Density homogenization in Multiscale modelling?

Hello, For now, I am following the integrated technique to derive the mass from the smaller scale (microstructure). Is there any better approach to get the mass of a given macro-structure from...

16 January 2021 4,792 1 View

Berry phase calculations using quantum espresso?

Im new to quantum espresso and i wanted to detect the d33 value of a pervoskite crystal. Apart from this I would be nice to obtain the PE loop also. can anyone share the input files for such a...

14 September 2020 6,590 2 View

Is it possible to reuse Toluene after PAH Extraction with soxhlet?

In my lab, we are using Toluene for extraction of PAH from biochar (byproduct of pyrolysis). There are numerous samples to measure. Therefore, to make it economic can we distill toluene from the...

03 September 2020 6,111 5 View

Regarding metagenomic contamination?

We have lab established culture setup of marine synechococcus PCC 7002 sp. and heterotrophic bacteria. Recently we did metagenomic analysis of it (sequencing was done by an outside reputed...

12 August 2020 187 11 View

How can I remove DMSO and DMF from the quantum dot solution?

I have prepared quantum dots using the solvents DMSO and DMF and now I need to dry out these solvents completely without damaging the structure of the quantum dots. Kindly suggest some methods.

06 August 2020 4,890 1 View

How to find complete protein sequences (not partial) from NCBI database?

I want to generate a custom database of translated proteins involved in a particular process and then blast them against my predicted protein sequences from the metagenome . I have downloaded all...

12 July 2020 2,651 1 View

What is the physical significance of order (q) when calculating the Information entropy?

In information theory, the entropy of a variable is the amount of information contained in the variable. One way to understand the concept of the amount of information is to tie it to how...

01 May 2020 6,703 6 View

How to identify a particular gene/gene cluster of interest from a sequenced genome?

We have sequenced Synechococcus sp. PCC 7002 genome. Already the same strain has been sequenced and annotated by many before. Whole-genome map is also available online. The gene of interest is...

17 March 2020 898 12 View

Two different gaussian width in QM/MM Metadynamics?

Is it wise to use two different gaussians for two CVs during QM/MM metadynamics simulations?. Example for 0.5kcal/mol Gaussian height, For CV1 width is 0.3 and CV2 is 0.15. Where both CVs address...

10 March 2020 5,287 3 View

'What do people in low resource settings want from their healthcare?' - Appropriate journal to submit my thesis for publishing?

I am looking to publish my masters(in Public health) thesis. I am wondering what would be an appropriate journal to submit the results. It is a qualitative research done in the slums and villages...

03 March 2020 5,880 3 View

How two melting peaks in DSC of polypropylene can be merged into one crystallization peak?

The figure shows DSC cooling (blue) and 2nd heating (green) curves (step: 10 K/min) for a commercial sample supplied as Atactic Polypropylene (APP). The heating curve illustrates two major...

03 March 2021 5,857 3 View

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01 March 2021 3,905 5 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

What test should I use to compare two or three means, if data is not normally distributed but sample size is > 30 in each group?

I personally feel this as a most confusing question. As per my understanding, if sample size is > 30, and sample is skewed, we can still use paramteric approach, as it will follow Z...

01 March 2021 1,587 6 View

What do I do with DLS peaks that are from the buffer?

I'm looking at the aggregation of my protein sample using DLS. Unfortunately, my buffer (20mM HEPES) also results in a set of peaks. These are at approximately 1 and 1000 d.nm. The lowest peak...

01 March 2021 9,015 2 View

What information can be had from raman at higher wavenumber?

i have recorded raman spectra of strontium oxide thin film. the spectra were recorded in the range 400 to 4000 cm-1. i have reference to peaks upto 1000cm-1. but i couldn't find literature for...

26 February 2021 2,499 1 View

Can anyone share his experience regards Smoothing in origin?

I am working on TiO2 composite material and the results of XRD have a lot of small/junk peaks and while I apply a smooth filter in Origin then the other characteristics peaks disappear so anyone...

26 February 2021 8,183 3 View

How can I find a Raman spectrum wavenumber corresponding to what compound?

I have several Raman spectra with very distinct peaks at certain wavenumbers, such as 277, 359, 466, 583, 623, 686, and 795cm-1. How can I identify them to what compound(s)? The RRUFF and others...

24 February 2021 363 3 View

Sample size determination for non-parametric tests?

How do I run a a priori sample size determination for non-parametric tests, like the Mann-Whitney U-test and the Kruskall-Wallis or other non-parametric tests that accord with the unpaired t-test...

24 February 2021 166 6 View

How to determine a priori sample size for t-test with unequal means?

I need to conduct a a priori sample size determinations for t-test with unequal means, but I don't know the sizes of the groups nor the ratio of both groups... Can I do a sample size determination...

24 February 2021 8,289 3 View