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 506 4 View

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

01 February 2016 5,982 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 1,383 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 7,477 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 1,554 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 6,217 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 2,459 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 4,717 10 View

Can't spin-orbit coupling(SOC) be included in optical properties calculation in CASTEP?

I am currently using CASTEP version 2020. When I want to run optical properties calculations with spin-orbit coupling(SOC), I encounter the following error in a pop-up window before the job gets...

02 August 2024 2,890 0 View

Is the mentioned CV graph a valid one as this graph have only one peak prominent (reduction)?

I have used Prussian blue nanoparticles as a redox couple. The PBNPs have been made using only one salt precursor. Also, during scan rate studies, a small oxidation peak can be consistently found...

31 July 2024 9,697 0 View

How to separate the stereoisomers compond in reaction mixture?

how to separate the organic reaction stereo isomers compounds are separate from the reaction mixture any simple methods are available

23 July 2024 8,025 4 View

I want to buy Hydrothermal Synthesis Autoclave from any European company. Can anyone suggest any company inside Europe?

Thanks

22 July 2024 1,143 3 View

Hi dear researchers, do you suggest the best and shortest path for chemical synthesis and green synthesis of magnetite(Fe3O4)?

Suggest the best and shortest route for the chemical synthesis and and green synthesis of magnetite(Fe3O4) The chemical synthesis should contain the least dangerous chemicals along with full...

21 July 2024 2,476 2 View

Im trying iodination of an arene, but only getting black precipitates, is there anyone with iodination experience who can advise?

Organic Synthesis. My student has been trying iodination of arenes (our goal is to iodinate p-phenylenediamine) following these literature procedures: 1. Synthesis 2004, No. 11, 1869-1873 using...

16 July 2024 6,630 1 View

What could be the possible reason that sintering of polycrystalline diamond fabricated with tape casting has suddenly started failing?

I make polycrystalline diamond with tape casting followed by HPHT sintering. When i sintered the samples up till May, the sintering was good. When i sintered the samples in June and July at the...

16 July 2024 3,212 5 View

How to draw photon-magnon coupling color plot in origin?

Please help me in plotting the photon-magnon coupling plot as shown below

14 July 2024 1,632 1 View

Why is my HPRT1 housekeeping gene not coming at same Ct in qPCR?

I am doing qPCR but my HPRT1 Ct is not coming at the same point. I see a 2 cycle spread in Ct. I have checked my RNA quality A260/280, 230/280 values, did ethidium bromide gel. I used superscript...

04 July 2024 5,605 3 View

How to solve the question of ansys fluent?

Regarding the system coupling issue where the update of the solution component fails, the system coupling update for fluid flow (Fluent) triggered an exception: "Update Solution Failed."

30 June 2024 7,894 1 View