How to get the completely desolved solution of sodium Seleniosulfide (Na2SeSO3)? How much amount of residue should remain during refluxing?

04 May 2023 0 5K Report

What are the the required conditions to get sodium selenosulphite without any residue? How the final dissolved solution look like?

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What is difference among dopig,composite and alloying? What is clear cut boundery between them? Is alloying is possible in a DFT?

Is it feasible, for example, to alloy two compounds, say FeAs and CdTe, for computational purposes? I'm looking for ideas.

01 April 2023 2,947 2 View

How to keep the geometry of doped structures during vc-relaxation in quantum espresso?

I doped the certain structure and calculated the vc-relax, then I got certain atoms in the structure are missed after vc-relaxation. How to overcome this problem, any one help me?

27 January 2023 3,484 2 View

How to enable epw.x to read the charge density file?

I was repeating epw examples provided at EPW software page by job script in a sbatch system. But I faced a serious error as follow. How to fix this error?. I really wonder if some one has an idea...

27 November 2022 4,665 1 View

Which parameters in an input file determines the accuracy of superconductivity Tc and electron-phonon coupling strength, lambda?

Here I am trying to calculate the Tc of material and electron-phonon coupling strength, but the Tc and lambda previously calculated are 14.1K and 1.1 respectively. So which parameters do I have...

23 November 2022 716 2 View

How to interpret spin-polarized band structure plot for materials ?

I calculated the spin-polarized band structure of the material as in fig below. But is material metallic? half-metallic or semiconductor from the graph? Is that possible to predict something about...

06 October 2022 4,372 3 View

Why the graph of phonon calculated Quantum espresso and ploted by xmgrace exihibts kinks?

I calculated phonon by quantum espresso and plotted via xmgrace, my graph exhibits kink corners instead of smooth. What will be the consequence?

16 June 2022 6,214 2 View

My question is just Ferrimagnetisim in Materials: How to determine the properties of ferrimagnetisim based on out puts from Quantum espresso?

We know that, It is possible to decide which orientation is favorable (among ferromagnetism and antiferromagnetism)from quantum espresso outputs. But in actual situations materials can also be...

01 January 1970 9,949 2 View

How to analyze multiple phosphorilation sites?

Hello, I am currently analyzing some phosphoproteomics data, but I have peptides with multiple phosphorylation sites or phosphorylations together with carbamidomethylation or oxidation. How can I...

04 August 2024 8,432 3 View

Normality assumption for linear regression is The assumption of normality is whether for residual errors or predictor variavble?

When we conduct linear regression, there are several assumptions. The assumption of normality is whether the residual errors are normally distributed, not whether a predictor is normal?

31 July 2024 6,164 3 View

Is it possible to dock more than one drug in the same active site or pocket of a protein to study synergistic/antagonistic/additive properties?

I wanted to know whether we can observe the synergistic/antagonistic/additive properties of combinations or mixtures of compounds through docking analysis. But during docking preparation any...

28 July 2024 7,413 6 View

How apply Kao Residual Cointegration Test in eviews?

Kao's panel cointegration tests , is there anyone willing to explain me the eviews-9 output for the Kao's panel cointegration tests?

23 July 2024 5,051 4 View

Sodium azide in immunohistochemistry?

Hello everyone, A collaborator sent us his protocol in order to be able to use his immunohistochemistry kits. But one step contains PBS + 0.3% H2O2 + 0.1% sodium azide. Knowing the dangerousness...

23 July 2024 6,314 3 View

When you express a protein, why do we express not only the domain we want, but also the protein around it?

I want to express STK4, and I've searched the paper for reference. When I check the protein kinase domain sequence for that kinase on Uniprot, it's 30-281, but the paper expresses the protein...

20 July 2024 4,951 1 View

Printing residues in an object in Pymol?

Hi! I am currently working on a protein where I have selected residues within 10A of its bound ligand in pymol. However, I can not find a way to print out what residues are contained in that group...

15 July 2024 1,727 1 View

How do I prepare a working stock solution of 14C sodium bicarbonate to get a final activity of 3uCi?

I need to make a stock solution for radioisotopic incubations of freshwater sediments to study dark primary productivity but I have some confusion as to how I calculate the concentration of 14C...

15 July 2024 5,898 0 View

How do I identify And count the number of active sites of an adsorbent?

Jarosite is obtained from bioleaching residue and I want to determine if there are increased active sites biogenic jarosite compared to chemical synthetic jarosite.

10 July 2024 8,132 2 View

Validated HPLC method for the estimation of the Amphotericin B ?

During the release test of Amphotericin B using 1% Tween 80, i observed three peaks even in the standard. The first peak consistently yielded results around 500%, while the other peaks showed...

08 July 2024 1,330 0 View