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Journal articles on the topic 'Ti3 Clusters'

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Author: Grafiati

Published: 6 September 2023

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1

Hinz, Dirk J., Gerd Meyer, Thorsten Dedecke, and Werner Urland. "Na2Ti3Cl8: From Isolated Ti2+ Ions to[Ti3]6+ Clusters." Angewandte Chemie International Edition in English 34, no. 1 (January 16, 1995): 71–73. http://dx.doi.org/10.1002/anie.199500711.

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2

Gao, Mei-Yan, Xiao-Xue Liu, Wei-Hui Fang, Lei Zhang, and Jian Zhang. "Synthesis and structural characterization of a dumbbell-like phenylphosphonate-stabilized Ti7–oxide cluster." Acta Crystallographica Section C Structural Chemistry 74, no. 11 (October 16, 2018): 1248–51. http://dx.doi.org/10.1107/s2053229618010707.

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In recent years, crystalline polyoxotitanium clusters (PTCs) have attracted increasing attention as a new kind of promising crystalline material. In this work, a PTC stabilized by phenylphosphonate ligands, i.e. hexa-μ-isopropanolato-hexaisopropanolatodi-μ3-oxido-hexa-μ3-phenylphosphonato-heptatitanium tetrahydrate, [Ti7(μ3-O)2(O3P-Phen)6(OiPr)12]·4H2O [PTC-54; H2O3P-Phen is phenylphosphonic acid, C6H5PO(OH)2, and HOiPr is isopropanol, C3H7OH], was obtained successfully through a facile one-step solvothermal reaction. The dumbbell-like core structure of PTC-54 can be described as two trinuclear {Ti3(μ3-O)} building units combined together by six phenylphosphonate ligands and one additional Ti atom, giving rise to a Ti7 cluster. Adjacent molecules of PTC-54 are further connected through π–π interactions between the phenyl groups to form a supramolecular one-dimensional chain.

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3

Zhang, Yu Hui, Quan Ji, and Xi Hua Pei. "Surface Morphology and Structure Study of Titanium Dioxide Thin Films Deposited on PET Substrates." Advanced Materials Research 79-82 (August 2009): 883–86. http://dx.doi.org/10.4028/www.scientific.net/amr.79-82.883.

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Titanium dioxide (TiO2) thin films were deposited by rf magnetron sputtering, using a Ti target (purity 99.99%), on poly (ethylene terephthalate) (PET) substrate. Argon and oxygen were used as the working and reacting gas, respectively. The surface morphology was studied using scanning electron microscopy (SEM) and atomic force microscopy (AFM), and the film composition and structure by X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD). Uniform and compact TiO2 nanoparticles with diameter about 50 nm were deposited on PET substrates within 2 minutes. Many nano-sized particles aggregated and formed larger clusters after 5 minutes. The size of the clusters increased with increased sputtering time. The particles grew perpendicular to the substrate, and the surfaces of the films were smooth and undulate. The Ti2p peak was resolvable into the three valence species Ti4+, Ti3+ and Ti2+. The O/Ti ratio varied with the Ar: O2, ratio, the optimum value of which was in the range 4-8. The TiO2 films deposited on PET substrate were amorphous.

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4

HINZ, D. J., G. MEYER, T. DEDECKE, and W. URLAND. "ChemInform Abstract: Na2Ti3Cl8: From Isolated Ti2+ Ions to (Ti3)6+ Clusters." ChemInform 26, no. 14 (August 18, 2010): no. http://dx.doi.org/10.1002/chin.199514005.

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5

Gorokhovsky, Alexander, Natalia Morozova, Gleb Yurkov, Olga Grapenko, Alexander Kozinkin, Alexei Kozakov, Anatoliy Nikolskiy, Elena Tretyachenko, Andrey Semenov, and Vitaliy Solodilov. "Catalytic Decomposition of H2O2 in the Aqueous Dispersions of the Potassium Polytitanates Produced in Different Conditions of Molten Salt Synthesis." Molecules 28, no. 13 (June 23, 2023): 4945. http://dx.doi.org/10.3390/molecules28134945.

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It is shown that the potassium polytitanate powder (PPT) synthesized at 500 °C via the treatment of powdered TiO2 (rutile) in molten mixtures of KOH and KNO3 is a cheap and effective catalyst of H2O2 chemical decomposition in aqueous solutions. At the same time, the PPT catalytic activity strongly depends on the [TiO2]:[KOH]:[KNO3] weight ratio in the mixture used for the synthesis, increasing with [KNO3] in the order of PPT (30:30:40) < PPT (30:50:20) < PPT (30:70:0). The obtained results are explained by increased [Ti3+] in the PPT structure (XPS data), which is grown in this order from 0 to 4.0 and 21.9 at.%, respectively, due to the reduced oxidation activity of the melt used for PPT synthesis. The mechanism of the autocatalytic process taking place in the PPT-H2O2-H2O system is analyzed. Taking into account the data of FT-IR spectroscopy, it is assumed that the increased catalytic activity of the investigated materials is related to the increased surface concentration of the Ti4+-O(H)-Ti4+ groups, formed from the Ti3+-O(H3O+)-Ti4+ clusters and further transformed into Ti-O-O-H catalytic centers. Some possible applications of the PPT-H2O2-H2O catalytic system, including the oxidation processes of green chemistry and photo-catalysis, are discussed.

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6

Guo, Yu Chen, Hui Qing Fan, and Jing Shi. "Effect of Nb and Mn Substitution on Bi_0.5Na_0.5TiO₃Lead-Free Piezoceramics with Enhanced Electrical Properties." Applied Mechanics and Materials 863 (February 2017): 8–14. http://dx.doi.org/10.4028/www.scientific.net/amm.863.8.

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The perovskite oxide Bi0.5Na0.5MnxTi1-xO3, Bi0.5Na0.5NbxTi1-xO3, Bi0.5Na0.5 (Mn0.5Nb0.5)xTi1-xO3 and Bi0.5Na0.5TiO3 ceramics (x=0.25%) were prepared via the conventional solid state reaction method. The role of Mn as an acceptor, Nb as a donor and (Mn0.5Nb0.5) substitution at B site in BNT lead-free piezoceramics was investigated. The (Mn0.5Nb0.5) substitution led to the inhibited of reduction of Ti4+ to Ti3+ and gave rise to large defect-dipole clusters containing highly localized electrons which should be responsible for the increase of Tc and Td. The ferroelectric properties and field-induced strains were both improved by Mn-acceptor and (Mn0.5Nb0.5) co-doped. The fatigue-resistant properties of Nb doped BNT ceramics were comparable to BNT ceramics, Mn doped ceramics were found to have significantly improved fatigue-resistant properties, while almost no profound fatigue was observed in BNT-MnNb ceramics after switching over 106 cycles at room temperature.

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7

Sun, Qingbo, Shaoyang Zhang, David Cortie, Julien Langley, Nicholas Cox, Terry J. Frankcombe, Jie Gao, et al. "Highly Efficient Visible Light Catalysts Driven by Ti3+ -VO -2Ti4+ -N3− Defect Clusters." ChemNanoMat 5, no. 2 (November 19, 2018): 169–74. http://dx.doi.org/10.1002/cnma.201800400.

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8

Guskos, Nikos, Janusz Typek, Grzegorz Zolnierkiewicz, Aleksander Guskos, Pawel Berczynski, Diana Dolat, Sylwia Mozia, Konstantinos Aidinis, Konrad Kruk, and Antoni W. Morawski. "Temperature study of magnetic resonance spectra of co-modified (Co,N)-TiO2 nanocomposites." Materials Science-Poland 34, no. 2 (June 1, 2016): 242–50. http://dx.doi.org/10.1515/msp-2016-0042.

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AbstractThe (nCo,N)-TiO2 (n = 1, 5 and 10 wt.% of Co) nanocomposites were investigated by magnetic resonance spectroscopy in 4 K to 290 K range. Analyses of ferromagnetic/electron paramagnetic resonance (FMR/EPR) spectra in terms of four Callen lineshape components revealed the existence of two types of magnetic centers, one derived from metallic cobalt nanoparticles in superparamagnetic (SPM) phase and the other from cobalt clusters in the TiO2 lattice. Additionally, at low temperature the EPR spectrum arising from Ti3+ ions was also registered. Both relaxations of the Landau-Lifshitz type and the Bloch-Bloembergen type played an important role at high temperature in determining the linewidths and the latter relaxation was prevailing at low temperature. Analysis of the integrated intensity showed that the SPM signal is due to small size FM cobalt nanoparticles while the paramagnetic signal from Co clusters originates from those nanoparticles in which the concentration of magnetic polarons is below the percolation threshold.

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9

Salomatina, Evgeniia, Pavel Shelud’ko, Vsevolod Kuz’michev, and Larisa Smirnova. "Photocatalytic Decomposition of Azo Dyes and Phenols Using Polymer Composites Containing Nanostructured Poly(titanium Oxide) Doped with Gold or Silver Nanoparticles under Light Irradiation in a Wide Wavelength Range." Catalysts 13, no. 2 (February 16, 2023): 423. http://dx.doi.org/10.3390/catal13020423.

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The photocatalytic properties of poly(titanium oxide) (PTO) dispersed in optically transparent polymeric matrices of different natures under the action of both UV and visible light on aqueous solutions of azo dyes and phenols were investigated. PTO in materials forms clusters of mixed polymorphic modification—anatase and rutile—with an average size ~12 nm. With a one-electron transition Ti4+ + e− → Ti3+ accompanied by a reversible break of the Ti-O bond, the formation of electron-hole pairs and, consequently, active oxygen species occurs in PTO under UV irradiation. The PTO band gap in nanocomposites is 3.11–3.35 eV. Its doping with gold and silver nanoparticles with sizes from ~10 to ~30 nm reduces the PTO band gap by up to 2.11 eV, which leads to the operating wavelength range extension of the materials. It provides the enhancement of nanocomposites’ photocatalytic properties under UV irradiation and is the reason for their high activity under visible light action. It was found that azo dyes decompose by ~90% in this case. A phenol and para-nitrophenol conversion of 80–90% was proven at ~60 min upon their aqueous solutions’ visible-light irradiation at the nanocomposite concentration in a solution of 0.5 g/L.

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10

Mohrhusen, Lars, Maximilian Grebien, and Katharina Al-Shamery. "Electron Transfer in Oxide–Oxide Cocatalysts: Interaction of Tungsten Oxide Clusters with Ti3+ States in Rutile TiO2." Journal of Physical Chemistry C 124, no. 43 (October 19, 2020): 23661–73. http://dx.doi.org/10.1021/acs.jpcc.0c06591.

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11

Guskos, Niko, Janusz Typek, Aleksander Guskos, Grzegorz Zolnierkiewicz, Pawel Berczynski, Diana Dolat, Barbara Grzmil, and Antoni Morawski. "Magnetic resonance study of annealed and rinsed N-doped TiO2 nanoparticles." Open Chemistry 11, no. 12 (December 1, 2013): 1996–2004. http://dx.doi.org/10.2478/s11532-013-0340-2.

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AbstractNanoparticles of nitrogen-modified TiO2 (N-doped TiO2) calcined at 300°C and 350°C, have been prepared with and without water rinsing. Samples were characterized by x-ray diffractrometry (XRD) and optical spectroscopy. The electron paramagnetic resonance (EPR) spectra from centers involving oxygen vacancies were recorded for all samples. These could be attributed to paramagnetic surface centers of the hole type, for example to paramagnetic oxygen radicals O−, O2−etc. The concentration of these centers increased after water rising and it further increased for samples annealed at higher temperature. Additionally, for samples calcined at 300°C, and calcined at 350°C and rinsed, the EPR spectra evidenced the presence of magnetic clusters of Ti3+ ions. The photocatalytic activity of samples was studied towards phenol decomposition under unltraviolet-visible (UV-Vis) irradiation. It was found that, in comparison to the starting materials, the rinsed materials showed increased photocatalytic activity towards phenol oxidation. The light absorption (UV-Vis/DRS) as well as surface Fourier transform infrared/diffuse reflectance spectroscopy (FTIR/DR) studies confirmed a significantly enhanced light absorption and the presence of nitrogen groups on the photocatalysts surfaces, respectively. A significant increase of concentration of paramagnetic centers connected with oxygen vacancies after water rising has had an essential influence on increasing their photocatalytic activity.

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12

Hinz, Dirk J., Gerd Meyer, Thorsten Dedecke, and Werner Urland. "Na2Ti3Cl8: von isolierten Ti2+-Ionen zu [Ti3]6+-Clustern." Angewandte Chemie 107, no. 1 (January 5, 1995): 97–99. http://dx.doi.org/10.1002/ange.19951070122.

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13

Li, Ning, Jing-Jing Liu, Jia-Wei Sun, Bao-Xia Dong, Long-Zhang Dong, Su-Juan Yao, Zhifeng Xin, Shun-Li Li, and Ya-Qian Lan. "Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction." Green Chemistry 22, no. 16 (2020): 5325–32. http://dx.doi.org/10.1039/d0gc01497d.

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Self-assembly and CO₂ photoreduction performance of two thermodynamically reversibly converted polyoxo-titanium clusters (PTCs), Ti4-C8A and Ti7-C8A, which were modified by calix[8]arene organic “functional armor”.

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14

Wang, Jian-Fang, Wei-Hui Fang, Dong-Sheng Li, Lei Zhang, and Jian Zhang. "Cocrystal of {Ti4} and {Ti6} Clusters with Enhanced Photochemical Properties." Inorganic Chemistry 56, no. 5 (February 10, 2017): 2367–70. http://dx.doi.org/10.1021/acs.inorgchem.6b02913.

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15

Oomen, Priscilla, Marieke Begemann, Hannah de Muinck Keizer, and Iris Sommer. "T73. COGNITIVE CLUSTERING IN SCHIZOPHRENIA SPECTRUM DISORDER AND THE ASSOCIATION WITH BRAIN VOLUME." Schizophrenia Bulletin 46, Supplement_1 (April 2020): S259. http://dx.doi.org/10.1093/schbul/sbaa029.633.

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Abstract Background Cognitive impairment is a core feature of schizophrenia spectrum disorder (SSD), and appears in both mild and severe forms. As cognition is crucial for functioning in daily life, it is important to understand these impairments. Large heterogeneity exists within these cognitive impairments, and different cognitive profiles may be associated with dissimilar structural brain volumes. Such cognitive brain profiles may be relevant biomarkers for more homogeneous subclasses to be used for both prognosis and choice of optimal care. Methods The population consisted of 85 individuals with schizophrenia spectrum disorder (mean age 27 years, 64 males) and 40 healthy controls (mean age 24 years, 31 males). To identify cognitive clusters, hierarchical clustering analyses were conducted using performance on the Brief Assessment of Cognition in Schizophrenia (BACS) battery. The emerging cognitive clusters were compared in performance on the BACS, diagnosis and whole brain volume. Results Hierarchical clustering analyses revealed three cognitive profiles: cluster 1 “relatively intact” cluster 2 “mild-moderate impairment” and cluster 3 “severe impairment”. Cluster 1 comprised of 68% healthy controls vs 32% SSD patients, whereas clusters 3 comprised of 89% SSD patients vs 11% healthy controls. Cluster 2 was a rather mixed cluster with 25% healthy controls and 75% SSD patients. Whole brain volume shows a continuum towards smaller brain volume in the more impaired clusters with a significant difference shown in whole brain volume between cluster 1 and 3. Discussion These findings support the concept that cognitive heterogeneity among individuals with schizophrenia spectrum disorder can be reduced by using cognitive clustering methods. Furthermore, cognitive clusters are associated with brain volume sizes, indicating different underlying brain structure. Future research should focus on the predictive power of such clusters.

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16

LIN, JI-ZI, SHAO-YI WU, QIANG FU, and HUA-MING ZHANG. "STUDIES OF THE LOCAL STRUCTURE AND THE g FACTORS FOR THE ORTHORHOMBICTi3+CENTER IN YAP." Modern Physics Letters B 21, no. 12 (May 20, 2007): 737–43. http://dx.doi.org/10.1142/s0217984907013006.

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The local structure and the g factors for the orthorhombic Ti3+center in YAP are theoretically studied from the perturbation formulas of the g factors gx, gyand gzfor a 3d1ion in orthorhombic symmetry based on the cluster approach. The observed large anisotropy of the g factors may be attributed to the significant low-symmetrical (tetragonal and orthorhombic) distortion near the Al3+site occupied by the impurity Ti3+. The calculated g factors in this work show reasonable agreement with the experimental data.

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17

Wu, Xiao-Xuan, Wen-Ling Feng, Qing Zhou, and Wen-Chen Zheng. "Theoretical Explanation of the EPR Parameters of Tetragonal Ti3+ Centers in ZnSe and CdS0.75Se0.25 Semiconductors." Zeitschrift für Naturforschung A 61, no. 9 (September 1, 2006): 505–8. http://dx.doi.org/10.1515/zna-2006-0909.

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The electron paramagnetic resonance (EPR) parameters (g factors g||, g⊥ and hyperfine structureconstants A||, A⊥) of the tetragonal Ti3+ centers in ZnSe and CdS0.75Se0.25 semiconductors are calculated from high-order perturbation formulas based on the cluster approach. In these formulas, boththe contribution from the spin-orbit coupling parameters of the central 3dn ion and that of ligands areconsidered. The calculated results show reasonable agreement with the observed values. The defectstructures of the tetragonal Ti3+ centers in both semiconductors caused by the static Jahn-Teller effectare suggested

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18

Schubert, Ulrich, Maria Bendova, Matthias Czakler, Christian Maurer, and Claudia Visinescu. "The structural chemistry of titanium alkoxide derivatives with OH-substituted bidentate ligands." Monatshefte für Chemie - Chemical Monthly 151, no. 11 (November 2020): 1697–703. http://dx.doi.org/10.1007/s00706-020-02698-z.

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Abstract The organically modified titanium alkoxides Ti2(Oi-Pr)4(OOCCMe2O)2(i-PrOH)2 and Ti4(Oi-Pr)4(SA)6 were obtained from the reaction of Ti(Oi-Pr)4 with 2-hydroxy-isobutyric acid and salicyladoxime (SA-H2), respectively. Reaction of 1,3-dibenzoyl acetone (DBA-H) did not result in a substituted titanium alkoxide derivative, but instead in the oxo cluster Ti4O2(Oi-Pr)8(DBA)2 after allowing moisture to diffuse into the reaction mixture. The three titanium compounds show common structural features which are different to derivatives void of ligand OH groups. The latter play a decisive role in coordinating the ligands to the titanium centers. Graphic abstract

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19

Passadis, Stamatis S., Sofia Hadjithoma, Panagiota Siafarika, Angelos G. Kalampounias, Anastasios D. Keramidas, Haralampos N. Miras, and Themistoklis A. Kabanos. "Synthesis, Structural and Physicochemical Characterization of a Titanium(IV) Compound with the Hydroxamate Ligand N,2-Dihydroxybenzamide." Molecules 26, no. 18 (September 15, 2021): 5588. http://dx.doi.org/10.3390/molecules26185588.

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The siderophore organic ligand N,2-dihydroxybenzamide (H2dihybe) incorporates the hydroxamate group, in addition to the phenoxy group in the ortho-position and reveals a very rich coordination chemistry with potential applications in medicine, materials, and physical sciences. The reaction of H2dihybe with TiCl4 in methyl alcohol and KOH yielded the tetranuclear titanium oxo-cluster (TOC) [TiIV4(μ-O)2(HOCH3)4(μ-Hdihybe)4(Hdihybe)4]Cl4∙10H2O∙12CH3OH (1). The titanium compound was characterized by single-crystal X-ray structure analysis, ESI-MS, 13C, and 1H NMR spectroscopy, solid-state and solution UV–Vis, IR vibrational, and luminescence spectroscopies and molecular orbital calculations. The inorganic core Ti4(μ-O)2 of 1 constitutes a rare structural motif for discrete TiIV4 oxo-clusters. High-resolution ESI-MS studies of 1 in methyl alcohol revealed the presence of isotopic distribution patterns which can be attributed to the tetranuclear clusters containing the inorganic core {Ti4(μ-O)2}. Solid-state IR spectroscopy of 1 showed the presence of an intense band at ~800 cm−1 which is absent in the spectrum of the H2dihybe and was attributed to the high-energy ν(Ti2–μ-O) stretching mode. The ν(C=O) in 1 is red-shifted by ~10 cm−1, while the ν(N-O) is blue-shifted by ~20 cm−1 in comparison to H2dihybe. Density Functional Theory (DFT) calculations reveal that in the experimental and theoretically predicted IR absorbance spectra of the ligand and Ti-complex, the main bands observed in the experimental spectra are also present in the calculated spectra supporting the proposed structural model. 1H and 13C NMR solution (CD3OD) studies of 1 reveal that it retains its integrity in CD3OD. The observed NMR changes upon addition of base to a CD3OD solution of 1, are due to an acid–base equilibrium and not a change in the TiIV coordination environment while the decrease in the complex’s lability is due to the improved electron-donating properties which arise from the ligand deprotonation. Luminescence spectroscopic studies of 1 in solution reveal a dual narrow luminescence at different excitation wavelengths. The TOC 1 exhibits a band-gap of 1.98 eV which renders it a promising candidate for photocatalytic investigations.

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20

Ding, Qing-Rong, Gui-Lan Xu, Lei Zhang, and Jian Zhang. "Ligand-directed assembly engineering of trapezoidal {Ti5} building blocks stabilized by dimethylglyoxime." Dalton Transactions 48, no. 27 (2019): 9916–19. http://dx.doi.org/10.1039/c9dt02032b.

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A facile approach of ligand-directed assembly of trapezoidal {Ti₅} building blocks was successfully established, which gave rise to interesting hybrid clusters including the first molecular assembly of porphyrin photosensitizer and titanium-oxo cluster.

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21

Chachai, Namfon, Banthita Pensuriya, Techita Pinsuntiae, Phattra Pratubkong, Janya Mungngam, Pongsakorn Nitmee, Pongsak Kaewsri, et al. "Variability of Morphological and Agronomical Characteristics of Centella asiatica in Thailand." Trends in Sciences 18, no. 23 (November 12, 2021): 502. http://dx.doi.org/10.48048/tis.2021.502.

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The phenotypic variability of 30 accessions of Asiatic pennywort (Centella asiatica (L.) Urb.) were collected in different regions in Thailand were evaluated. The growth habit among accessions were identified into 2 types including with 20 accessions of erect from and 10 accessions of flatten from. The leaf arrangement divided into 2 types, including with rosette (20 accessions) and spreading leaf (10 accessions). The variability of morphological and agronomical characteristics experiment was derived by Complete Randomized Design (CRD) with 5 replications. The 11 morphological and agronomical character data were collected at 2 mounts after transplant. The phylogenetic tree manifesting the diversity among 30 accessions based on Euclidean distance coefficient identified by 11 morphological and agronomical characteristics. Analysis of variance revealed high and highly significant difference among accessions for all characteristics, shown a wide range of morphological and agronomical characteristics variability of the Asiatic pennywort germplasm. The phylogenetic tree was classified Asiatic pennywort accessions into 2 different clusters with the distance coefficient ranged from 1.00 - 25.00. The 1st cluster consisted of 8 accessions and the 2nd cluster consisted of 22 accessions. The 2nd cluster was divided into 2 sub- clusters, including with sub-cluster 2.1 consisted of 21 accessions and sub-cluster 2.2 consisted of 1 accession. Mean value of the 2nd cluster was higher than the 1st group all characters except SPAD Index. The result suggested that could be used accession members in the 2nd cluster can be used for future breeding program of Asiatic pennywort in Thailand. HIGHLIGHTS The morphology and actives ingredient components of Asiatic pennywort were depended on the genetic variability and geographical conditions The variability based on morphological and agronomic characteristics of Asiatic pennywort was useful for breeding perspective The Asiatic pennywort accessions in cluster 2 could be used for breeding program in the future GRAPHICAL ABSTRACT

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22

Connick, Mark J., Emma Beckman, Yves Vanlandewijck, Laurie A. Malone, Sven Blomqvist, and Sean M. Tweedy. "Cluster analysis of novel isometric strength measures produces a valid and evidence-based classification structure for wheelchair track racing." British Journal of Sports Medicine 52, no. 17 (November 25, 2017): 1123–29. http://dx.doi.org/10.1136/bjsports-2017-097558.

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BackgroundThe Para athletics wheelchair-racing classification system employs best practice to ensure that classes comprise athletes whose impairments cause a comparable degree of activity limitation. However, decision-making is largely subjective and scientific evidence which reduces this subjectivity is required.AimTo evaluate whether isometric strength tests were valid for the purposes of classifying wheelchair racers and whether cluster analysis of the strength measures produced a valid classification structure.MethodsThirty-two international level, male wheelchair racers from classes T51–54 completed six isometric strength tests evaluating elbow extensors, shoulder flexors, trunk flexors and forearm pronators and two wheelchair performance tests–Top-Speed (0–15 m) and Top-Speed (absolute). Strength tests significantly correlated with wheelchair performance were included in a cluster analysis and the validity of the resulting clusters was assessed.ResultsAll six strength tests correlated with performance (r=0.54–0.88). Cluster analysis yielded four clusters with reasonable overall structure (mean silhouette coefficient=0.58) and large intercluster strength differences. Six athletes (19%) were allocated to clusters that did not align with their current class. While the mean wheelchair racing performance of the resulting clusters was unequivocally hierarchical, the mean performance of current classes was not, with no difference between current classes T53 and T54.ConclusionsCluster analysis of isometric strength tests produced classes comprising athletes who experienced a similar degree of activity limitation. The strength tests reported can provide the basis for a new, more transparent, less subjective wheelchair racing classification system, pending replication of these findings in a larger, representative sample. This paper also provides guidance for development of evidence-based systems in other Para sports.

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23

Nägele, A., E. Anokhina, J. Sitar, H. J. Meyer, and A. Lachgar. "Synthesis and Crystal Structures of ATi[Nb6Cl18] Compounds (A = K, Rb, Cs, In, Tl)." Zeitschrift für Naturforschung B 55, no. 2 (February 1, 2000): 139–44. http://dx.doi.org/10.1515/znb-2000-0202.

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Abstract New quaternary niobium cluster chlorides corresponding to the general formula ATi[Nb6Cl18] (A = K, Rb, Cs, In, Tl) have been synthesized in sealed quartz tubes at 720 °C, starting from stoichiometric amounts of NbCl5, niobium metal, TiCl3, and ACl (A = K, Rb, Cs), or In or Tl metals. The structures of RbTi[Nb6Cl18] and CsTi[Nb6Cl18] were determined using single crystal X-ray diffraction. RbTi[Nb6Cl18] crystallizes in the rhombohedral crystal system, space group R3̄ (no. 148), Z = 3, with lattice parameters: a = 9.163(4), c = 25.014(14) Å (hexagonal setting). The structure refinement converged to R1 = 0.044 and wR2 = 0.058 for all data. In this structure, discrete [Nb6Cl18]4-cluster units are linked by Rb+ and Ti3+ cations, located in a 12-coordinated anticubeoctahedral and octahedral chloride coordination environment, respectively. In contrast, CsTi[Nb6Cl18] crystallizes in the trigonal crystal system, space group P3̄1c (no. 163), Z = 2. The lattice parameters were determined to be a = 9.1075(6), c = 17.0017(8) Å. The structure refinement gives the reliability factors R1 = 0.029 and wR2 = 0.063 for all data. The structure is built up of discrete octahedral [Nb6Cl18]4- cluster units, linked by Cs+ and Ti3+ cations which are located in a distorted hexagonal antiprismatic and octahedral chloride coordination environment, respectively. The structures of the compounds ATi[Nb6Cl18] (A = K, In, Tl) were found to be isotypic with RbTi[Nb6Cl18], and their unit cell parameters were refined using X-ray powder diffraction analysis.

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24

Nachaithong, Theeranuch, Pairot Moontragoon, and Prasit Thongbai. "Dielectric Responses of (Zn0.33Nb0.67)xTi1−xO2 Ceramics Prepared by Chemical Combustion Process: DFT and Experimental Approaches." Molecules 27, no. 18 (September 19, 2022): 6121. http://dx.doi.org/10.3390/molecules27186121.

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The (Zn, Nb)-codoped TiO2 (called ZNTO) nanopowder was successfully synthesized by a simple combustion process and then the ceramic from it was sintered with a highly dense microstructure. The doped atoms were consistently distributed, and the existence of oxygen vacancies was verified by a Raman spectrum. It was found that the ZNTO ceramic was a result of thermally activated giant dielectric relaxation, and the outer surface layer had a slight effect on the dielectric properties. The theoretical calculation by using the density functional theory (DFT) revealed that the Zn atoms are energy preferable to place close to the oxygen vacancy (Vo) position to create a triangle shape (called the ZnVoTi defect). This defect cluster was also opposite to the diamond shape (called the 2Nb2Ti defect). However, these two types of defects were not correlated together. Therefore, it theoretically confirms that the electron-pinned defect-dipoles (EPDD) cannot be created in the ZNTO structure. Instead, the giant dielectric property of the (Zn0.33Nb0.67)xTi1−xO2 ceramics could be caused by the interfacial polarization combined with electron hopping between the Zn2+/Zn3+ and Ti3+/Ti4+ ions, rather than due to the EPDD effect. Additionally, it was also proved that the surface barrier-layer capacitor (SBLC) had a slight influence on the giant dielectric properties of the ZNTO ceramics. The annealing process can cause improved dielectric properties, which are properties with a huge advantage to practical applications and devices.

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Krivovichev, Sergey V. "Polyoxometalate clusters in minerals: review and complexity analysis." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 76, no. 4 (July 14, 2020): 618–29. http://dx.doi.org/10.1107/s2052520620007131.

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Most research on polyoxometalates (POMs) has been devoted to synthetic compounds. However, recent mineralogical discoveries of POMs in mineral structures demonstrate their importance in geochemical systems. In total, 15 different types of POM nanoscale-size clusters in minerals are described herein, which occur in 42 different mineral species. The topological diversity of POM clusters in minerals is rather restricted compared to the multitude of moieties reported for synthetic compounds, but the lists of synthetic and natural POMs do not overlap completely. The metal–oxo clusters in the crystal structures of the vanarsite-group minerals ([As3+V4+ 2V5+ 10As5+ 6O51]7−), bouazzerite and whitecapsite ([M 3+ 3Fe7(AsO4)9O8–;n (OH) n ]), putnisite ([Cr3+ 8(OH)16(CO3)8]8−), and ewingite ([(UO2)24(CO3)30O4(OH)12(H2O)8]32−) contain metal–oxo clusters that have no close chemical or topological analogues in synthetic chemistry. The interesting feature of the POM cluster topologies in minerals is the presence of unusual coordination of metal atoms enforced by the topological restraints imposed upon the cluster geometry (the cubic coordination of Fe3+ and Ti4+ ions in arsmirandite and lehmannite, respectively, and the trigonal prismatic coordination of Fe3+ in bouazzerite and whitecapsite). Complexity analysis indicates that ewingite and morrisonite are the first and the second most structurally complex minerals known so far. The formation of nanoscale clusters can be viewed as one of the leading mechanisms of generating structural complexity in both minerals and synthetic inorganic crystalline compounds. The discovery of POM minerals is one of the specific landmarks of descriptive mineralogy and mineralogical crystallography of our time.

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Herren, Markus, and Hans U. Güdel. "Site-selective spectroscopy of Ti2+V2+, Ti2+V2+V2+, Ti2+Ti2+V2+ and Ti2+Ti2+ spin clusters in magnesium chloride." Journal of Luminescence 54, no. 4 (December 1992): 209–20. http://dx.doi.org/10.1016/0022-2313(92)90068-k.

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Mustafa, Marlina, Muhamad Syukur, Surjono Hadi Sutjahjo, and Sobir Sobir. "ESTIMATION OF GENETIC PARAMETERS, CORRELATION, AND GENETIC RELATIONSHIP OF TOMATOES GENOTYPE IN LOWLAND." Agrotech Journal 1, no. 1 (December 9, 2016): 19–25. http://dx.doi.org/10.31327/atj.v1i1.193.

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The cultivation of tomato in lowland experience many obstacles, such as low produvtivity. One effort to increase tomato productivity in lowland is through selection of tomato genotype for high yield and yield component in lowland. This study aims to determine the variability based on genetic information, heritability and correlation of characters as well as the yield components of tomato genotypes relationship patterns in the lowlands. A Randomized Complete Block Design was used to characterization base on best genotype of yield component character, genetic variability, broad sense heribility and correlation to yield. Genotype of tomato tested had diverse characteristics. Best genotypes based on the yield character is IPB T1, based on the number of fruit per plant is IPBT30, based on the fruit length and day to flowering is IPB T74, based on the fruit diameter is IPB T73 and fruit thickness is IPBT60. Wide genetic diversity has a high heritability. Number of fruit per plant, fruit length, fruit diameter, and fruit thickness has a wide genetic diversity and high heritability. Yield characters has a narrow genetic diversity and heritability is low. Characters that have a direct impact on the yield are the fruit diameter. Based on the cluster analysis, tomato genotypes are grouped into five groups. Group I consists of seven genotypes (IPBT1, IPBT58, IPBT60, IPBT64, IPBT78, IPBT80 and IPBT82), group II consists of one genotype (IPBT74), group III consists of three genotypes (IPB T13, IPB T73 and IPB T86), group IV consists of five genotypes (IPBT3, IPBT33, IPBT43, IPBT53, and IPBT3) which is characterized by fruit thickness, fruit length and days to flowering, and group V consists of one genotype (IPBT30).

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BARUS, TATI, RONALDO HALIM, ANASTASIA TATIK HARTANTI, and PAULUS KEVIN SAPUTRA. "Genetic diversity of Rhizopus microsporus from traditional inoculum of tempeh in Indonesia based on ITS sequences and RAPD marker." Biodiversitas Journal of Biological Diversity 20, no. 3 (March 3, 2019): 847–52. http://dx.doi.org/10.13057/biodiv/d200331.

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Abstract. Barus T, Halim R, Hartanti AT, Saputra PK. 2019. Genetic diversity of Rhizopus microsporus from traditional inoculum of tempeh in Indonesia based on ITS sequences and RAPD marker. Biodiversitas 20: 847-852. The main microorganism for tempeh fermentation is Rhizopus microsporus. These days, many tempeh producers use commercial inoculum, such as ‘Raprima’ as resource of R. microsporus. As a result, the genetic diversity of R. microsporus that had been reported in Indonesia has diminished. Information about genetic diversity is needed as a basis to select R. microsporus as tempeh inoculum. This research aims to investigate the genetic diversity of R. microsporus from waru leaves based on Internal Transcribed Spacer (ITS) Sequence and Random Amplified Polymorphic DNA (RAPD) markers. A total of 25 R. microsporus were isolated from traditional inoculum waru leaves (Inoculum 1) and traditional inoculum other than waru leaves (Inoculum 2). Amplification of ITS sequence was done using universal primer pairs of ITS-4 and ITS-5. Amplification of RAPD markers was done using primers OPC-08, OPC-19, OPQ-6, R-108, OPA-09 and OPJ-20. ITS sequence was not sufficient to compare the similarities among R. microsporus. On the other hand, RAPD markers successfully compared the similarities among 25 R. microsporus. A total of 25 R. microsporus were divided into 9 clusters. R. microsporus from Inoculum 1 grouped into Cluster 1, Cluster 3 and Cluster 4-8. Inoculum 2 grouped into Cluster 2 and Cluster 9. R. microsporus from tempeh grouped into Cluster 4 and was different from Inoculum 1 and Inoculum 2, except for TB3.

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Ding, Qing-Rong, Yinghua Yu, Changsheng Cao, Jian Zhang, and Lei Zhang. "Stepwise assembly and reversible structural transformation of ligated titanium coated bismuth-oxo cores: shell morphology engineering for enhanced chemical fixation of CO₂." Chemical Science 13, no. 12 (2022): 3395–401. http://dx.doi.org/10.1039/d1sc06847d.

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Core–shell Bi38O44/45@TixL-oxo clusters were prepared by the stepwise assembly from soluble Bi38O45@Ti6 precursors to show modifiable shell and reversible structure transformation, which further changed their chemical fixation activities of CO2.

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Herren, Markus, Stuart M. Jacobsen, Hans U. Güdel, and Bernard Briat. "Selective excitation of Ti2+Mn2+ and Mn2+Ti2+Mn2+ spin clusters in MgCl2." Journal of Chemical Physics 90, no. 2 (January 15, 1989): 663–71. http://dx.doi.org/10.1063/1.456145.

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31

Intayot, Ratchadaree, Chompoonut Rungnim, Supawadee Namuangruk, Nuttapon Yodsin, and Siriporn Jungsuttiwong. "Ti4-Decorated B/N-doped graphene as a high-capacity hydrogen storage material: a DFT study." Dalton Transactions 50, no. 33 (2021): 11398–411. http://dx.doi.org/10.1039/d1dt01498f.

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32

Salazar-Villanueva, M., P. H. Hernandez Tejeda, J. F. Rivas-Silva, and J. A. Ascencio. "Stability and Physicochemical Principles for Icosahedral Ti12X (X = Li to Xe) Clusters: A DFT Study." Journal of Nanoscience and Nanotechnology 8, no. 5 (May 1, 2008): 2475–78. http://dx.doi.org/10.1166/jnn.2008.18280.

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Results about stability, electronic structure and characteristic electronic properties are reported for cluster structures based on icosahedra structure with a composition of Ti12X (X = Li to Xe) within the generalized gradient approximation of the density functional theory. It is demonstrated that several elements allow an improvement on the stability of Ti13 by a doping process where the central atoms is substituted. C, Si, P, Co, Ge, Ru and Te lead to the largest gain in energy, while the HOMO-LUMO maximum gap distinguishes to just C, Si, P and Te as the most probable to be found in experimental samples. The analysis included physicochemical study of the most stable clusters to predict chemical affinity and new properties. Results reported here are in agreement with partial studies of Ti12X but because of the considered elements, a new scope is open of possible application mainly in the fields as sensors, catalysis and medicine, where the chemical selectivity is an important parameter.

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Wu, Meng, Jin-Cheng Zheng, and Hui-Qiong Wang. "Investigation of the multiplet structures and crystal field effects of a TiO6 3d 1 cluster based on configuration interaction calculations." Journal of Applied Crystallography 50, no. 2 (March 24, 2017): 576–84. http://dx.doi.org/10.1107/s160057671700334x.

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Configuration interaction cluster calculation can effectively reproduce the experimentally measured Ti L 23-edge absorption spectrum for the TiO6 cluster LaTiO3. A further investigation of the hybridization strength and charge-transfer energy effects on the multiplet structures suggests that LaTiO3 should be classified as an intermediate state between the charge-transfer and Mott–Hubbard regimes. Detailed temperature-dependent simulations of absorption spectra support the lifting of Ti t 2g orbital degeneracy and crystal field splitting. The spin–orbit coupling scenario is ruled out, even though 3d spin–orbit coupling can reproduce the experimental spectrum without including temperature. A combined polarization- and crystal-field-splitting-dependent analysis indicates asymmetric ΔCF–orbital interactions for the TiO6 cluster [Ti3+:3d 1(t 2g 1)], different from the orbital–lattice interactions reported for the NiO6 cluster [Ni3+:3d 7(t 2g 6 eg 1)]. The orbital polarization is defined in terms of the normalized electron occupancies in orbitals with xy and xz(yz) symmetries, and nearly complete orbital polarization (more than 75%) is observed, indicating strongly reduced orbital fluctuations due to the correlation effects. This is consistent with the density of states for titanates based on local density approximation plus dynamical mean-field theory calculations.

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Jacobsen, Stuart M., and Hans U. Güdel. "Spin cluster excitations in Ti2+ doped MnCl2." Journal of Luminescence 38, no. 1-6 (December 1987): 184–86. http://dx.doi.org/10.1016/0022-2313(87)90100-1.

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35

Yu, Xiaohu, Artem R. Oganov, Ivan A. Popov, Guangrui Qian, and Alexander I. Boldyrev. "Antiferromagnetic Stabilization in the Ti8 O12 Cluster." Angewandte Chemie International Edition 55, no. 5 (December 15, 2015): 1699–703. http://dx.doi.org/10.1002/anie.201508439.

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36

Yu, Xiaohu, Artem R. Oganov, Ivan A. Popov, Guangrui Qian, and Alexander I. Boldyrev. "Antiferromagnetic Stabilization in the Ti8 O12 Cluster." Angewandte Chemie 128, no. 5 (December 15, 2015): 1731–35. http://dx.doi.org/10.1002/ange.201508439.

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37

Reisizadeh, Amirhossein, Saurav Prakash, Ramtin Pedarsani, and Amir Salman Avestimehr. "Coded Computation Over Heterogeneous Clusters." IEEE Transactions on Information Theory 65, no. 7 (July 2019): 4227–42. http://dx.doi.org/10.1109/tit.2019.2904055.

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38

Czakler, Matthias, and Ulrich Schubert. "Carboxylate-substituted Ti(IV) oxo clusters with a Ti3O core." Inorganica Chimica Acta 471 (February 2018): 567–69. http://dx.doi.org/10.1016/j.ica.2017.11.055.

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39

Demidenko, V. S., N. L. Zaĭtsev, and T. V. Men’shchikova. "Modification of the equation of state upon structural transition from two-dimensional branching of Ti2 dimers to a three-dimensional Ti13 cluster." Physics of the Solid State 49, no. 11 (November 2007): 2210–15. http://dx.doi.org/10.1134/s1063783407110315.

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40

Sattler, Klaus. "Clusters of Atoms." Physica Scripta T13 (January 1, 1986): 93–99. http://dx.doi.org/10.1088/0031-8949/1986/t13/014.

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41

Nguyen, Thanh Giao, and Quang Minh Vo. "The Categorized of Surface Water Quality Variation using Multivariate Statistical Approaches: A Case Study of Ben Tre Province, Vietnam." Trends in Sciences 19, no. 8 (March 29, 2022): 3468. http://dx.doi.org/10.48048/tis.2022.3468.

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This study evaluated surface water quality changes in Ben Tre province using multivariate statistical analyses. The water monitoring data were collected from the Department of Natural Resources and Environment of Ben Tre province in 2020, which 13 water parameters have been measured, including pH, water temperature (T), salinity (Sal), turbidity (Turb), total suspended solids (TSS), dissolved oxygen (DO), biochemical oxygen demand (BOD), chemical oxygen demand (COD), ammonium (NH4+_N), nitrate (NO3-_N), orthophosphate (PO43-_P), iron (Fe) and coliform bacteria. Water quality was assessed using national technical regulations on surface water quality of QCVN 08-MT: 2015/BTNMT. Spatiotemporal variation of water quality was evaluated using cluster analysis (CA) while potential pollution sources and key water variables influencing water quality were evaluated using principal component analysis (PCA). The findings showed that the water parameters of turbidity, salinity, TSS, DO, BOD, COD, NH4+_N, PO43-_P, Fe and coliform exceeded the allowable limits of QCVN 08-MT:2015/BTNMT. The water parameters of BOD, COD, NO3-_N, PO43-_P in the rainy season tended to be higher than those in the dry season. Cluster analysis divided surface water quality into 7 clusters, thus reducing 8 sampling sites, and 2 monitoring times of frequency. Principal component analysis identified 13 potential pollution sources affecting surface water quality in the study area, in which, 76.10 % of the variation in surface water quality were contributed by PC1, PC2, PC3, PC4 and PC5. PCA results also showed that 13 observed water parameters significantly contribute to the variation in water quality. The current study results could be very useful in reducing sites and frequency of surface water quality monitoring in Ben Tre province. HIGHLIGHTS The water quality in the study area was polluted by suspended particulate matters, organics, nutrients, heavy metals and salinity. Thirteen potential water pollution sources have been identified by principal component ananlysis (PCA), in which, 76.1 % of surface water quality variations were explained by five key sources sources of PC1-PC5 The water quality parameters of BOD, COD, NO3-_N, PO43-_P in the rainy season tended to be higher than those in the dry season Cluster analysis (CA) suggested the current surface water monitoring sites and frequency of the sampling could be reduced by 8 and 2, respectively, thus, saving the monitoring cost GRAPHICAL ABSTRACT

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42

Miao, Meng, Hui Shi, Qi Wang, and Yingchun Liu. "The Ti4 cluster activates water dissociation on defective graphene." Physical Chemistry Chemical Physics 16, no. 12 (2014): 5634. http://dx.doi.org/10.1039/c3cp55503h.

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43

Ladner, LeAnn, Tu Ngo, Carlos Crawford, Zerihun Assefa, and Richard E. Sykora. "Solid-State Photoluminescence Sensitization of Tb3+by Novel Au2Pt2and Au2Pt4Cyanide Clusters." Inorganic Chemistry 50, no. 6 (March 21, 2011): 2199–206. http://dx.doi.org/10.1021/ic101836a.

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44

Hongoh, Yuichi, Pinsurang Deevong, Satoshi Hattori, Tetsushi Inoue, Satoko Noda, Napavarn Noparatnaraporn, Toshiaki Kudo, and Moriya Ohkuma. "Phylogenetic Diversity, Localization, and Cell Morphologies of Members of the Candidate Phylum TG3 and a Subphylum in the Phylum Fibrobacteres, Recently Discovered Bacterial Groups Dominant in Termite Guts." Applied and Environmental Microbiology 72, no. 10 (August 21, 2006): 6780–88. http://dx.doi.org/10.1128/aem.00891-06.

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ABSTRACT Recently we discovered two novel, deeply branching lineages in the domain Bacteria from termite guts by PCR-based analyses of 16S rRNA (Y. Hongoh, P. Deevong, T. Inoue, S. Moriya, S. Trakulnaleamsai, M. Ohkuma, C. Vongkaluang, N. Noparatnaraporn, and T. Kudo, Appl. Environ. Microbiol. 71:6590-6599, 2005). Here, we report on the specific detection of these bacteria, the candidate phylum TG3 (Termite Group 3) and a subphylum in the phylum Fibrobacteres, by fluorescence in situ hybridization in the guts of the wood-feeding termites Microcerotermes sp. and Nasutitermes takasagoensis. Both bacterial groups were detected almost exclusively from the luminal fluid of the dilated portion in the hindgut. Each accounted for approximately 10% of the total prokaryotic cells, constituting the second-most dominant groups in the whole-gut microbiota. The detected cells of both groups were in undulate or vibroid forms and apparently resembled small spirochetes. The cell sizes were 0.2 to 0.4 by 1.3 to 6.0 μm and 0.2 to 0.3 by 1.3 to 4.9 μm in the TG3 and Fibrobacteres, respectively. Using PCR screenings with specific primers, we found that both groups are distributed among various termites. The obtained clones formed monophyletic clusters that were delineated by the host genus rather than by the geographic distance, implying a robust association between these bacteria and host termites. TG3 clones were also obtained from a cockroach gut, lake sediment, rice paddy soil, and deep-sea sediments. Our results suggest that the TG3 and Fibrobacteres bacteria are autochthonous gut symbionts of various termites and that the TG3 members are also widely distributed among various other environments.

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45

Janek, Maciej, Tadeusz M. Muzioł, and Piotr Piszczek. "Trinuclear Oxo-Titanium Clusters: Synthesis, Structure, and Photocatalytic Activity." Materials 12, no. 19 (September 29, 2019): 3195. http://dx.doi.org/10.3390/ma12193195.

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The interest in titanium (IV) oxo-complexes is due to their potential application in photodegradation processes and environmental pollutants reduction. Titanium (IV) oxo-complexes (TOCs) of the general formula [Ti3O(OiPr)8(OOCR’)2] (R’ = -C13H9 (1), -p-PhCl (2), -m-PhNO2 (3), -C4H7 (4)) were synthesized and structurally characterized. The use of the different carboxylate ligands allowed modulating the optical band gaps of the produced microcrystals, which were measured via diffuse reflectance ultraviolet and visible spectroscopy (UV-Vis-DRS) and calculated using the density functional theory (DFT) method. The dispersion of TOCs (1–3) in the poly (methyl methacrylate) matrix (PMMA) led to the formation of polymer/TOCs composites, which in the next stage of our works have been applied in the photocatalytic activity estimation of synthesized trinuclear Ti(IV) oxo-complexes. Studies of the photocatalytic degradation of methylene blue (MB) induced by UV irradiation exhibit that the PMMA-TOCs composite containing (1) oxo-clusters is the most active, followed by the system containing the complex (3).

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46

Wang, Huan, Dan-Hong Zou, Guo-Qin Jiang, and Jie Dai. "Cluster-to-cluster charge transfer in a compound with a co-crystallized dye-anchored Ti6 cluster and a classical Ti12 cluster." Dalton Transactions 48, no. 24 (2019): 8569–72. http://dx.doi.org/10.1039/c9dt00812h.

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47

Zhang, Hai Dong, Yu Shen, and Xu Xu Zheng. "First-Principles Study on the Phase Transformation of V⁴⁺-Doped TiO₂ from Anatase to Rutile." Advanced Materials Research 239-242 (May 2011): 2002–5. http://dx.doi.org/10.4028/www.scientific.net/amr.239-242.2002.

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First-principles simulation was carried out to study the phase transformation of vanadium doped TiO2 from anatase to rutile based on Ti5O10 cluster model. The Ti5O10 cluster models of anatase and rutile and corresponding V4+ isomorphous replaced cluster models were calculated to study the change of total energy, the ways of angular distortion, the change of frontier orbitals and the Ti4+ in the model preferentially substituted by V4+. The calculation results reflect that the V2O4 species, which has a rutile-like structure, can promote the phase transition from anatase to rutile. The single α electron in Ti4VO10 cluster model makes change to the frontier orbitals and the uneven contribution of electrons in valence shell may be the force driving the angular distortion in anatase lattice to rutile-like structure.

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48

Schwartz, M., and T. Etzion. "Two-Dimensional Cluster-Correcting Codes." IEEE Transactions on Information Theory 51, no. 6 (June 2005): 2121–32. http://dx.doi.org/10.1109/tit.2005.847726.

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49

Srinath, K. Pavan, and Ramji Venkataramanan. "Cluster-Seeking James–Stein Estimators." IEEE Transactions on Information Theory 64, no. 2 (February 2018): 853–74. http://dx.doi.org/10.1109/tit.2017.2783543.

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Fu, Huazhu, Xiaochun Cao, and Zhuowen Tu. "Cluster-Based Co-Saliency Detection." IEEE Transactions on Image Processing 22, no. 10 (October 2013): 3766–78. http://dx.doi.org/10.1109/tip.2013.2260166.

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