No title

03 March 2021 5,360 2 View

Why are spectrophotometric absorbance values much higher than the initial value after electrochemical oxidation of organic matter?

After electrooxidation of an organic material, I get an excessive increase in absorbance values in wavelength scanning. What could be the reason for this? Can Radical formation cause...

20 January 2021 3,156 3 View

What are the political factors affecting curriculum design at the primary level in Pakistan?

This Topic I chose for my Thesis in Final Year of my Master's. I am in process of it's completion but need more suggestions and comments for the Topic to elaborate.

14 December 2020 356 3 View

What is the optimal dose of tamoxifen by oral gavage in adult mice?

I am using a Cre-ERT mouse model and giving mice tamoxifen by oral gavage at 8 weeks of age. 1 dose of 6 mg of tamoxifen does not generate enough Cre activity. Does anyone have any recommendations...

17 October 2020 5,034 2 View

What should be the dimension of the composite specimens which has 10 mm thickness according to ASTM Standards?

I have carbon fiber composite specimens and wonder about the dimensions of the specimens which are 25 mm wide, 250 mm long and 10 mm thickness is compatible with the ASTM D3039 Tensile test...

08 October 2020 1,261 4 View

Optimum conditions for Cell cycle analysis via flow cytometry?

I want to ask about the RNAse treatment for the cell cycle. What should be the ideal conditions during RNAse treatment i.e. Incubation period, temperature, time or either it should be placed in 5%...

15 March 2020 2,227 5 View

Whay band gap of MoS2 reduced after TM doping?

I have doped Cr, Mn, Co, Ni and Cu in bilayer MoS2 but the band gap reduces after Cr and Mn doping, and other three elements (Co, Ni and Cu) convert the semiconductor into metal. can anybody tell...

08 July 2019 3,025 4 View

How to do Bland Altman Plot in measurement pairs in SPSS or Excel?

Hi all, Although I watched all the videos about Bland Altman plot in SPSS, I could not find any information regarding how to use this statistics in multiple replicates for each method. Hope...

13 September 2018 9,359 14 View

Can anybody provide protocol for the lipase inhibition assay using olive oil ?

I am using lipase of aspergillus niger for lipase inhibiton assay against some molecules. using substrate olive oil. Kindly if anybody have protocol? Thanks

12 February 2018 3,962 3 View

Is we use same slides for scanning electron microscope that has been used for histology???? if yes than either it needs any processing if yes how?????

I have prepared slides for histological studies. I want to do SEM for that specimens. Can same slides would be used after some treatments???? If yes what kind of treatment should I use for this....

19 November 2017 1,598 3 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 resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 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

How to calculate the Atomic Polar Tensor using DFT ?

Dear friends, I am a beginner at DFT calculation. I have done a structure optimization using DFT- B3LYP/6-31G*, Nevertheless, I don't know How to calculate the Atomic Polar Tensor (APT) in...

17 February 2021 9,082 3 View