How to know if Zinc Oxide is coated on the glass substrates?

Hello all I have prepared Zinc Oxide nanoparticles using sol gel synthesis. I tried to coat the ITO and glass substrates with the ZnO nanoparticles ( dispersed in ethanol). But I am not sure if...

08 December 2020 3,692 8 View

Which PEIE to use?

Hello all Thanks for answering my previous questions. I am making perovskite LED and intend to use PEIE on zinc oxide layer as ETL. But I am not sure what version of PEIE to us. There is the one...

08 November 2020 5,710 3 View

Zno NPs seperation?

Thanks a lot for your answers. I have one more question: after synthesizing ZnO nanoparticles , I am not able to separate from the original solution (dispersion actually). The recipe is as...

23 October 2020 9,857 8 View

How to do PBABr synthesis?

I am following this recipe for PBABr synthesis. I added HBr (48 wt % in H2O) to Methanol and PBA solution at 0 degrees celsius. But after 2 hours of stirring I am not able to see precipitates. I...

08 October 2020 6,485 4 View

ZnO and PBABr synthesis?

Hello all, I want to synthesize ZnO nanoparticles and PBABr in my lab for my LED project. I know the method, but I am not sure how can I check(even visually) that I have arrived at the correct...

27 September 2020 5,334 7 View

MoO3 RF Sputtering?

Hello all, I have to do RF sputtering for MoO3 for my LED project. But I have come across many recipes for reactive RF sputtering of MoO3 ,using Mo as a target and Oxygen as the reactive gas But...

16 September 2020 5,222 2 View

How teachers are engaging their students at the time of COVID-19?

Most of the countries are still not opened the school, college and universities because of COVID-19. It is spreading rapidly. In such situation, what are the roles playing by teachers/lecturers to...

14 July 2020 5,998 30 View

Can we define the external quantum efficiency as the (number of photons emitted/ electrons injected) for n LED device?

I have come across the definition for EQE as the number of radiative recombination events out of the total number of recombination events in the LED. But is it safe to say that EQE = number of...

07 July 2020 3,023 1 View

How to obtain corrected PL spectrum?

Hello all, I am intending to measure the PL spectra for my perovskite samples. How can we obtain a corrected PL spectra in the spectrometer, independent of the photoresponsivity of the silicon...

29 June 2020 7,298 5 View

Cordycepin therapeutic potential to combat Covid virus disease ?

28 April 2020 2,943 2 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

How long does it take to design and validate transition state analogue inhibitors?

Hi, I'm asking from the point of view of designing a research plan: How long (approximately) can it take to determine the transition state structure of an enzyme substrate using kinetic isotope...

14 February 2021 2,610 1 View

How to check if the PMF profile obtained from ABF simulation is correct?

I am doing ABF simulations to calculate ligand binding enegy. The PMF profile that I get using single long ABF simulation is attached as pmf_total.png. When I do this ABF calculation with 10...

10 February 2021 4,170 2 View

Ligands with 3,4,5-trihydroxyphenyl group?

Hi In the design of a bidentate ligand with imine group, is it okay to have a 3,4,5-trihydroxyphenyl group in the structure? In other words, does the 3,4,5-trihydroxyphenyl group compete with...

08 February 2021 4,977 7 View

Is there any difference between "SEP" as a non standard residue and phohophorylated serine?

I am trying to run a molecular dynamics simulation for a ligand that contains a "SEP" residue. also, I am preparing my files using Charmm-GUI using charmm36 ff, but it says that it will rename my...

31 January 2021 6,321 1 View

How do you get around this AutoDock Vina error?

I get the following error messages after running the simulation: Sorry, there are no Gasteiger parameters available for atom ligandx.ligand:A:lig1:O7 AutoDock Vina ligand docking initiated for...

26 January 2021 3,822 3 View

Best tool to build missing residues, minimize and validate a ligand model?

I am working on a ligand that is co-crystalized to parotein, but the ligand is missing some residues that makes it appear as if it was separated into two ligands! what I need is to connect them...

23 January 2021 3,975 7 View

Can anyone suggest me solution to fix the following problem?

i am working with MD simulations. i am facing error from CGenff server while predicting topology for my ligand file ligand_fix.mol2. error= "readmol2 warning: unrecognized element "Du"readmol2...

21 January 2021 8,290 7 View

Can anyone helps me with Autodock 4.2 scripts error ?

After opening the file, I operate command "Script" --> "Ligand Interactions" --> "Show Ligand Binding Site Atoms" and the warning appears as "This script displays ligands and surrounding...

15 January 2021 5,360 1 View

How to generate topology file for ligand for Gromacs?

Dear all, I converted a PDB file into Mol2 file using Openbabel (H added) and then fixed the bond order number using this command: perl sort_mol2_bonds.pl jz4.mol2 jz4_fix.mol2 When I try to...

22 December 2020 303 4 View