Introduction of In Silico Chromatography

Molecular interaction (MI) is fundamental phenomena in nature. Chromatography is a tool to quantitatively measure the degree of molecular interactions. The qualitative explanation has been performed using solubility factors. The quantitative explanation is achieved using computational chemical calculation (In silico).

The molecular interaction forces are combination of solubility factors, and can be obtained as van der Waals, hydrogen bonding and electrostatic energy values after molecular mechanics (MM2) calculations. Simple study can be done using small molecules. The model analyses should help to quantitatively understand the chromatographic retention mechanisms. When one small molecule is replaced to a macro molecule, (chromatography model phase), we can quantitatively analyze chromatography retention time with the retention times of standard compounds.

Furthermore, when the macro molecule is a protein, we can study affinity level of proteins. In addition, the apc calculated using MOPAC program indicates the enzyme reactivity. Prediction of boiling point, dissociation constant, and albumin-drug binding affinity were demonstrated as practical applications of in silico chromatography.

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Need To Study On a New Nontoxic Material to Relieve Cytokine StormCaused By Viral Pandemics

Need To Study On a New Nontoxic Material to Relieve Cytokine StormCaused By Viral Pandemics

Is There A Role for Radiotherapy In Experimental Therapeutic DrugDevelopment

Is There A Role for Radiotherapy In Experimental Therapeutic DrugDevelopment

Biosorption of Neodymium by Selected Photoautotrophic and Heterotrophic Species

Rare earth elements (REEs) consist of the lanthanides plus yttrium and scandium. Global demand for REEs in 2015 was estimated to 210,000 tons. These elements are chemically very similar and randomly distributed in nature. Hence, their production is difficult and challenging due to many byproducts such as thorium, uranium, heavy metals and acidic waste waters.

Moreover, they can be found together in bulky rocks, so their separation is sophisticated. The classical exploitation of REE sources currently pollutes nature heavily. Due to that and the fact that around 97% of the worldwide needof REEs are provided by China, making REE-consuming industries excessively dependent on rationing and the rising world market prizes, there is a great interest in alternative and environmentally friendly methods for delivering these elements. Read more...................

Prevention of Dust Hazards Affecting Workers in Hard Coal Mines

This paper presents the results of the tests conducted with the ZWILKOP ZW-10 dust control preparation (Patent P. 394235) used in the air and water sprinkler systems at mining facilities.

The tests aimed to assess the inhalation exposure of the mining personnel to respirable/1 and inhalable2/dust fraction and to chemical agents when using ZWILKOP ZW-10 (MSDS 2013) preparation.

This publication contains the results of the measurements performed to evaluate concentrations of the hazardous chemical substances: 2-(2-butoxyethoxy)ethanol and 2-ethylhexan-1-ol, which are the components of the ZWILKOP ZW-10 preparation, and respirable1/ and inhalable2/ dust fractions at mining personnel workstations.

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Foundations of Chemical Kinetic Modeling, Reaction Models and Reactor Scale-Up

Even today, unfortunately, the industrial professional performing the design of a chemical reactor may not have the practical experience in Mathematics as well as Quantum Mechanics or Physical Chemistry to fully understand the implications of the mathematical formulism.

This is especially true of the mathematical methods used in Quantum Chemistry as well as quantum mechanics applications to the estimate of rates of chemical reactions.

Another important consideration that may be difficult during the composition of reaction models is the generation of elementary chemical reactions to explain the formation of products and most important trace components some of which may be of concern due to pollution of the environment.

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A New Optical Sensor for Selective Monitoring of Nickel Ion Based on A Hydrazone Derivative Immobilized on the Triacetyl Cellulose Membrane

A new highly selective optical sensor was prepared by de-esterification of triacetyl cellulose transparent film and chemical immobilization of 1-acenaphthoquinone 1-thiosemicarbazone (L) on it.

The absorbance variation of immobilized 1-acenaphthoquinone 1-thiosemicarbazone on hydrolyzed cellulose acetate film of upon addition of 1.5 × 10-5 mol L-1 aqueous solutions of Zn2+, Pb2+, K+, Cu2+, Ag+, Ni2 , Cd2+, Ca2+, CrO4 2-, Hg2+, Co2+, Mn2+, Cr3+, S2 O3 2-, Mg2+, Na+, Al3+, Tl+ and Fe3+ indicated a substantiality much larger variation for the Nickel ion in compare to other studied ions.

Consequently, the new hydrazone derivative L possesses a high selectivity towards this metal ion. Influences of various experimental parameters on Ni2+ sensing, including the reaction time, the solution pH and the concentration of reagents were studied.

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Advances and Changes in the Techniques of Multi- Dimensional and Comprehensive Chromatography and When Coupled with Mass Spectrometry

This review covers the principles of two dimensional gas and liquid chromatography (2DGC and 2DLC) and briefly introduces the theory accounting for the increase in separation resulting from a greater peak capacity than for the one dimensional (1D) mode.

The advance in the techniques from multi-dimensional to comprehensive chromatography is discussed. The more recent development of multi-dimensional chromatography ion mobility mass spectrometry receives a mention to highlight the added dimension of molecular size and shape (molecular collision cross section) as an enabling tool for increasing component separation and peak capacity.

Although both the techniques of 2DGC and LC are described the focus is on the environmental and food applications of 2DGC, principally when coupled to mass spectrometry, with TOFMS and HRMS as prime examples.

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Nanotechnology in Preparation of Semipermeable Polymers

Chemical engineering as a branch of engineering applies physical, chemical and life sciences with applied mathematics and economics to design large-scale processes for converting raw materials into useful forms and products. Advancement in chemical engineering helps in optimizing the industrial outputs.

Chemical Engineering Journal is an open access international peer reviewed publication that publishes recent advances on these topics. Seven research articles and a review article have been published in volume 6 issue 2 of the journal. Ahamed et al. in their research article described the synthesis of aminoguanidyl-chitosan imprinted polymers (AGCIPs) for the recovery of precious metals like gold and silver from aqueous solutions. The author found that AGCIPs are effective in absorbing gold and silver from the solutions and also the polymer can be regenerated for reusing up to five times without change in the adsorption capacity.