ISSN: 1813-0410

Keywords : FORCES version


MINDO/3-FORCES Study On Some Monosubstituted Triafulvalenes. Vibrational Spectra

journal of kerbala university, Volume 5, Issue 3, Pages 421-429

The (3N-6) fundamental vibration frequencies along with their IR absorption intensities for the X-monosubstituted triafulvalene molecules , where X is H , CN, OH , NO2, NH2, CH3, and cyclopropyl , were evaluated theoretically by calculation based on the Semi- empirical MINDO/3-FORCES MO model. The assignments for each one of all of these vibrations was also, carried out. Also, a correlation of the vibration frequency values of some fundamental vibration modes , in the studied X-mono substituted triafulvalene molecules, was found.

Is lipid profile in women with polycystic ovary syndrome related to calcium or magnesium in serum?

Maha Abdul Kadhem; Safanah Muslim Shaba; Hussein Kadhem Al-Hakeim; Maitham Ghaly Yousif; J.H. Ali; Angham.J.Ali; Mahdi Hussain Meheal; Abbass Shakir Jwad; Nizar S. Al-zubaidi; Jalib A. Al-dahash; Jassim M. Jassim; Rayed N. Ali; Lena Fadhil Hamza; Duraid. K.A. AL- Taey; Mouhannd H. Naji; Samira S. Jabar; Huda H. Al-Hassnawi; Lena Fadhil Hamza; Hadi F. Al-Yasari; Majed J. Mohammed; Aayad A. Sayhood; Thaer Mahdi Madlool; Atheer H.Yas; Mohanned Hassan Ali; Mukhalad Kadom Marza; Haider Khder Lateef; Adel ateyah Al-nasrawi; Hassan mahmud mousa abu almaali; Ashour H. Dawood; Nada Jasim; Atrakchi; Sahib A. Al; Sami A. AL; Mudhaffar; Zainab Abbas H.Al-Dulaimy; Asal Ahmed Al- Jawary; Shatha Fadil Al-saidi; Sadjad A. Hemzah; Zahir Dobeas AL -Nafie; Hassanein Qassam Zeidan Al- Salami; Abdul Barry.M .Mahood; Mohammed .J.Hamezh; Hussein Sami Nagi; Ali Yasser Hafith; Shirin R. Rasul; Amer M . J . Al-Shamri

journal of kerbala university, Volume 4, Issue 4, Pages 150-157

Polycystic ovary syndrome (PCOS) is a gynaecological disease that has multiple connections with many diseases. It has been estimated that myocardial infarction is more likely in patients with PCOS. The effect of serum calcium and magnesium on the risk of heart diseases is not yet established. In this work, the lipid profile (total cholesterol TC, triglycerides TG, and very low-density lipoprotein VLDL, and high density lipoprotein HDL-C), serum magnesium, and calcium have been estimated in PCOS patients in comparing with control group. Different atherogenic ratios ((TC/HDL-C, LDL-C/HDL-C, TG/HDL-C, and Log (TG/HDL-C)) were calculated to obtain the best indicative ratios for the risk of cardiovascular diseases. The results showed that there is a significant increase (p<0.05) in TC, TG, and VLDL in PCOS patients as compared with control group. While HDL and serum calcium is decreased significantly (p<0.05) in patients group in comparing with control group. No significant change in serum magnesium and Ca/Mg ratio between both groups. There is no correlation (-0.50

Keywords

Polycystic ovary syndrome
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lipid profile
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calcium
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magnesium
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cardiovascular diseases
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متلازمة تكيس المبيض، انماط الدهون، الكالسيوم، المغنسيوم، امراض القلب والشرايين

MINDO/3-FORCES Study On Some Monosubstituted Triafulvalenes

J.H. Ali

journal of kerbala university, Volume 4, Issue 4, Pages 166-171

MINDO/3-FORCES calculations have been done after complete optimization of geometry on X-monosubstituted triafulvalene molecules , where X is CN, OH , NO2, NH2, CH3, and cyclopropyl. It was found all these substituents are stabilizing . Also, all the substituents increase the dipole moment .Geometric parameters, heats of formation, orbital energies and the electron densities are reported