How to prepare an algal sample for FT-IR spectroscopy?

Can we measure the bulk composition of biomolecules present within an algal sample directly by placing its powdered form on a FT-IR spectroscopy stage? Or does it require a particular kind of...

30 January 2021 2,303 4 View

How can I compute the distribution of dipole moment as a function of the angles between the dipole vector and solid surface through Lammps command?

I want to plot the distribution curve of dipole moment as a function of angles between dipole vector and solid surface in the presence of external electric field. My system is consisting a...

17 January 2021 1,508 4 View

How to make different assay components (like salt, buffer, glycerol etc) while working with RNA substrates?

Basically, I wanted to ask if we should prepare these components in RNAse free water and use directly or should we prepare them first and then autoclave them ? If we autoclave, wont it chnage the...

04 December 2020 4,588 2 View

How to dissolve PVDF in DMAc solvent?

I need to dissolve 1.5gm of PVDF tablets (from Sigma ALdrich) in 25gm of n-n DiMethyl Acetamide (DMAc) solvent. I have stirred the solution for 2 hours using magnetic stirrer and it did not seem...

02 December 2020 1,777 3 View

Why Mrbayes does not produce .con output file?

Hi, I am using mrbayes to generate phylogenetic trees. I am using command line version of software using the command "mb file.bay". In the output, i get .t, .p and .ckp file but do not get a .con...

16 November 2020 3,339 1 View

Hello to all the eminent researchers. I need an insight of how to analyze the performance of PEM cell using machine learning?

I have a PEM cell dataset, and I want to plot the degradation curve or polarization curve using machine learning algorithms. How can I approach in this regard. I have to design an algorithm to do...

18 October 2020 7,909 2 View

Has chemistry Nobel Prize really become the biology prize ??

07 October 2020 8,119 6 View

How can I confirm that a gene is downregulated in cancer cells through PCR?

A particular gene (gene A) is reported to be downregulated in cancer cells as compared to the normal cells. How can you prove this with the help of PCR?

27 September 2020 5,292 4 View

Can anyone please enlighten me, that what are free in silico toxicity prediction software/s available for academic purpose ?

Free toxicity prediction software based on genetic algorithm and deep learning of some training dataset #toxicity #Freesoftware #insilico #Deeplearning

30 August 2020 7,950 4 View

How can I calculate the outlet concentration of a tracer injected from inlet using dpm particle tracking in Fluent?

Currently I am using dpm particle tracking in Fluent to trace some particle .After the completion of the simulation, how can I obtain the concentration versus time curve at the outlet?

28 August 2020 9,962 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

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

How to formulate Energy minimization in Molecular dynamics simulation for alloys using meam potential?

during MD simulation, the atoms are not moving as per required. The problem (as per my observation) lies in energy minimization technique. upon application of tensile strain in x or y direction,...

22 February 2021 380 5 View

Magnetismic Gravity in the universe?

MAGNETISMIC GRAVITY What is magnetism? Something magnetic has a + and - charge. If 2 + or - are pushed if + and - are pulled. But what is the main reason for this? Why does magnetism have a pull...

21 February 2021 9,538 3 View

Has anyone succeeded in capturing uranium atoms in a fullerene structure?

Additional questions are: What are the encapsulating atoms? How difficult was the process and what rates were achieved? What factors most seriously affect the economics?

20 February 2021 3,134 5 View

How to get the vector of a specific vibration mode in phonon dispersion?

For example, I have this phonon dispersion(Fig. 1), and now I would like get vector of atoms which describes TA1 in P. I know v_sim can show vibrational animation of specific mode, but I do not...

20 February 2021 4,332 4 View

What are the potential shell well and atomic solvation parameters for the boron atom?

I have a protein-ligand docking project. The ligand contains boron atoms that are not detected by Autodock software. To solve this problem, it is necessary to introduce the boron atom to...

19 February 2021 1,236 1 View

How to combine two geometries in LAMMPS ?

I am trying to simulate contact angle of water on a quartz slab using LAMMPS. I have created and equilibriated the quartz slab and the water cluster separately. Now I want to create a composite...

17 February 2021 5,884 2 View

Rdf of atoms from a COM or point in lammps or VMD?

Hello all, as I understand there isn't any straight way to get an rdf of atoms from the center of mass or a coordinate of specific atoms in lammps. I wonder if anyone know any trick or way to get...

16 February 2021 2,517 2 View

What is error #2070 in gaussian.how we do resolve it?

We want to ONIOM calculation in gaussian16. However, gaussian doesn't work. What should we do? Atom 15 layer R linked to atom 85 is also bonded to atom 161 in layer M bad...

15 February 2021 7,766 3 View