the hydraulic and mechanical system and the controller were provided for the implementation of the designed system. Bench experiments were performed to verify the performance. The results showed that the designed prosthesis meets the biomechanical dynamics requirements. This result emphasizes the feasibility of the EHA as a power source and actuator and provides new ideas for the design of ankle-foot prostheses.

20.
J Phys Chem A ; 126(36): 6067-6079, 2022 Sep 15.
Article in English | MEDLINE | ID: mdl-36043908

ABSTRACT

The structural and electronic properties of bimetallic oxide clusters, YCu2On- and YCu2On (n = 2-5), are investigated using anion photoelectron spectroscopy and density functional theory calculations. The experimental vertical detachment energies of YCu2O2-, YCu2O3-, YCu2O4-, and YCu2O5- were measured to be 1.59, 1.76, 3.85, and 3.78 eV, respectively. Vibrationally resolved photoelectron spectra have been obtained for YCu2O2-, with a spacing of 726 ± 80 cm-1 assigned to the Y-O stretching vibrational mode. It is found that YCu2O2- and YCu2O2 have C2v symmetric planar five-membered ring structures. YCu2O3- and YCu2O3 have C2v symmetric planar six-membered ring structures. The most stable structure of YCu2O4- is a quasi-planar structure which can be viewed as one O atom interacting with the Y atom of the YCu2O3 six-membered ring, while the most stable structure of YCu2O4 is a planar seven-membered ring. YCu2O5- and YCu2O5 have nonplanar structures, which can be viewed as an O2 unit interacting with the Y atom of the YCu2O3 six-membered ring. In YCu2O3,4,5-/0, the Y-O and Cu-O bonds are dominant, while the Y-Cu and Cu-Cu interactions are weak.

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