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Keywords = P–V–L theory

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14 pages, 4242 KB  
Article
Research on the Process of Cutting Nonwoven Materials Using Surgical Gauze as an Example
by Marcin Zastempowski, Andrzej Bochat and Maciej Janiec
Materials 2025, 18(13), 3049; https://doi.org/10.3390/ma18133049 - 27 Jun 2025
Viewed by 559
Abstract
The aim of this study was to examine the functional characteristics of the process of cutting surgical gauze with a drum cutting unit. For this purpose, the authors designed and constructed a test stand on which experimental tests were conducted. As part of [...] Read more.
The aim of this study was to examine the functional characteristics of the process of cutting surgical gauze with a drum cutting unit. For this purpose, the authors designed and constructed a test stand on which experimental tests were conducted. As part of this study, the results of the experimental tests are presented, which were conducted for three selected thicknesses of surgical gauze samples, four selected angles of feeding of the material to be cut and nine selected cutting speeds. In order to determine cutting resistance, the specific cutting resistance was used, and the energy consumption was estimated using the specific cutting work related to the cutting surface of the surgical gauze. The conducted experimental studies demonstrated that the highest value of the specific cutting resistance pc=78.14 Nm1  occurred during the cutting of eight-layer gauze at a cutting angle α=0° and a cutting speed Vc=0.66 ms1. Meanwhile, the highest value of the specific cutting work was approximately LjS=120.00 Jm2 during the cutting of three-layer gauze, also at a cutting speed Vc=0.66 ms1 for cutting angles α=0°  and α=5°. This study found that Vc=0.66 ms1 is the threshold cutting speed at which the material is cut. Below this speed, the cutting drum does not have enough momentum to cut the material. Based on the statistical analysis of the obtained test results, it was concluded that there exists a relationship between the independent and dependent variables. The cutting speed has the greatest impact on the parameters of the surgical gauze cutting process. The test results, which have not been found in the worldwide literature to date, constitute a valuable contribution to the development of the theory of surgical gauze cutting. The experimentally determined specific cutting resistance pc and specific cutting work of surgical gauze broaden the knowledge of the materials used in medicine and contribute to the expansion of scientific knowledge in this field. Full article
(This article belongs to the Section Biomaterials)
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18 pages, 780 KB  
Article
Graffiti and the Aura of Anonymity
by Adrian Guo Silver
Humanities 2025, 14(5), 110; https://doi.org/10.3390/h14050110 - 19 May 2025
Viewed by 1326
Abstract
Graffiti’s dual existence as both public art and illicit practice has generated sustained legal, cultural, and aesthetic debates. This article examines the role of anonymity in shaping how graffiti is recognized, regulated, and interpreted within both legal frameworks and artworld aesthetics. Focusing on [...] Read more.
Graffiti’s dual existence as both public art and illicit practice has generated sustained legal, cultural, and aesthetic debates. This article examines the role of anonymity in shaping how graffiti is recognized, regulated, and interpreted within both legal frameworks and artworld aesthetics. Focusing on the legal battle over 5Pointz, a prominent New York graffiti site that was whitewashed in 2013 and demolished in 2014, I analyze how the Cohen v. G&M Realty L.P. case reveals a structural tension between graffiti’s collective ethos and the legal system’s emphasis on identifiable authorship. Drawing upon legal studies, urban cultural theory, and aesthetics, this article explores how the Visual Artists Rights Act (VARA) mediated the legal recognition of graffiti, often privileging curated, institutionally sanctioned works while rendering anonymous street art legally vulnerable. I further synthesize scholarly perspectives on 5Pointz to highlight how legal discourse constructs and delimits the status of graffiti within public spaces. Ultimately, I argue that anonymity functions not simply as an absence of authorship but as an aesthetic and political mode of experiencing the object, one that challenges traditional frameworks of artistic attribution and cultural legitimacy. By interrogating the legal and ideological forces that shape graffiti’s recognition, this article situates anonymity as a central, yet often overlooked, feature of graffiti’s critical and aesthetic power. Full article
(This article belongs to the Special Issue Law and Literature: Graffiti)
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32 pages, 2979 KB  
Article
Synthesis, Absolute Configuration, Biological Profile and Antiproliferative Activity of New 3,5-Disubstituted Hydantoins
by Mladenka Jurin, Ana Čikoš, Višnja Stepanić, Marcin Górecki, Gennaro Pescitelli, Darko Kontrec, Andreja Jakas, Tonko Dražić and Marin Roje
Pharmaceuticals 2024, 17(10), 1259; https://doi.org/10.3390/ph17101259 - 24 Sep 2024
Cited by 1 | Viewed by 2614
Abstract
Hydantoins, a class of five-membered heterocyclic compounds, exhibit diverse biological activities. The aim of this study was to synthesize and characterize a series of novel 3,5-disubstituted hydantoins and to investigate their antiproliferative activity against human cancer cell lines. The new hydantoin derivatives 5a [...] Read more.
Hydantoins, a class of five-membered heterocyclic compounds, exhibit diverse biological activities. The aim of this study was to synthesize and characterize a series of novel 3,5-disubstituted hydantoins and to investigate their antiproliferative activity against human cancer cell lines. The new hydantoin derivatives 5ai were prepared as racemic mixtures of syn- and anti-isomers via a base-assisted intramolecular amidolysis of C-3 functionalized β-lactams. The enantiomers of syn-5a and anti-hydantoins 5b were separated by preparative high-performance liquid chromatography (HPLC) using n-hexane/2-propanol (90/10, v/v) as the mobile phase. The absolute configuration of the four allyl hydantoin enantiomers 5a was assigned based on a comparison of the experimental electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) spectra with those calculated using density functional theory (DFT). The antiproliferative activity evaluated in vitro against three different human cancer cell lines: HepG2 (liver hepatocellular carcinoma), A2780 (ovarian carcinoma), and MCF7 (breast adenocarcinoma), and on the non-tumor cell line HFF1 (normal human foreskin fibroblasts) using the MTT cell proliferation assay. In silico drug-like properties and ADMET profiles were estimated using the ADMET Predictor ver. 9.5 and the online server admetSAR. Eighteen new 3,5-disubstituted hydantoins were synthesized and characterized. The compound anti-5c showed potent cytotoxic activity against the human tumor cell line MCF7 (IC50 = 4.5 µmol/L) and the non-tumor cell line HFF1 (IC50 = 12.0 µmol/L). In silico analyzes revealed that the compounds exhibited moderate water solubility and membrane permeability and are likely substrates for CYP3A4 and P-glycoprotein and have a high probability of antiarthritic activity. Full article
(This article belongs to the Special Issue Heterocyclic Compounds in Medicinal Chemistry)
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15 pages, 3542 KB  
Article
Effect of (Ba1/3Nb2/3)4+ Substitution on Microstructure, Bonding Properties and Microwave Dielectric Properties of Ce2Zr3(MoO4)9 Ceramics
by Huamin Gao, Xiangyu Xu, Xinwei Liu, Xiaoyu Zhang, Mingling Li, Jialun Du and Haitao Wu
Ceramics 2024, 7(3), 1172-1186; https://doi.org/10.3390/ceramics7030077 - 29 Aug 2024
Viewed by 1117
Abstract
In this study, Ce2[Zr1−x(Ba1/3Nb2/3)x]3(MoO4)9 (0.02 ≤ x ≤ 0.1, CZ1−xNx) ceramics were sintered at 600 °C and 700 °C using the traditional [...] Read more.
In this study, Ce2[Zr1−x(Ba1/3Nb2/3)x]3(MoO4)9 (0.02 ≤ x ≤ 0.1, CZ1−xNx) ceramics were sintered at 600 °C and 700 °C using the traditional solid-state method. An analysis conducted through XRD and Rietveld refinement confirmed that all the CZ1−xNx ceramics displayed a single phase with a trigonal structure (space group R-3c). The observed increases in cell volume with increasing x values indicate the successful substitution of (Ba1/3Nb2/3)4+. The high densification of the synthesized phase was validated by the density and SEM results. Additionally, the P-V-L theory demonstrates a strong correlation between the Ce-O bond and εr, as well as τf, and between the Mo-O bond and Q×f. Notably, the CZ0.98N0.02 ceramics demonstrated superior performance at 675 °C, exhibiting εr = 10.41, Q×f = 53,296 GHz, and τf = −23.45 ppm/°C. Finally, leveraging CZ0.98N0.02 ceramics as substrate materials enabled the design of a patch antenna suitable for the 5G communication band, demonstrating its significant potential in this field. Full article
(This article belongs to the Special Issue Advances in Electronic Ceramics)
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15 pages, 275 KB  
Article
Existence of Solutions: Investigating Fredholm Integral Equations via a Fixed-Point Theorem
by Faruk Özger, Merve Temizer Ersoy and Zeynep Ödemiş Özger
Axioms 2024, 13(4), 261; https://doi.org/10.3390/axioms13040261 - 14 Apr 2024
Cited by 11 | Viewed by 1998
Abstract
Integral equations, which are defined as “the equation containing an unknown function under the integral sign”, have many applications of real-world problems. The second type of Fredholm integral equations is generally used in radiation transfer theory, kinetic theory of gases, and neutron transfer [...] Read more.
Integral equations, which are defined as “the equation containing an unknown function under the integral sign”, have many applications of real-world problems. The second type of Fredholm integral equations is generally used in radiation transfer theory, kinetic theory of gases, and neutron transfer theory. A special case of these equations, known as the quadratic Chandrasekhar integral equation, given by x(s)=1+λx(s)01st+sx(t)dt, can be very often encountered in many applications, where x is the function to be determined, λ is a parameter, and t,s[0,1]. In this paper, using a fixed-point theorem, the existence conditions for the solution of Fredholm integral equations of the form χ(l)=ϱ(l)+χ(l)pqk(l,z)(Vχ)(z)dz are investigated in the space Cωp,q, where χ is the unknown function to be determined, V is a given operator, and ϱ,k are two given functions. Moreover, certain important applications demonstrating the applicability of the existence theorem presented in this paper are provided. Full article
9 pages, 3654 KB  
Communication
The Monitoring and Cell Imaging of Fe3+ Using a Chromone-Based Fluorescence Probe
by Yongjun Bian, Xingyu Qu, Fengying Zhang, Zhengwei Zhang and Jin Kang
Molecules 2024, 29(7), 1504; https://doi.org/10.3390/molecules29071504 - 28 Mar 2024
Cited by 3 | Viewed by 1493
Abstract
A new structurally simple fluorescent CP probe based on chromone was designed and synthesized, and its structure was fully characterized using various analytical techniques. The CP probe displays a high selectivity and sensitivity for sensing Fe3+ with a “turn-off” fluorescence response over [...] Read more.
A new structurally simple fluorescent CP probe based on chromone was designed and synthesized, and its structure was fully characterized using various analytical techniques. The CP probe displays a high selectivity and sensitivity for sensing Fe3+ with a “turn-off” fluorescence response over other metal ions in a DMSO/H2O (4:1, v/v) solution. The experiment results show that the CP probe is stable over a wide pH range of 2.0–12.0. The detection limit for Fe3+ was calculated to be 0.044 μmol•L−1. The molar ratio method indicated that the binding mode between the CP probe and Fe3+ is a 1:1 complex formation. HR-MS and density functional theory (DFT) calculations were also performed to further confirm the recognition mechanism. Both fluorescence imaging experiments and the MTT assay demonstrated that the CP probe was suitable for detecting intracellular Fe3+ and no significant cytotoxicity in living cells. Full article
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17 pages, 4574 KB  
Article
Groundwater Responses of Foundation Subjected to Water Level Fluctuation of Reservoir Considering Variability of Layered Structure
by Ruixuan Tang, Tao Wen, Zhenyan Bao, Yankun Wang and Mingyi Hu
Water 2024, 16(1), 81; https://doi.org/10.3390/w16010081 - 25 Dec 2023
Cited by 1 | Viewed by 1903
Abstract
The effect of the variability in a layered structure, characterized by the spatial variability of the saturated hydraulic conductivity, on the distribution of a pressure head p in a foundation subjected to water level fluctuation in a reservoir is investigated with the aid [...] Read more.
The effect of the variability in a layered structure, characterized by the spatial variability of the saturated hydraulic conductivity, on the distribution of a pressure head p in a foundation subjected to water level fluctuation in a reservoir is investigated with the aid of the random field theory, Karhunen–Loève (K-L) expansion, first-order moment approach, and cross-correlation analysis. The results show that the variability in the foundation structure has significant impacts on the groundwater response to the reservoir’s water level fluctuations. Regions with relatively large uncertainties of the p and σp values in the foundation are those around the initial water level at the reservoir side, and those at the distal end away from the reservoir. In addition, there is a larger variance of Ks, denoted as σlnKs2, a larger correlation scale in the horizontal direction λh, a larger correlation scale in the vertical direction λv, and a larger one-way time consumption of fluctuations T to a larger uncertainty in p. Moreover, the four factors (σlnKs2, λh, λv, and T) all have positive correlations with σp. σlnKs2 has the largest impact on σp in the foundation, λv has the second largest impact, and λh has the smallest impact. A foundation with small Ks values around the initial water level at the reservoir side and large Ks values around the highest water level at the reservoir side may produce larger p values in the foundation. These results yield useful insight into the effect of the variability in a layered structure on the distribution of the pressure head in a foundation subjected to water level fluctuation in a reservoir. Full article
(This article belongs to the Special Issue Water-Related Geoenvironmental Issues)
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15 pages, 5721 KB  
Article
Particle Formation Mechanism of TiCl4 Hydrolysis to Prepare Nano TiO2
by Qianjun Le, Shengfei Yu and Wusheng Luo
Appl. Sci. 2023, 13(22), 12213; https://doi.org/10.3390/app132212213 - 10 Nov 2023
Cited by 4 | Viewed by 3483
Abstract
This study utilizes Aspen Plus chemical process simulation software (V11), applies uniform nucleation theory and growth kinetics equations, and explores the particle formation mechanism of TiCl4 hydrolysis to prepare nano TiO2. In the water/ethanol system, the effects of the reaction [...] Read more.
This study utilizes Aspen Plus chemical process simulation software (V11), applies uniform nucleation theory and growth kinetics equations, and explores the particle formation mechanism of TiCl4 hydrolysis to prepare nano TiO2. In the water/ethanol system, the effects of the reaction time, reaction temperature, water addition, pH value, and ethanol amount on the crystal nucleation rate and TiO2 particle distribution (PSD) were studied in detail by adding triethanolamine dropwise and using the Aspen Plus chemical process software simulation calculation method. The calculation results indicate that at room temperature, the formation of TiO2 crystal nuclei mainly occurs in the first 300 s and then enters the growth stage. The reaction was carried out under neutral conditions at room temperature for 4 h in 1 mL TiCl4, 6 mL C6H15NO3, 15 mL H2O, and 30 mL C2H5OH. The maximum number of particles reached 195 mesh per cubic micrometer, and the particle size after crystal nucleus growth was smaller, with a D50 of 6.15 nm. The distribution curve shows a normal distribution, which is basically consistent with the experimental results. When studying various factors, it was found that controlling the reaction time within 60 min and maintaining the reaction temperature at room temperature can reduce the particle size D50 to 2.44 nm. Continuing to adjust the amount of water added, it was found that at 1 mL, D50 decreased again to 0.19 nm. Adjusting the pH value found that maintaining the neutrality did not change the particle size. Continuing to adjust ethanol, it was found that adding an appropriate amount of ethanol promoted nucleation and growth. At 4 mL, the maximum number of particles reached 199 mesh per cubic micrometer, but D50 slightly increased to 0.24 nm. Full article
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21 pages, 3357 KB  
Article
Phonon Characteristics of Gas-Source Molecular Beam Epitaxy-Grown InAs1−xNx/InP (001) with Identification of Si, Mg and C Impurities in InAs and InN
by Devki N. Talwar, Tzuen-Rong Yang and Hao-Hsiung Lin
Crystals 2023, 13(10), 1508; https://doi.org/10.3390/cryst13101508 - 17 Oct 2023
Viewed by 2839
Abstract
The lattice dynamical properties of dilute InAs1−xNx/InP (001) epilayers (0 ≤ x ≤ 0.03) grown by gas-source molecular beam epitaxy were carefully studied experimentally and theoretically. A high-resolution Brüker IFS 120 v/S spectrometer was employed to measure the room-temperature [...] Read more.
The lattice dynamical properties of dilute InAs1−xNx/InP (001) epilayers (0 ≤ x ≤ 0.03) grown by gas-source molecular beam epitaxy were carefully studied experimentally and theoretically. A high-resolution Brüker IFS 120 v/S spectrometer was employed to measure the room-temperature infrared reflectivity (IRR) spectra at near-normal incidence (θi = 0). The results in the frequency range of 180–500 cm−1 revealed accurate values of the characteristic In-As-like and In-N-like vibrational modes. For InAs1−xNx alloys, a classical “Drude–Lorentz” model was constructed to obtain the dielectric functions ε~ω in the far IR regions by incorporating InAs-like and InN-like transverse optical ωTO modes. Longitudinal optical ωLO phonons were achieved from the imaginary parts of the simulated dielectric loss functions. The theoretical results of IRR spectra for InAs1−xNx/InP (001) epilayers using a multi-layer optics methodology provided a very good agreement with the experimental data. At oblique incidence (θi ≠ 0), our study of s- and p-polarized reflectance (Rs,p(ω)) and transmission (Ts,p(ω)) spectra allowed the simultaneous perception of the ωTO and ωLO phonons of the InAs, InN and InAs0.97N0.03 layers. Based on the average t-matrix Green’s function theory, the results of local vibrational modes for light SiIn+ donors and SiAs, CAs acceptors in InAs were found in good agreement with the existing Raman scattering and infrared spectroscopy data. InInN, however, the method predicted an in-band mode for the MgIn acceptor while projecting an impurity mode of the SiIn+ donor to appear just above the maximum ωmaxInN[595 cm1] phonon frequency region. In InAs1−xNx/InP (001) epifilms, the comparison of reflectivity/transmission spectra with experiments and the predictions of impurity modes for isoelectronic donor and acceptor impurities in InAs and InN can be valuable for appraising the role of defects in other technologically important semiconductors. Full article
(This article belongs to the Special Issue Group-III Nitride Quantum Wells)
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15 pages, 3110 KB  
Article
Synthesis of a New Dinuclear Cu(I) Complex with a Triazine Ligand and Diphenylphosphine Methane: X-ray Structure, Optical Properties, DFT Calculations, and Application in DSSCs
by Carlos A. Peñuelas, José J. Campos-Gaxiola, Rody Soto-Rojo, Adriana Cruz-Enríquez, Edgar A. Reynoso-Soto, Valentín Miranda-Soto, Juventino J. García, Marcos Flores-Álamo, Jesús Baldenebro-López and Daniel Glossman-Mitnik
Inorganics 2023, 11(10), 379; https://doi.org/10.3390/inorganics11100379 - 25 Sep 2023
Cited by 5 | Viewed by 2392
Abstract
A new copper(I) complex, [Cu2(L)2dppm](PF6)2 (1) [L = 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine and dppm: Bis(diphenylphosphino)methane], was prepared and characterized by IR, 1H-NMR, 31P-NMR spectroscopy, elemental and thermogravimetric analysis, and a single-crystal X-ray diffraction technique. Complex [...] Read more.
A new copper(I) complex, [Cu2(L)2dppm](PF6)2 (1) [L = 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine and dppm: Bis(diphenylphosphino)methane], was prepared and characterized by IR, 1H-NMR, 31P-NMR spectroscopy, elemental and thermogravimetric analysis, and a single-crystal X-ray diffraction technique. Complex 1 is a dinuclear compound, showing that L and dppm act as tridentate and bidentate chelating ligands, respectively. The two Cu(I) atoms exhibit a distorted tetrahedral coordination sphere embedded in N3P environments. The supramolecular interactions in the solid-state structure are characterized by C−H···N, C−H···F, C-H···π and π···π intermolecular interactions, which we studied using Hirshfeld surface and fingerprint tools. Additionally, the complex was studied experimentally using UV–Vis spectroscopy and cyclic voltammetry, and theoretical studies with time-dependent density functional theory (TD-DFT) were performed. Moreover, the optical and electrochemical properties were studied, focusing on the band gap. Compound 1 was used as a co-sensitizer in a dye-sensitized solar cell, showing a good photovoltaic performance of 2.03% (Jsc = 5.095 mAcm−2, Voc = 757 mV, and FF = 52.7%) under 100 mW cm−2 (AM 1.5G) solar irradiation, which is similar to that of DSSC, which was only sensitized by N719 (2.2%) under the same condition. Full article
(This article belongs to the Collection Coordination Complexes for Dye-Sensitized Solar Cells (DSCs))
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18 pages, 6041 KB  
Article
Extractive Spectrophotometric Determination and Theoretical Investigations of Two New Vanadium(V) Complexes
by Kiril B. Gavazov, Petya V. Racheva, Antoaneta D. Saravanska, Galya K. Toncheva and Vasil B. Delchev
Molecules 2023, 28(18), 6723; https://doi.org/10.3390/molecules28186723 - 20 Sep 2023
Cited by 7 | Viewed by 1775
Abstract
Two new vanadium (V) complexes involving 6-hexyl-4-(2-thiazolylazo)resorcinol (HTAR) and tetrazolium cation were studied. The following commercially available tetrazolium salts were used as the cation source: tetrazolium red (2,3,5-triphenyltetrazol-2-ium;chloride, TTC) and neotetrazolium chloride (2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)phenyl]phenyl]-3,5-diphenyltetrazol-2-ium;dichloride, NTC). The cations (abbreviated as TT+ and NTC+ [...] Read more.
Two new vanadium (V) complexes involving 6-hexyl-4-(2-thiazolylazo)resorcinol (HTAR) and tetrazolium cation were studied. The following commercially available tetrazolium salts were used as the cation source: tetrazolium red (2,3,5-triphenyltetrazol-2-ium;chloride, TTC) and neotetrazolium chloride (2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)phenyl]phenyl]-3,5-diphenyltetrazol-2-ium;dichloride, NTC). The cations (abbreviated as TT+ and NTC+) impart high hydrophobicity to the ternary complexes, allowing vanadium to be easily extracted and preconcentrated in one step. The complexes have different stoichiometry. The V(V)–HTAR–TTC complex dimerizes in the organic phase (chloroform) and can be represented by the formula [(TT+)[VO2(HTAR)]]2. The other complex is monomeric (NTC+)[VO2(HTAR)]. The cation has a +1 charge because one of the two chloride ions remains undissociated: NTC+ = (NT2+Cl)+. The ground-state equilibrium geometries of the constituent cations and final complexes were optimized at the B3LYP and HF levels of theory. The dimer [(TT+)[VO2(HTAR)]]2 is more suitable for practical applications due to its better extraction characteristics and wider pH interval of formation and extraction. It was used for cheap and reliable extraction–spectrophotometric determination of V(V) traces in real samples. The absorption maximum, molar absorptivity coefficient, limit of detection, and linear working range were 549 nm, 5.2 × 104 L mol−1 cm−1, 4.6 ng mL−1, and 0.015–2.0 μg mL−1, respectively. Full article
(This article belongs to the Special Issue Advances in Vanadium Complexes)
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16 pages, 3469 KB  
Article
A New Zn(II) Azido Complex of L-Arginine: X-ray Crystal Structure, Hirshfeld, and AIM Studies
by Mezna Saleh Altowyan, Amal Yousri, Jörg H. Albering, Roland C. Fischer, Morsy A. M. Abu-Youssef, Mohammed Salah Ayoup, Assem Barakat and Saied M. Soliman
Crystals 2023, 13(9), 1375; https://doi.org/10.3390/cryst13091375 - 14 Sep 2023
Cited by 6 | Viewed by 1969
Abstract
The synthesis and X-ray crystal structure analyses of the azido complex [Zn(N3)(Arg)2](N3)·3H2O, where Arg is L-arginine, were presented. The molecular structure of the complex was further studied using FT-IR spectra as well as atoms in [...] Read more.
The synthesis and X-ray crystal structure analyses of the azido complex [Zn(N3)(Arg)2](N3)·3H2O, where Arg is L-arginine, were presented. The molecular structure of the complex was further studied using FT-IR spectra as well as atoms in molecules (AIM) theory. An analysis of the crystal data indicated monoclinic crystal system and P21 space group with a = 13.0283(5) Å, b = 15.2032(7) Å, c = 13.3633(6) Å, β = 114.3580(10)°, V = 2411.28(18) Å3, and Z = 4. Two of the [Zn(N3)(Arg)2](N3)·3H2O formulae represent the asymmetric unit of this complex where the geometric parameters of both units are slightly different. In [Zn(N3)(Arg)2](N3)·3H2O, the central Zn(II) ion is penta-coordinated with two Arg molecules as a bidentate ligand and one terminally coordinated azide ion. Each of the two Arg molecules are located trans to one another and coordinated with the Zn(II) via the N and O atoms of the amino and carboxylate groups, respectively. Hence, Zn(II) is five-coordinated and has a distorted square pyramidal coordination geometry. The supramolecular structure of the [Zn(N3)(Arg)2](N3)·3H2O complex was inspected using the Hirshfeld analysis. The O···H (26.6–28.4%), H···H (32.3–35.3%), and N···H (30.4–34.0%) contacts are the most significant interactions in the crystal structure of the [Zn(N3)(Arg)2](N3)·3H2O complex. The Zn–N, and Zn–O bonds have slight covalent interactions based on the AIM study. Full article
(This article belongs to the Special Issue New Advances in Transition Metal Complexes)
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12 pages, 5006 KB  
Article
Phase Structure, Bond Features, and Microwave Dielectric Characteristics of Ruddlesden–Popper Type Sr2TiO4 Ceramics
by Jun Yang, Jinbiao Pang, Xiaofang Luo, Laiyuan Ao, Qiang Xie, Xing Wang, Hongyu Yang and Xianzhong Tang
Materials 2023, 16(14), 5195; https://doi.org/10.3390/ma16145195 - 24 Jul 2023
Cited by 5 | Viewed by 1726
Abstract
This work studied the phase constitution, bond characteristics, and microwave dielectric performances of Sr2TiO4 ceramics. Based on XRD and Rietveld refinement analysis, pure tetragonal Ruddlesden–Popper type Sr2TiO4 ceramic is synthesized at 1425~1525 °C. Meanwhile, the microstructure is [...] Read more.
This work studied the phase constitution, bond characteristics, and microwave dielectric performances of Sr2TiO4 ceramics. Based on XRD and Rietveld refinement analysis, pure tetragonal Ruddlesden–Popper type Sr2TiO4 ceramic is synthesized at 1425~1525 °C. Meanwhile, the microstructure is dense and without porosity, indicating its high sinterability and densification. Great microwave dielectric performances can be obtained, namely an εr value of 39.41, and a Q × f value of 93,120 GHz, when sintered at 1475 °C. Under ideal sintering conditions, the extrinsic factors are minimized and can be ignored. Thus, the intrinsic factors are considered crucial in determining microwave dielectric performances. Based on the P–V–L complex chemical bond theory calculation, the largest bond ionicity, and proportions to the bond susceptibility from Sr–O bonds suggest that Sr–O bonds mainly determine the dielectric polarizability. However, the Ti–O bonds show lattice energy about three times larger than Sr–O bonds, emphasizing that the structural stability of Sr2TiO4 ceramics is dominated by Ti–O bonds, and the Ti–O bonds are vital in determining the intrinsic dielectric loss. The thermal expansion coefficient value of the Sr2TiO4 structure is also mainly decided by Ti–O bonds. Full article
(This article belongs to the Special Issue Advances in Dielectric Ceramics and Their Applications)
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17 pages, 3235 KB  
Article
Crystal Structure, Chemical Bond, and Microwave Dielectric Properties of Ba1−xSrx(Zn1/3Nb2/3)O3 Solid Solution Ceramics
by Lei Xiao, Lianwen Deng, Yu Zhang, Ping Wu, Wenfei Zeng and Sen Peng
Molecules 2023, 28(8), 3451; https://doi.org/10.3390/molecules28083451 - 13 Apr 2023
Cited by 6 | Viewed by 2658
Abstract
Ba1−xSrx(Zn1/3Nb2/3)O3 (BSZN) perovskite ceramics are prepared using the traditional solid-state reaction method. X-ray diffraction (XRD), Scanning electron microscopy (SEM), Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS) were used to analyze the phase composition, [...] Read more.
Ba1−xSrx(Zn1/3Nb2/3)O3 (BSZN) perovskite ceramics are prepared using the traditional solid-state reaction method. X-ray diffraction (XRD), Scanning electron microscopy (SEM), Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS) were used to analyze the phase composition, crystal structure, and chemical states of BSZN ceramics, respectively. In addition, the dielectric polarizability, octahedral distortion, complex chemical bond theory, and PVL theory were investigated in detail. Systematic research showed that Sr2+ addition could considerably optimize the microwave dielectric properties of BSZN ceramics. The change in τf value in the negative direction was attributed to oxygen octahedral distortion and bond energy (Eb), and the optimal value of 1.26 ppm/°C was obtained at x = 0.2. The ionic polarizability and density played a decisive role in the dielectric constant, achieving a maximum of 45.25 for the sample with x = 0.2. The full width at half-maximum (FWHM) and lattice energy (Ub) jointly contributed to improving the Q × f value, and a higher Q × f value corresponded to a smaller FWHM value and a larger Ub value. Finally, excellent microwave dielectric properties (εr = 45.25, Q × f = 72,704 GHz, and τf = 1.26 ppm/°C) were obtained for Ba0.8Sr0.2(Zn1/3Nb2/3)O3 ceramics sintered at 1500 °C for 4 h. Full article
(This article belongs to the Special Issue Advances in the Theoretical and Computational Chemistry)
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Article
On Born’s Reciprocal Relativity, Algebraic Extensions of the Yang and Quaplectic Algebra, and Noncommutative Curved Phase Spaces
by Carlos Castro Perelman
Universe 2023, 9(3), 144; https://doi.org/10.3390/universe9030144 - 9 Mar 2023
Cited by 2 | Viewed by 1682
Abstract
After a brief introduction of Born’s reciprocal relativity theory is presented, we review the construction of the deformed quaplectic group that is given by the semi-direct product of U(1,3) with the [...] Read more.
After a brief introduction of Born’s reciprocal relativity theory is presented, we review the construction of the deformed quaplectic group that is given by the semi-direct product of U(1,3) with the deformed (noncommutative) Weyl–Heisenberg group corresponding to noncommutative fiber coordinates and momenta [Xa,Xb]0; [Pa,Pb]0. This construction leads to more general algebras given by a two-parameter family of deformations of the quaplectic algebra, and to further algebraic extensions involving antisymmetric tensor coordinates and momenta of higher ranks [Xa1a2an,Xb1b2bn]0; [Pa1a2an,Pb1b2bn]0. We continue by examining algebraic extensions of the Yang algebra in extended noncommutative phase spaces and compare them with the above extensions of the deformed quaplectic algebra. A solution is found for the exact analytical mapping of the noncommuting xμ,pμ operator variables (associated to an 8D curved phase space) to the canonical YA,ΠA operator variables of a flat 12D phase space. We explore the geometrical implications of this mapping which provides, in the classical limit, the embedding functions YA(x,p),ΠA(x,p) of an 8D curved phase space into a flat 12D phase space background. The latter embedding functions determine the functional forms of the base spacetime metric gμν(x,p), the fiber metric of the vertical space hab(x,p), and the nonlinear connection Naμ(x,p) associated with the 8D cotangent space of the 4D spacetime. Consequently, we find a direct link between noncommutative curved phase spaces in lower dimensions and commutative flat phase spaces in higher dimensions. Full article
(This article belongs to the Collection Modified Theories of Gravity and Cosmological Applications)
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