How delocalization energy E(2) is correlated with structure stability in NBO analysis?

Hi guys, I am doing NBO analysis of my system of interest and I m taking the highest value of E(2) from output file which supposed to give the strongest stabilization but I have few queries in...

09 October 2019 327 1 View

How to do MD simulation by varying pH of the medium for the heterocylic small compound?

Hello I want to simulate Indole which is my system of interest in different alcoholic medium of different pH.I want to use one Indole molecule in presence of 4000 solvent molecules to maintain my...

02 March 2019 1,009 3 View

How to Calculate change in dihedral with time in gromax?

Hi, I have calculated dihedral of my amino acid residue by' gmx angle -f traj_comp.xtc -n ANG.ndx -od ang2.xvg -type dihedral' but it gives intensity vs dihedral plot. I want dihedral vs time...

05 June 2018 3,573 0 View

How 4-fluoroindole and 5- fluoroindole differ energetically?

I have measured fluoresence spectra of 4-fluoroindole and 5-fluoroindole in alcoholic medium at room temperature. The fluorescence intensity of 4-fluoroindole is reduced ~100 times than that of...

01 February 2018 9,847 6 View

How to determine solvation time correlation function Cs(t) by MD simulation?

Hi, I am a novice in MD simulation. I want to calculate solvation time correlation function Cs(t) by MD simulation but I don't know the procedure.Can anybody help me ? Thanks in advance

01 February 2018 3,444 5 View

What to do when error is coming like bond length not finite in MD simulation?

in 5 ns final mdrun in MD simulation after 1.9 ns system exits & error coming like bond length not finite. I have reduced the dt from 2 fs to 1 fs in md.mdp file and 500 ps of NVT NPT...

10 November 2017 4,357 4 View

What is the reason behind the structered shape in emission maxima of some aromatic amino acids in some solvents?

06 July 2017 4,287 2 View

Is There Any Feasible Method To Test Fluorescent Compounds Other Than Fluorescence Spectrometers ??

Is There Any Feasible Method To Test The Efficiency Of Fluorescent Compounds Other Than UV Spectrometers ? Suggestions Would Be Appreciated !

02 March 2021 5,785 3 View

How to accurately quantify chitin?

Hi all, I have been working on the quantification of chitin in insect samples and feed for a while but I can notice that the quantification methods (e.g. exposure to HCl, NaOH, and weighing sample...

01 March 2021 1,843 2 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

Why does intensity drops as concentration increases?

Is there any reason for decrease in fluorescence emission intensity of HSA,BSA when increase the concentration ?

28 February 2021 3,653 4 View

Quantifying leaking DNA from bacteria - what's the secret?

Hi, all! I need to determine if my treatment causes membrane damage in bacteria (S. aureus and E. cloacae), but I cannot use a fluorescent probe such as PI and similar ones because my compound is...

24 February 2021 2,006 2 View

Did anyone perform CD107a degranulation assay without the use of inhibitors like monensin?

I am planning to perform a degranulation assay using CD107a antibody. Some resources suggest to use inhibitors like monensin to inhibit the intracellular traficking and acidification of the...

21 February 2021 6,260 3 View

What is the stability of 2 3-dihydroxyquinoxaline in acidic water?

I'm developing a UHPLC assay, and the fluorescent product is 2,3-dihydroxyquinoxaline. The reaction to produce this requires hydrochloric acid (about 1.2 M). Will storage in this acidic...

20 February 2021 5,820 4 View

Interpretation of a fluorescence Emission spectrum ?

Hello, i work with a spectrometer which only render the fluorescence emission spectrum. Until now i just found how to interpret an exitation- and emission spectrum together to generate deeper...

20 February 2021 1,291 3 View

Good day sir/ma. Please, where can I have access to equipment for conducting XRF, XRD and SEM analysis?

I'm using blast furnace slag for stabilizing subgrade soil.

17 February 2021 7,333 3 View

Fluo 3-AM in pancreatic beta-cells?

Dear all, I'm trying to understand if a molecule of my interest (capable of inducing glucose-stimulated insulin secretion) determines an increase in intracellular calcium levels in the presence of...

16 February 2021 453 2 View