Synthesis, Characterization and Crystal Structure of Mononuclear Bis(2-aminopyridine) Zinc Complex | Chapter 7 | Recent Developments in Chemistry and Biochemistry Research Vol. 7

In this paper, a simple one-pot synthesis, characterization and crystal structure of novel N-Zn complex is described. 1H and 13C NMR spectra were obtained using a Bruker AM-300 spectrometer. Infrared spectra were recorded on a Mattson Galaxy Series FTIR 3000 spectrometer. 2-Aminopyridine reacts with Zn(OAc)2·2H2O in alcohol and forms the mononuclear bis(2-aminopyridine)- zinc complex, whose structure was determined via X-ray diffraction analysis. The complex is also characterized by nuclear magnetic resonance (NMR) spectroscopy, infrared (IR) spectroscopy, mass spectrometry (MS), and elemental analysis. The crystal is a prism and has a spacegroup of P2(1)/n, with the following parameters: with a = 9.1914(8) Å, b = 13.8595(12) Å, c =13.2921(12) Å, α = 90.00 º, β = 92.474 º, γ = 90.00 º, λ =0.7103°, V = 1691.7(3), Z = 4, Dc = 1.459 g/cm3, Mr = 371.69 and F (000) = 768, R = 0.0416, wR = 0.0793 for 3689.

 

Author (s) Details

Luo Mei
Department of Chemical Engineering, Hefei University of Technology, Hefei-230009, P.R., China.

 

Tang Hai Ming
Department of Chemical Engineering, Hefei University of Technology, Hefei-230009, P.R., China.

 

Please see the book here:- https://doi.org/10.9734/bpi/rdcbr/v7/2729

A Report on the Crystal Structure of Monoprotonated Tripodal Ligand Tris(2,2'-bipyrid-6-yl) Methanol: Potential Precursor for COF | Chapter 8 | Chemistry and Biochemistry: Research Progress Vol. 3

Versatile drug delivery systems could be based on porous materials which could encapsulate active pharmaceutical ingredients. These composite materials could be based on organic-inorganic, organic-organic hybrid systems and called metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) respectively. The tripodal bipyridine-based ligand tris(2,2’-bipyrid-6-yl) methanol (L1) was shown in our previous work to have a strong steric preference for trigonal prismatic coordination environments with a series of transition metals. Herein we report the crystal structure of the ligand framework, isolated in its monoprotonated form with a perchlorate counterion. The structure was solved in a monoclinic space group C2/c with cell parameters, a = 21.5885(3), b = 11.7485(3), c = 24.6939(6) Å, α = 90°, β =110.790(1) °, γ = 90°, volume = 5855.4(2) Å3, Z = 8.  The 1H NMR of the protonated ligand is similar to the parent ligand and showed the compound retained its 3-fold symmetry and all bipyridine groups were equivalent. This study has shown that the solid state structure of the protonated form of the ligand (Tbpym-L1) has a structure consisting of the three bipyridyl moieties connected to a central carbon. The pyridyl rings connected directly to the central carbon all have their nitrogen donor pointing to the centre of the molecule, perhaps suggesting they all interact with the proton. The potential application of the protonated tripodal ligand in coordinate covalent organic frameworks (COFs) and metal-organic polyhedral (MOP) based drug delivery systems (DDS) is also proposed. Additionally, rhenium or ruthenium-coordinated radiotherapeutic agents are also envisaged.

 

Author (s) Details

 

CuhaWijay Sathiyajith
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff, CF10 3AT, UK and SAAINNOVATE, Sydney, Australia.

 

James C. Knight
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff, CF10 3AT, UK.

 

Benson Kariuki
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff, CF10 3AT, UK.

 

Peter G. Edwards
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff, CF10 3AT, UK.

 

Please see the book here:- https://doi.org/10.9734/bpi/cbrp/v3/4129

Synthesis, X-ray Crystal Structure, Spectroscopic Characterization, DFT Studies, and Anti-COVID-19 Molecular Docking Investigation of 2-(2-Formylphenoxy) Acetamide | Chapter 8 | Recent Developments in Chemistry and Biochemistry Research Vol. 4

The context of this study was to analyze 2-(2-formylphenoxy) acetamide’s potential antiviral properties. The compound was synthesized using the slow evaporation solution growth technique. The structure was confirmed by X-ray diffraction analysis, revealing that it crystallizes in the monoclinic system with the centrosymmetric space group P2 1/n. Spectroscopic techniques were employed and supported by Density Functional Theory (DFT) calculations to investigate the optimized structure, stability, hardness, softness, Mulliken charge distribution, and molecular electrostatic potential (MEP). Molecular docking studies indicated a good binding affinity of the compound for the SARS-CoV-2 target protein 6NUS, with a binding affinity score of -6.73 kcal/mol. These findings suggest the potential of 2-(2-formylphenoxy) acetamide as an antiviral agent, providing a basis for further development in antiviral research.

 

Author (s) Details

Selvaraj Geetha
Department of Physics, Chevalier T. Thomas Elizabeth College for Women, Perambur, Chennai 600 011, Tamil Nadu, India and Department of Physics, S.D.N.B. Vaishnav College for Women, Chromepet, Chennai 600 044,Tamil Nadu, India.

Rajendran Sribalan
Biochemie Innovations Lab, Tindivanam-604001, Tamil Nadu, India.

 

Srinivasakannan LakshmiA
Department of Physics, S.D.N.B. Vaishnav College for Women, Chromepet, Chennai 600 044,Tamil Nadu, India.

 

Please see the book here:- https://doi.org/10.9734/bpi/rdcbr/v4/776

 

Use of Perovskite in X-ray Detection for Medical Imaging Technology: A Novel Perspectives | Chapter 3 | Fundamental Research and Application of Physical Science Vol. 1

 In this review paper the challenges and future scope of the reported work in the lead based and lead free single and polycrystalline perovskites is studied. Most of the reported results are based on single pixel detection.  Perovskite crystals are suitable for X-ray detection because of their special properties and easy synthesis. The following sections discuss the structure of perovskite crystals, performance metrics, crystallisation methods, benefits and drawbacks of reported perovskites as a detector material, challenges, and potential future applications. X-ray imaging is a potent tool used in research, nuclear power plants, non-destructive material inspection, security checks, and medical diagnostics. Due to its noticeably improved sensitivity, low-cost synthesis, detection limit, quick response time, and better special resolution, perovskites is regarded as a promising candidate for X-ray detection. In comparison to the conventional X-ray detector, stability is a measure concern as majority of the reported perovskite materials degrade after their exposure to heat or moisture, strong electric fields as well as with longer duration of X-ray irradiation.

Author(s) Details:

Bhavana Butey,
Department of Physics, G H Raisoni College of Engineering, Nagpur, Maharashtra, India.

Please see the link here: https://stm.bookpi.org/FRAPS-V1/article/view/9971

Crystal Structure, DFT, Hirshfeld Surface Analysis, and Energy Frameworks Study of 8-hydroxy1,2,3,5,6,7-hexahydropyrido [3,2,1-ij]quinoline-9- Carbaldehyde| Chapter 4 | Recent Progress in Chemical Science Research Vol. 6

 In the title compound, C13H15NO2, the melded non-aromatic rings of the julolidine subdivision incorporate envelope conformations. In order to conceive a S(6) ring motif, the hydroxy group enacts an intramolecular hydrogen connection with the aldehyde O mite. Weak intermolecular C—H O hydrogen bonds help to stabilize the clear structure. The molecular form of a solid-state compound is got experimentally and compared to optimum density working theory (DFT) forms at the B3LYP/6-311 G(d,p) level. The different intermolecular interactions and the transparent packing substance of the compound have been determined by Hirshfeld surface reasoning. To study the stability of the fragment and recognize the dominant strength type, energy foundations were constructed, using miscellaneous intermolecular interaction strengthes.

Author(s) Details:

Asif Jamal,
PG Department of Chemistry, Langat Singh College, B.R.A. Bihar University, Muzaffarpur, Bihar, India.

Md. Serajul Haque Faizi,
PG Department of Chemistry, Langat Singh College, B.R.A. Bihar University, Muzaffarpur, Bihar, India.

Please see the link here: https://stm.bookpi.org/RPCSR-V6/article/view/9251

Analysis ofCrystal Structure the BaTiO3 and ZrO2-doped (Bi0.5Na0.5)TiO3 with X-ray Diffraction Techniques Using the Rietveld Method | Chapter 7 | New Visions in Science and Technology Vol. 3

The crystal structures of a (Bi0.5Na0.5)TiO3 (BNT) compound doped with BaTiO3 (BT) and ZrO2 were investigated. (Bi0.5Na0.5)0.93Ba0.05Zr0.02TiO3 (BNBZT1), (Bi0.5Na0.5)0.90Ba0.05Zr0.05 (BNBZT2), and (Bi0.5Na0.5)0.85Ba0.05Zr0.10TiO3 (BNBZT3) were the three types of samples prepared (BNBZT3). In a solid-state reaction approach, the samples were generated using Bi2O3, Na2CO3, BaCO3, TiO2, and ZrO2 powders as basic ingredients. In an agate mortar, the fundamental ingredients were mixed for 3 hours. A 3,000 psi hydraulic press was utilised to make pellets from a precursor. Pellets were sintered for 5 hours at 1000°C after being calcined for an hour at 300°C. The materials were characterised using X-ray diffraction techniques based on the Rietveld method and Raman spectroscopy. BNT doped BT and ZrO2 had a tetragonal structure, space group I4/mcm, Volume I, No.140, with lattice parameters a = b = 5.519 (2), c = 7.808 (4) (BNBZT1), a = b = 5.512 (1), c = 7.798 (5) (BNBZT2), and a = b = 5.513 (1), c = 7.800 (2) ( (BNBZT3). By partial substitution of cations (Bi, Na)2+, Ba2+ and Zr4+ cations entered the BNT crystal structure in these three samples. However, some Ti3+ cations in BNBZT3 were replaced by Zr4+. BNBZT1, BNBZT2, and BNBZT3 have the ionic configuration (compound) (Bi0,45Na0,48)0,93Ba0,05Zr0,01TiO3, (Bi0,41Na0,49)0,90Ba0,05Zr0,03TiO3 and (Bi0,42Na0,43)0,85Ba0,05Zr0,01(Ti

Author (S) Details

Engkir Sukirman
Centre for Science and Technology of Advance Materials-BATAN, Puspiptek, Setu 15314, Tangerang Selatan, Banten province, Indonesia.

Syahfandi Ahda
Centre for Science and Technology of Advance Materials-BATAN, Puspiptek, Setu 15314, Tangerang Selatan, Banten province, Indonesia.

. Mardiyanto
Centre for Science and Technology of Advance Materials-BATAN, Puspiptek, Setu 15314, Tangerang Selatan, Banten province, Indonesia.

View Book :- https://stm.bookpi.org/NVST-V3/article/view/37245678

An Investigation of Thermodynamic Prehistory in the Formation of the Internal Structure of Highly Stable Ferroelectric Materials | Chapter 4 | Current Approaches in Science and Technology Research Vol. 7

 We investigated and presented our findings for the dependence of the crystalline and grain structure characteristics of the PCR-13 material (based on the lead zirconate titanate (PZT) system) sintered in various ways on the regulations for its preparation. The data from the surface microfluorescence analysis of ceramic materials were provided, allowing us to state that micro X-ray fluorescence spectrometry (MICRO–XRF), We can trace even minor changes in the chemical composition of ceramic samples, characterize the degree of surface homogeneity reliably, and provide strict mathematical conclusions about the reproducibility of the properties of manufactured piezoelectric ceramic materials when combined with mathematical statistics. The optimal conditions for ceramics have been selected based on the obtained data, ensuring homogeneity, high-density structure, and reproducibility of the characteristics. This enables us to use the material in frequency-selective equipment with confidence. The most homogeneous (perfect) structure has been discovered to be realized using conventional ceramic technology.

Author (S) Details

Konstantin P. Andryushin
Research Institute of Physics, Southern Federal University, Rostov-on-Don 344090, Russia.

Inna N. Andryshina
Research Institute of Physics, Southern Federal University, Rostov-on-Don 344090, Russia.

Lidiya A. Shilkina
Research Institute of Physics, Southern Federal University, Rostov-on-Don 344090, Russia.

Svetlana I. Dudkina
Research Institute of Physics, Southern Federal University, Rostov-on-Don 344090, Russia.

Iliya A. Verbenko
Research Institute of Physics, Southern Federal University, Rostov-on-Don 344090, Russia.

Larisa A. Reznichenko
Research Institute of Physics, Southern Federal University, Rostov-on-Don 344090, Russia.

Mihail I. Mazuritskiy
Department of Physics of Nano-systems and Spectroscopy of the Physics Faculty, South Federal University, Rostov-on-Don 344090, Russia.

Alexandr V. Nagaenko
Research and Design Bureau “Piezopribor”, South Federal University, 344090 Rostov-on-Don, Russia.

Ivan A. Parinov
I. I. Vorovich Mathematics, Mechanics and Computer Sciences Institute, Southern Federal University, Rostov-on-Don 344090, Russia.

Shun-Hsyung Chang
National Kaohsiung University of Science and Technology, Kaohsiung, Taiwan.

Hung-Yu Wang
National Kaohsiung University of Science and Technology, Kaohsiung, Taiwan.

View Book :-  https://stm.bookpi.org/CASTR-V7/article/view/1814