How to synthesis guanidin derivative by suzuki coupling ?

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I can't get a dried cpd after separation from silica column hexane ethyl acetate . Is any one has a solution?

after suzuki coupling reaction in dioxan : water, reaction cooled to room temperature, diluted with water, extracted with ethyl acetate, ethyl acetate was dried over sodium sulphate, concentrated...

01 February 2017 383 4 View

In 3D QSAR model Q2 reults is negative. what is that mean? and can I proceed?

01 February 2016 5,820 0 View

Gromacs minimization problem - Can anyone help?

I have a molecule with phosphate group which contains a -2 charge . After minimization, new bonds appeared between the O atom and phosphate groups/ How this can be corrected?

04 May 2014 1,269 6 View

How to remove clashes?

During minimization , I found an error . By visual inspection I found clashes between the ligand and the protein . How can I solve this problem? Take into consideration that the ligand and protein...

04 May 2014 7,358 6 View

How can I deprotonate tyrosine residue in GROMACS?

I need to deprotonate a specific tyrosin residue in my protein before running MD simulation using gromacs .

03 April 2014 1,429 5 View

Can anyone help with a Gromacs minimization problem?

When I ran a steep minimization this error appeared: Steepest Descents converged to machine precision in 947 steps, but did not reach the requested Fmax < 1000. Potential Energy =...

03 April 2014 6,077 7 View

How can I assess Gromacs results?

I need any source which discusses gromacs results. I performed a ptn-cplx simulation and I had bad results, so I need to ensure that results are correct. What can I do to improve the results (i.e...

03 April 2014 2,301 11 View

Can I prepare a .itp file using PRODRG then use an ATB charges to modify it?

I need to run a MD simulation using GROMACS. The ligand topology couldn't typed using GROMACS so I used PROGRG to generate it but it has a bad history in determining atoms charges. I then decided...

03 April 2014 4,601 10 View

Is it possible to do piezoelectric coupling in ANSYS-APDL or COMSOL between tapered substrate and rectangular piezoelectric patch?

How to do Piezoelectric coupling in ANSYS-APDL or COMSOL between tapered substrate and rectangular piezoelectric patch? Piezoelectric coupling between the rectangular substrate and rectangular...

02 March 2021 9,833 3 View

Ester cleavage conditions?

Hi all, I need to cleave the ester in Ethyl 2-amino-1H-imidazole-5-carboxylate to make the carboxylic acid and retrieve the product from solution to use in downstream applications of linking to...

01 March 2021 8,766 3 View

Can the problems of overfitting be solved without cross validation?

For an overfit data set the cross validation error will be much bigger than the training error. Is it true or false?

23 February 2021 3,616 2 View

Is it efficient to do liquid biopsy to investigate the gene expressions of the tumor?

To do liquid biopsy and look for specific gene expressions there are so many published papers. Thera are different protocols and procedures used to isolate circulating cell free RNA or mRNA from...

23 February 2021 7,326 5 View

Does anyone have a working Guanidine Hydrochloride purification protocol for synthesized ssRNA?

I am trying to in vitro transcribe some fluorescein labeled ssRNA. And I want to purify the ssRNA from the free NTPs and the enzymes (RNA polymerase and DNase I). Due to the characteristic of the...

18 February 2021 4,392 4 View

Any Homemade Organic Synthesis Practices?

Hi everyone, I am a teacher of Heterocycles Synthesis, Is there a home practice that you recommend for undergraduate students? A simulator would also be useful Due to the pandemic, students...

18 February 2021 2,769 4 View

How to predict the reaction pathway for electro organic synthesis?

Can anyone recommend some any software/models available that can predict substance reactivities and the reaction yield under a specific set of reaction conditions process and proposing pathways to...

17 February 2021 2,383 3 View

Has anyone encountered any problems with abm good microRNA primers for quantification of mature miRNAs?

I've been trying to quantitate mature microRNAs in 293T cells with and without 'X'. 2ug of total RNA (isolated by Trizol method) is converted to cDNA using All-in one microRNA cDNA synthesis kit...

17 February 2021 8,986 2 View

How can you tell if your organotypic slice culture is healthy ?

I'm working on organotypic cerebellar slice cultures from postnatal rats and I'm not sure how to tell if the slices are healthy at any given point. I know there should be a lot of microglial...

15 February 2021 2,830 2 View

How to measure acetic anhydride solution with 18M sulfuric acid?

I am doing research on the synthesis of paracetamol. I am preparing acetic anhydride solution with a few drops a sulfuric acid and wish to measure the pH of this solution. However my pH meter...

14 February 2021 8,699 3 View