Theoretical Investigation of Properties of Indoline-2,3-dione-3-oxime Using Chemicalize Software | Chapter 9 | Recent Developments in Chemistry and Biochemistry Research Vol. 6

Indoline-2,3-dione-3-oxime (IDOX) (Isatin-3-oxime) is employed as an anticonvulsant and is known for treating various disorders caused by the release of amino acids responsible for anxiety and excitatory behavior. With the application of chemicalize software of Chemaxon the structure and properties of IDOX were studied. In view of the biological importance of IDOX Properties, pka, Isoelectric Point, logP, logD, Solubility, Geometry, and HNMR were determined by using Chemicalize software and the data obtained was interpreted. Information about Structural details of Indoline-2,3-dione-3-oxime (IDOX) and pka value so obtained indicated the presence of one dissociable proton in IDOX.

 

Author (s) Details

K. Laxmi

Department of Chemistry, Chaitanya Bharathi Institute of Technology (CBIT), Gandipet, Hyderabad -500 075, India.

 

Please see the book here:- https://doi.org/10.9734/bpi/rdcbr/v6/2542

Utilization of Mathematical Software in Rejuvenating Senior Secondary School Students’ Interest in Geometry | Chapter 5 | Mathematics and Computer Science: Contemporary Developments Vol. 10

Geometry is a branch of Mathematics that deals with the measurement and properties of points, lines, curves and surfaces. It provides ground for the development of Mathematical thinking, from concrete visualization to abstract reasoning and modeling. Students’ interest is one of the major factors that influence students’ learning and achievement. The study investigated how the use of mathematical software rejuvenates Secondary School (SS1) students’ interest in Geometry. The study used a quasi-experimental non-randomized pre-test post-test control group design. The sample comprised 457 out of 12,308 SS1 students in 308 Government grant-aided secondary schools in Benue State, Nigeria. The study had three research questions and three hypotheses that guided the research. Geometry Interest Inventory (GII) was the instrument used for data collection and it was duly validated by four experts in Mathematics Education and one expert in Measurement and Evaluation at the Federal University of Agriculture, Makurdi. The reliability coefficients of GII were calculated to be 0.96 using Cronbach Alpha. Data were collated and analyzed using Mean, Standard Deviation and Analysis of Covariance (ANCOVA).  Answers were given to the research questions using the Mean and Standard Deviation and the research hypotheses were tested at 0.05 level of significance using ANCOVA. This study showed that the utilization of GeoEnzo software is a veritable strategy in the mathematics classroom. Results of the study revealed that students in the experimental group manifested greater(¯X=3.21)  interest in geometry taught than those in the control group(¯X=2.69). The study also revealed improvement in interest (0.00 < 0.05) as being statistically significant. The experimental group revealed no gender differences in the levels of interest in Geometry concepts they were exposed to. It was therefore recommended among others, that teachers should use GeoEnZo in the teaching of Geometry as well as other Mathematics concepts. The school authorities should create an enabling environment for Mathematics teachers to access GeoEnZo to enable them to teach geometry effectively so as to enhance the interest of both male and female students.

 

Author (s) Details

Age, Terungwa JamesA
Department of Mathematics Education, University of South Africa, Pretoria, South Africa.

 

Please see the book here:- https://doi.org/10.9734/bpi/mcscd/v10/3467

Scaffolding Guidelines in Geometry Learning for Learning Trajectory Optimization | Chapter 2 | Progress in Language, Literature and Education Research Vol. 3

Miscellaneous problems in education geometry and mastering arithmetic are faced by pupils at the school level and students in universities. The trouble of learners in learning arithmetic can be overcome by providing correct scaffolding. The purpose of this study search out find scaffolding directions in the form of learning courses to improve students' lines thinking levels. This qualitative research was administered at the undergraduate student level, with a total of 527 scholars. The results showed that stage guidelines evenly and precisely can help students search the learning course well and reach the optimal level of geometric thinking. Stage guidelines in the form of knowledge trajectory to correct students' geometric thinking level offset from explanation and review trailed by developing conceptual thinking. The incident of conceptual thinking demands strategies in the form of expanding representation tools, making friendships, and generating abstract learning.

Author(s) Details:

Trimurtini,
Faculty of Education and Psychology, Universitas Negeri Semarang, Indonesia.

St. Budi Waluya,
Faculty of Education and Psychology, Universitas Negeri Semarang, Indonesia.

Y. L. Sukestiyarno,
Faculty of Mathematics and Science, Universitas Negeri Semarang, Indonesia.

Iqbal Kharisudin,
Faculty of Mathematics and Science, Universitas Negeri Semarang, Indonesia.

Nursiwi Nugraheni,
Faculty of Education and Psychology, Universitas Negeri Semarang, Indonesia.

Please see the link here: https://stm.bookpi.org/PLLER-V3/article/view/12867

Determining the Properties of Phenobarbital an Antiepileptic Drug Using Chemcalise Software | Chapter 03 | Challenges and Advances in Chemical Science Vol. 6

 Barbiturate-class medications are used to treat some disorders, such as insomnia (difficulty sleeping), and to control certain seizures. Phenobarbital is an example of a medicinally important chemical. It's also renowned for its anticonvulsant, antidepressant, and antihypnotic properties [1]. Phenobarbital is used to treat seizures, and its structure is being investigated with the goal of making the medicine more inexpensive, with a wider spectrum of action, and ease of administration. It is regarded the most effective antiepileptic medicine and is utilised as a nonselective central nervous system depressant because of these benefits. Because of the therapeutic value of phenobarbital [1-3]. Chemaxon's chemcalise software was used to investigate its structure and characteristics, and the results were interpreted.

Author(S) Details

K. Laxmi
Department of Chemistry, Chaitanya Bharathi Institute of Technology (CBIT), Hyderabad, India.

View Book:- https://stm.bookpi.org/CACS-V6/article/view/4349

Application of Quantum Mechanical Calculations and Symmetry in Chemistry; Vibration Frequencies, Corrosion Inhibition and Prodrugs | Book Publisher International

 The principles of nature are the sole foundation for ab initio quantum chemistry: Molecular modelling methods that can accurately predict structures, energetics, reactivity, and other features of molecules have been created over the last two decades. Computational chemistry does not replace experimental studies, but it does play an important role in chemists' ability to:

Many molecular properties, such as bond energies and reaction energies, structures of ground-excited-and transition-states, atomic charges and electrostatic potentials, vibrational frequencies (IR and Raman), transition energies and intensities for UV and IR spectra, NMR chemical shifts, and dipole moment, can be computed.

This book was focused on three applications to show the importance of quantum chemistry calculations in chemical applications supporting experimentation.

The first application was for the electrical, chemical, vibration frequencies, and absorption intensities of SWCNTs, which differ greatly depending on symmetry, chirality, and diameter, necessitating experimental evaluation of these structural parameters. The vibrational density of states, especially at low frequencies, gives information about the structure of carbon nanotubes. Significant differences in the frequencies and relative intensities of these peaks provide a method for distinguishing between structurally different nanotubes. Experiments can now yield additional structural information thanks to our findings.

The second application involves calculating the geometrical structure, physical properties, and inhibition efficiency parameters of new organic compounds as inhibitors against carbon steel corrosion in acidic or basic solutions using the quantum mechanical method of PM3 and Density Functional Theory (DFT) of B3LYP with a level of 6-311++G (2d, 2p) in a simulated environment. The findings were in line with the experimental percent IE. Mulliken charges population analysis was used to investigate local reactivity. The third use involves adopting recommended novel prodrug designs to increase active drug solubility and thus bioavailability, increase permeability and absorption, and change the drug's distribution profile for improved efficacy, reduced toxicity, and adverse effects. Over time, new pharmacological therapy advances have become increasingly complex, time-consuming, and expensive. The Gaussian 09 programme was used to execute a computational method in our prodrug design. The total energy of the reactants was compared to the energies and transitional stages up to the final products. The goal of the theoretical study of the suggested primary pharmaceuticals is to see whether there are any ways to improve the qualities of prodrugs and if there are any new alternatives to approved prodrugs. Correlations between experimental and calculated data were used to verify and ensure that the final results could be used.

Author(S) Detalis

Rehab Majed Kubba
Department of Chemistry, College of Science, University of Baghdad, Baghdad, Iraq.

View Book:- https://stm.bookpi.org/AQMCSCVFCIP/article/view/3822

Hypothesis of Quantum Gravity| Chapter 5| Newest Updates in Physical Science Research Vol. 12

 I was inspired to write this article after reading a book by Prof. Geraint Lewis and Dr. Luke Barnes about how to undo astronomy's Big Bang. Since attending several astrophysics courses at Australian National University a year before, I'd had a strong urge to do this (they were conducted by Professors Brian Schmidt and Paul Francis). I found the Lewis/Barnes book to be an excellent resource, and I supplemented it with my own thoughts on Mobius strips, Figure-8 Klein bottles, and Wick rotation.This hypothesis is based on my belief that science will one day prove that everything in space and time is connected. "If everything in the universe depends on everything else in a fundamental way," Stephen Hawking wrote in "A Brief History of Time," "it might be impossible to get close to a full solution (of the universe's puzzles) by investigating parts of the problem (such as general relativity and quantum mechanics) in isolation."The idea is to create a "proof of concept" that may then be supplemented by equations. It has been determined that the Steady State, Big Bang, Inflation, and Multiverse theories all fail in the end, and that a topological model incorporating bits (binary digits), Mobius strips, Figure-8 Klein bottles, and Wick rotation performs better. The failing cosmologies all have compelling arguments, leading to the conclusion that they're all vital stepping stones. The Big Bang, for example, is seen as a breach of the 1st Law of Thermodynamics, yetBits moving between 1 and 0 are evocative of the alleged origin from quantum fluctuations. Dark matter, dark energy, and electromagneticgravitational union could all be explained by the topological hypothesis. Finally, the paper discusses vector-tensor-scalar geometry, as well as expansions of Einstein's and Maxwell's theories of gravity and electromagnetism.

Author (S) Details

Rodney Bartlett
Australian National University, Queensland University of Technology, Australia.

View Book :-https://stm.bookpi.org/NUPSR-V12/article/view/2634