Best synthesis method for large scale silver nanoparticle synthesis with high yield?.Best post processing steps after nanoparticle synthesis?

I have chemically synthesized silver nanoparticle to combat microbes on wound site. I have used many methods of synthesis, but I found minimal field of silver NP product.I am getting whitish...

11 February 2021 4,964 13 View

Is ANOVA or Kruskal-Wallis applicable to test the group means, if each group has ca. 40 samples, but each sample is derived from 1024 sub-samples?

Dear Scholar Fellows, I would be interested in your opinion whether an ANOVA test (or Kruskal-Wallis-test) can be applicable in the following situation: a) 8 laps are driven on a test track,...

17 August 2020 887 3 View

What is the major difference between analyzing the elemental composition of fish otolith using EDS and ICPMS or ICPOES?

Here, I mean the accuracy and the major differences.

23 February 2020 5,798 8 View

No title

12 February 2020 4,692 5 View

Is thermogravimetric analysis (TGA) a good method to identify the weight percent of inorganic compounds in a sample (contains organic compounds too)?

The sample is Diesel Exhaust Particle, it contains both organic and inorganic components. The organic components include PAH, aliphatic hydrocarbons. The inorganic components include metals and...

20 January 2020 2,313 5 View

Can XRF analysis be used for identifying organic compounds (example: hydrocarbons) in a sample?

More specifically, diesel exhaust particle is the sample.

05 January 2020 7,950 5 View

What is photosensitizer and photocatalyst are they same concept or different ?

The material like tris bipyridyl ruthenium trichloride II [Ru(bipy)3]Cl2 or dyes such as rose bengal,eosin are photocatalyst or photosensitizers?

27 December 2019 7,061 4 View

What is difference between classical semiconducting nanocomposites as a photocatalyst and organic dye based photocatalyst ?

Are the concept of valence band and conduction band applies for the dye based photocatalyst like semiconductor based material if it is then how?

27 December 2019 3,464 3 View

Can Spodoptera litura eggs be preserved?

How long can we preserve Spodoptera litura eggs in refrigeration without opting for cryopreservation. What are the conditions to look out for?? Can they be stored indefinitely in refrigeration?...

03 October 2019 6,403 2 View

Where is the sensor data file loacated in rpl protocol code in contiki os ?

where is the sensor data file loacated in rpl protocol code in contiki os ?

18 June 2019 9,487 2 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

How can I calculate the rdf of water molecules around 'Na' ions that are closest(adsorbed) to the nanoparticle(solute)?

Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...

28 February 2021 5,650 1 View

How can I assign a velocity along one direction to CO2 molecules in a molecular dynamics simulation using GROMACS?

Dear all, I am trying to perform a MD simulation about the interaction between CO2 and a polymer. I create my model, solvate it and perform the NVT and NPT equilibration. Now I am not able to...

26 February 2021 10,014 3 View

How does GROMACS calculate the average structure of proteins?

I want to get a average structure from a pdb file containing multiple models. I used the command below: gmx cluster -f input.pdb -s topol.tpr -cutoff 20 -method gromos -av GROMACS...

25 February 2021 6,314 1 View

How to identify or create correct list from GROMACS options during analysis of trajectory ?

During topology preparation using pdb2gmx Protein_chain_A and Protein_chain_B were identified. However, when production MD was completed and I proceeded to do analysis, I find this list : Group...

23 February 2021 5,065 8 View

How to construct different filler shape in MD simulations?

Is there any way to construct different initial filler shapes like triangle, square, rectangle, pillar, and tube in any simulation software.

20 February 2021 1,750 1 View

How to include additional force field in GROMACS?

I have a cellulose model system that is best described by the GLYCAM06 force field according to the literature. However, the set of force fields included in the GROMACS package doesn't include the...

20 February 2021 3,309 3 View

Problem in energy minimization using Gromacs?

I have done energy minimization of DNA using Gromacs with tutorial lysozyme in water. The potential energy curve show a steep drop.

18 February 2021 4,822 2 View

RDF calculation of water inside the Carbon nanotubes?

I am trying to calculate the rdf of water molecules present inside the Carbon nanotube. I tried to do the indexing first using gromacs tool gmx selection. But when it comes to calculating rdf, I...

17 February 2021 1,066 3 View

How to obtain parameters to run a simulation for benzene using CHARMM forcefield in GROMACS?

I have been reading this paper Soft Matter, 2017, 13, 1904 and in this paper, they simulate benzene in GROMACS using CHARMM. They mention that they performed simulations of benzene using the...

15 February 2021 5,561 3 View