By which mechanism does potassium hyrdoxide works as an activator in the preparation of activated carbon?

Activated carbon is prepared from biomass using KOH as the activating agent. What is the possible reaction between KOH and the biomass?

14 February 2021 8,095 4 View

Should studies published in predatory journals be included in systematc reviews?

I am conducting a systematic review of intervention, and i observed that one included study could determine the statistical significance of the final meta-analysis. Problem is, that article has...

13 April 2020 922 9 View

OCR system for phonetic (IPA) symbols?

I need to convert manually annotated IPA transcriptions into digital format. Does anybody know of an OCR system able to recognise IPA symbols (even just for English phonemes)?

25 March 2020 5,982 0 View

Is it possible to read the deformation field file produced by SPM during normalization?

If (x,y,z) are the voxel coordinates of a point of the brain scan before normalization, what is its position after applying the deformation field generated during the normalization?

19 February 2020 10,004 3 View

Bibliography on the effect of soils on nectar and sap?

10 September 2019 8,922 4 View

What is the correct phenol red permeability through Caco2 monolayer?

Dear all, I am performing Caco2 permeability experiments using transwell inserts and I am using phenol red permeability assay to verify the monolayer integrity. What is the maximum phenol red...

06 March 2019 6,726 6 View

How much solvent (ethanol) would I need to extract capsaicin (and other capsaicinoids) from siling haba?

Siling haba is a variation of Capsicum annuum var longum. The capsaicin extracted will be tested against aphids to test its insecticidal properties. Someone suggested that I should use 5ml/g or 2g...

12 February 2019 1,373 3 View

How much ethanol do I need in extracting capsaicin from red bell peppers?

The capsaicin recovered will be tested against aphids.

04 February 2019 5,811 5 View

Is anyone aware of studies concerning geostatisics in the environmental field?

I'm looking for studies on environmental analysis carried out by geostatistics

16 January 2019 5,356 4 View

CVD adhesion on silicon substrates?

Dear all, I am currently trying to uniformly deposit organic semiconductor via thermal CVD at low pressure (around 10 Torr), but I sometimes get either no deposition or not homogeneous deposition...

21 October 2018 3,185 4 View

In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein?

Hi In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein? I got this error in the add-ion stage: Fatal error "./ amber99sb-ildn-HHH.ff / force...

01 March 2021 8,747 4 View

Why does the sum of reaction forces not match the force component of a Free Body Cut in Abaqus?

I am using Abaqus to simulate a plate with in-plane loading. The boundary conditions allow the right edge to move up and down, the displacements on the left edge are fixed. There is no rotation...

23 February 2021 711 3 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

I want to simulate a system containing protein and heavy metals; which force field is most reliable for this purpose?

The protein I want to simulate has multiple heavy metals. I wanted to know which force-field I should use with GROMACS to achieve this. Most importantly, do the latest updates in the force-field...

16 February 2021 2,420 1 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

Gromacs force field and water model recommended for protein hydrophobic study?

Dear All, I received a comment from reviewer about asking me selection of force field and water model. I choose OPLS-AAL and 3-point water model. They mentioned the combination of OPLS-AAL and SPC...

13 February 2021 1,364 3 View

Can anyone please suggest where I can find a reference for ReaxFF parameters for PTFE(Teflon) suitable for use in LAMMPS?

Trying to simulate a ice-PTFE interaction and am unable to find a reference which actually lists out forcefield parameters for PTFE-PTFE interactions using ReaxFF or even other force fields like...

08 February 2021 9,373 2 View

Anyone use GROMACS' pdb2gmx for Adenosine monophosphate (AMP) to use with CHARMM force field?

I am trying to use the following command in GROMACS to generate a CHARMM topology file: gmx pdb2gmx -ff charmm27 -f amp.pdb -o amp.gro -p amp.top The atom list in my pdb file (amp.pdb)...

01 February 2021 7,769 6 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

Does AMBER or CHARMM force field parameters have coarsed grained side chain parameters?

I need to coarse grain the side chain with a single atom. However, what force field parameters do I have to use. Does AMBER or CHARMM have any parameters and partial charges for coarse-grained...

31 January 2021 7,091 3 View