The publication of this special issue is a special pleasure for me since I have been carrying out research on the periodic system of the elements for some years. Whereas many readers may have first become intrigued by chemistry after seeing some striking demonstration in their childhood, or by playing around with a chemistry set, others like myself may have been taken by the elegance and comple...

vahid khakyzadeh was born in hamedan, iran. he received his b.s. degree (pure chemistry) and m.s. degree (organic chemistry) from bu-ali sina university, hamedan, iran, at 2008, 2010 respectively under supervision of professor mohammad ali zolfigol. he is currently working on his ph. d. under the supervision of professor mohammad ali zolfigol in organic chemistry. among his recent awards, vahid...

In the history of flavin (bio)chemistry the "fully reduced state" (Flred) has drawn the least attention, as compared to the oxidized state ("flavoquinone," Flox ) and the radical state ("flavosemiquinone," FI). The reason for this is to be found not so much in the realm of science, but in the psychology of scientists: Flred does not exhibit an optical spectrum as distinctive as Flox , and even ...

Using CARM (Computer Aided Reduction Method), a computer program that automates the mechanism reduction process, six different reduced chemical kinetic mechanisms for JP-8 combustion have been generated. The reduced mechanisms have been compared to detailed chemistry calculations in simple homogeneous reactor calculations. Reduced mechanisms containing 15 and 20 species were found to give good ...

The publication of this special issue is a special pleasure for me since I have been carrying out research on the periodic system of the elements for some years. Whereas many readers may have first become intrigued by chemistry after seeing some striking demonstration in their childhood, or by playing around with a chemistry set, others like myself may have been taken by the elegance and comple...

Sima Kalhor was born in Qom, Iran in1988. He received his B.Sc. in applied Chemistry (2012) from Islamic Azad University Qom and M.Sc. in Organic Chemistry (2014) at Islamic Azad University Qom, Iran. Also, she is currently working towards her Ph.D. student in Organic Chemistry (2016) under the supervision of Prof. Mohammad Ali Zolfigol. Her research interest is the synthesis, characterization ...

We propose a novel statistical learning framework for automatically and efficiently building reduced kinetic Monte Carlo (KMC) models of large-scale elementary reaction networks from data generated by a single or few molecular dynamics simulations (MD). Existing approaches for identifying species and reactions from molecular dynamics typically use bond length and duration criteria, where bond d...

According to the underlying concept of the rate-controlled constrained-equilibrium (RCCE) method, the relaxation of a complex reacting system towards the final equilibrium state is governed by a set of active and passive constraints imposed by the internal dynamics of the system, which is considerably smaller in dimension than the original sys tem. A set of 12 constraints, able to accurately mo...

To assess changes as a result of reduced acidifying deposition, water chemistry data from 68 Dutch moorland pools were collected during the periods 1983-1984 and 2000-2006. Partial recovery was observed: nitrate- and ammonium-N, sulphur and aluminium concentrations decreased, while pH and alkalinity increased. Calcium and magnesium concentrations decreased. These trends were supported by long t...

Hassan Sepehrmansourie was born in Hamedan, Iran in 1994. He received his B.Sc. in Applied Chemistry (2017) from Bu-Ali Sina University, Iran. He received his M.Sc.in Organic Chemistry (2019) under the supervision of Prof. Mohammad Ali Zolfigol. Also, He was also accepted for a Ph.D. in organic chemistry at the Bu-Ali Sina University in the same year. His research interest is t...