Why it is required to optimize a unit cell generated from cif lattice parameters and atomic coordinates during ab initio solid state calculations?

A cif file represents a unit cell with minimum energy. My question is, in the start of any ab initio calculation for unit cell generated from the cif file, why we are advised to optimize cell...

19 January 2021 9,883 3 View

How to calculate IR and RAMAN spectra form Born charge ?

I am using crystal 17 for my solid state ab initio calculations. For some reason the program is not able to produce the Raman spectra but have generated born charges. Is there any way to produce...

11 January 2021 2,317 2 View

Can someone help me with the error in crystal17 output ?

I am a new user to crystal 17 (https://www.crystal.unito.it/index.php). I was trying to optimize a molecule using crystal17 but it is throwing following error: "ERROR **** INPUT3 **** n-D...

19 October 2020 5,211 2 View

Can you suggest any book to learn material simulation via density functional theory?

I am new to material simulation and I am willing to learn the theoretical aspects like what is k point mesh, how to interpret band diagram, how born charge results in IR spectra etc. I have...

29 August 2020 1,173 8 View

How to prove the accuracy of a fuzzy control system?

Hi, I have developed a fuzzy control system that produces an overall accuracy of 90.5% and I want to be able to prove that the fuzzy rule base was not tuned specifically for the data set in order...

09 April 2019 6,090 6 View

What are the boundary conditions required for the Fabry-Perot Cavity 3D model in COMSOL Multiphysics?

I want to model Fabry-Perot Cavity in COMSOL Multiphysics. 2D model is easy to make. I am willing to make a 3D model of Fabry-Perot Cavity.

17 March 2019 6,725 3 View

How to contruct a 3tesla MRI Coil using CST Studio Suite?

I want to model a 3Tesla Magnetic Resonance Imaging Coil for simulation. How to contruct MRI Coil. What are the modlues or template I need for this?

14 February 2018 8,555 2 View

Can someone show me a method for estimating fungal hyphae coverage?

I am looking for a protocol to estimate the density of fungal biomass given an image from microscopy. A colleague described a method that involved point-intercept line sampling, but I have been...

04 October 2017 3,390 2 View

ASME B & PV Section VIII Division 2 Annex 3-D: Why is plastic strain appearing even under the yield stress, and how to rectify/ account for it?

While calculating the stress-strain curves for SS 304L at elevated temperature (upto 500 C) as per the curve fitting schemes given in ASME B & PV Section VIII Division 2 Annex 3-D, the plastic...

21 February 2016 8,778 4 View

How do the magnetic properties of nanostructures depend on sample preparation mechanisms?

How the magnetic Properties of Nanostructures depends on sample preparation mechanism?

04 January 2015 1,005 2 View

Can we classify HV and LV lines based on line length?

I have dataset which shows the length of power lines. I need to classify the lines based on the line length. Is there a rule to classify the High voltage (HV) and low voltage (LV) lines based on...

03 March 2021 4,116 4 View

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02 March 2021 3,060 3 View

Does anyone have a recommendation for yeast reporter gene plasmid/protocol?

Hi, could anyone recommend a plasmid and/or protocol for reporter gene assay in S. cerevisiae? I want to assess the effect of growth conditions on a transcription factor, so I want to clone it`s...

01 March 2021 210 1 View

Issues with Permeabilization during Flow Cytometry?

Hello Everyone. Currently I am working to characterize macrophages in the myocardium after ischemia-reperfusion injury in rats. Due to the low total cell number isolated from rat hearts I can...

01 March 2021 3,867 3 View

Which cell line should we use to perform biological dosimetry experiments?

We are preparing some experiments based on irradiating cells under different conditions in order to evaluate the effects in terms of DNA damage, genetic expression, etc. As our project is...

01 March 2021 3,355 3 View

Why might my GFP tag be dissociating from my plasmid after transfection?

I have a set of stably transfected cell lines all transfected with plasmids containing GFP tags on the C terminus. During a western blot using anti-GFP antibody, one of my plasmids has dissociated...

01 March 2021 9,310 4 View

Is it possible for two human neuronal cell lines to have different gene sequence for the same protein?

I am looking at the ATP1A2 (Sodium/Potassium ATPase alpha subunit 2) in two human neuronal cell lines. Expression levels of this protein seems to be almost equal when detected by one antibody....

01 March 2021 3,607 3 View

Can someone suggest a way to prepare slides to observe under confocal microscope for observing fluorescent tagged proteins??

I am growing the cells on coverslips and transfecting the fluorescent tagged protein directly on them. Then i want to observe these cells under confocal microscope. Currently i am just using...

01 March 2021 6,142 3 View

Is CD44 degraded in lysosome together with hyaluronan after CD44 mediated endocytosis of hyaluronic acid?

Also when RHAMM binds hyaluronic acid, they get internalized, will RHAMM also be degraded? Or both CD44 and RHAMM will be transferred back to the cell membrane? Asking for breast cancer cell line...

01 March 2021 8,169 2 View

Expression cloning by using cDNA,do I need to modify the cDNA first?

I am going to have a expression cloning of mammalian gene by using shuttle plasmid to transforming the E.coli However I don't know I should only inserting the Coding sequence ,or I can...

28 February 2021 5,440 3 View