Science topic
Ions - Science topic
An atom or group of atoms that have a positive or negative electric charge due to a gain (negative charge) or loss (positive charge) of one or more electrons. Atoms with a positive charge are known as CATIONS; those with a negative charge are ANIONS.
Questions related to Ions
Hello
I need to perform a docking between some metal ions and a protein, in order to study the stability of that protein before and after the metalation. Which software can be used to achieve that result? I have Vina Autodock and MOE. The last one, with which I'm more familiar, let me dock small ligands like drugs to the protein but not metals, is that normal? It doesn't recognise the metal ion as ligand.
Thank you very much
Dear Amber user,
I want to study the interactions between protein and ions. I am running a simulation with protein, ions and water and I want to save the trajectories of protein and ions.
I know there is a ntwprt command that can allow Amber to save coordinates from atom number 1 to ntwprt, but however, in the topology, the order of atoms comes from protein, waters, and then ions. I can't use this ntwprt command to save protein and ions only.
I wonder if there is a way to save these two trajectories?
Thanks for any help.
It is observed that MnO2 stores charge by means of potassium (+) ion while cobalt oxide store energy by hydroxide (-) ion while both materials are employed as cathodes in separate systems.
My objective is to find the binding affinity of divalent metal ions with polyacrylic acid (PAA) by Isothermal Titration Calorimetry. In this experiment, I need to prepare 2mM of PAA. The 2mM should be in monomer concentration terms. So, How do I calculate how much mass of polyacrylic acid do I need to measure if the average molecular weight(Mw) of choosen polyacrylic acid is 12000. If someone knows, please tell me in detail with mass calculation strategies.
I have analyzed groundwater of the middle indo-gangetic plain and detected the Na ion concentration (90 mg/L) and Cl ion (1.7 mg/L). Is it possible?
Let us take the example of Zn with Fe3+ reaction. Zn wants to oxidize and Fe3+ wants to reduce to Fe2+ with that electron. Now assume there is no cell.
1) If i simply add Fe3+ solution to Zn pellets how would the reaction proceed?
2) Do I still need to consider the Nernst Plank eqn for transport of ions in this case since there is no external voltage applied?
3) What are the constitutive equations that I need to look at trying to model this cell?
Hello everyone,
While performing MD simulations of protein - ligand complex, at the adding ions stage I am facing an error :
Fatal error:
Syntax error - File UNK_fix.itp, line 7
Last line read:
'[ atomtypes ] '
Invalid order for directive atomtypes
Well, since I've used Swissparam to write the topology file of the ligand (UNK_fix.gro) which usually uses CHARMM all atom forcefield and the protein topology I've written with the charmm36-2019.ff. Can this be a reason that I'm facing the above error?
I've also referred to other options like #include statements which I suppose are correct and the editing in topology is all done right. For reference:
; Include Position restraint file
#ifdef POSRES
#include "posre.itp"
#endif
; Include ligand topology
#include "UNK_fix.itp"
; Include water topology
#include "./charmm36-mar2019.ff/tip3p.itp"
#ifdef POSRES_WATER
; Position restraint for each water oxygen
[ position_restraints ]
; i funct fcx fcy fcz
1 1 1000 1000 1000
#endif
; Include topology for ions
#include "./charmm36-mar2019.ff/ions.itp"
[ system ]
; Name
Protein in water
[ molecules ]
; Compound #mols
Protein 1
UNK 1
SOL 24553
So, please guide me through any other suggestions which may correct this error.
Thank you in advance!
Hello everyone!
Glow discharge treatment of TEM carbon-coated grids is a commonly used routine.
Usually the grids are placed onto the cathode, and they are separated from the cathode by a glass slide and/or parafilm layer. Ion bombardment of the grids removes the contaminants and generates the free radicals, which increase the adhesion.
However, the most glow discharge manuals and application notes claim that the surface charge is NEGATIVE (unless we treat the surface with magnesium salt or use some other specific tricks). This is very confusing for me, because if the grids are placed on the cathode, it attracts the positively-charged ions, and they bring positive charge to the grids. At the same time, the grids are isolated from the cathode, and they can not get electrons to negate the positive charge of the ions.
Is it correct? If yes, then why do we say that placing the grids onto the cathode yields negative charge?
Hello
I want to know that what is the most important ion in human body?
refers to its diversity or importance of roles
please send me references i.e. book or article if possible.
thank you
The parameter of interest includes; Major ions and TROCs.
I synthesized a solution containing Cu2+ (0.5 g/l), Fe3+ (0.26 g/l) and Fe2+ (0.19 g/l) with hydrated sulphate salts and I followed iodometric method containing Starch solution (1 %wt), Na2S2O3 solution (0.1M), KSCN (1 g), KI (1 g) and NH3 and CH3COOH (at the first step of titration). Otherwise, I can’t reach the correct answer and I always calculate Cu concentration more than the 0.5 g/l. However, without Fe ions, I have reached to the answer only with 2% error. Additionally, the color of solution is completely different for these two conditions (Cu2+ with and without Fe ions). How can i measure Cu concentration at the presence of Fe ions?
I want to prepare NaClO4 electrolyte for Na ion batteries, What are the necessary calculations to consider while preparing the electrolyte batch?
Can we able to Ni-foam use as a anode substrate for Li ion Battery?
In a design I'm working on, we're thinking of removing the NaOH from a aqueous solution by using ion exchange columns. This will adsorb Na+ ions onto the resin and produce H2O. Regeneration is possible using HCl (which will produce a solution containing NaCl) or H2SO4 (which will produce a solution containing Na2SO4). Since in the same plant NaOH is used as a reactant, is there any way to recover the Na and re use it? Which is usually the most economically feasible?
Thank you in advance!
the molecular ion peak for the compound is 369 and the base peak ion is 327, other prominent ions of fragmentation are 268, 204,310 and 315
When i run my experiment using EMIM ionic liquid, the ions are moving when i apply electric field. However, when i use A336, it is not moving. Any idea why ?
Hello,
I am teaching for my first time this semester. In writing my exam, I felt pretty good about most of my questions except one.
I was wondering if anyone could provide feedback on their initial assessment of the question. My hope is that the students will use a shortcut to show that at unit activity the corrosion process still moves forward in 0.1M instead of doing a second full calculation.
Any thoughts?
1) Will pure cobalt react with 0.1M HCl? Assume a starting concentration of 1x10-12 Co2+ ions in solution. Is there an activity/concentration of Co2+ ions that will cause the reaction between 0.1MHCl and pure cobalt to stop? (40 points)
There are many factors in environmental systems that can interfere with the fluorescent properties of fluorescent substances, such as metal ions. Is it possible to design a fluorescent reagent whose fluorescence performance is not interfered by any ions?
Hi everyone,
I analyzed some samples by LC-MS/MS, and I got a pretty good peak for quantifier ion, but the peak intensity for qualifier ion is not good enough so I got "ion ratio" as outlier reason.
My standards calibration curve (in blank matrix) is quite fine and I just have this problem with my samples:
1. Can I consider these samples positive (contaminated) for these analytes?
2. How can I solve this issue and what is the reason for that?
I would be more than happy to hear your thoughts.
May I ask for some assistance regarding the sporulation of Bacillus subtilis bacteria? I am currently looking for a commercial culture medium that is suitable for this purpose, and have come across the DSM medium in my research. However, I have found that different articles suggest varying amounts of ions to be added to the medium, and I am unsure which ionic form to use and in what quantity. Any guidance or information on this matter would be greatly appreciated. Thank you.
Which type of charge carrier has greater mobility why and difference between ion mobility and diffusion coefficient?
MALDI( Matrix Assisted Laser desorption Ionization)
Matrix use in MALDI in positive mode and negative mode
The fore pressure is within the right range but the ion gauge pressure is around ten time higher than the right range when the ion transfer line is open, even though the turbo pump is running at its full speed with twice the power as normal, close to the maximum power and the temperature is approaching the upper limit too. When the ion transfer line is blocked, the fore pump pressure is within the right range and the ion gauge pressure is close to the normal range as well, with turbo pump running only at low power. The fore pumps are able to reach a few minitorr by stand alone vacuum gauge. Thank you very much
During a separate inquiry, I encountered the examination of sulfate ion concentrations. Although Spectrophotometric sulfate measurement is suitable for low concentrations between 1 mg/L and 40 mg/L, Ion-Selective Electrodes (ISEs) are highly successful in identifying sulfate ion concentrations at larger concentrations ranging from 20 g/L to 50 g/L. I would appreciate it if you could propose further techniques for this investigation. Could you kindly furnish links to videos, books, or study materials pertaining to these methodologies, if available?
In our practice, we determining Pb2+ ions through calibration curve at 238-260 nm. Unfortunately, some cases restrict such determination (nanoparticles containment, optical active nature of compound in contact with solution. Which method is the best for lead determination in another wavebands regions?
Hi i am doing work on a protein which has Cu ion in it but the bond it is making with protein are not matching the reference protein making bond with Cu ion so is there any possible to change the bond type or bond formed by my Cu ion in protein. As shown in picture one the reference protein, Cu makes 3 solid bond and one H-bond with protein but our protein, Cu is 2 solid bond and 2 H-bond. So, there any way that we can change this bond formed in our protein file and make it exact like reference protein file?
There are various hybrid devices of battery and supercapacitor, such as supercapattery and metal ion capacitor. The latter is best represented by the lithium ion capacitor (LIC) whose connection to lithium ion battery (LIB) has attracted many more attentions in recent years. There are claims that all metal ion capacitors are a type of supercapattery if one considers the definitions of these two devices. There are also recent developments of metal negatrode based supercapattery which is in some publications termed as xxx metal capacitor, e.g. Lithium metal capacitor (LMC).
Can you offer any comment or share your view on these terminological issues? I ask this question because I am editing a special issue on "Merit-hybridisation: Supercapattery, ion-capacitor and advanced energy stores" for the Journal of Solid State Electrochemistry. The webpage of this special issue is given below.
Do you know that any reducing agent will not produce any cations or anions in the solution after reducing metal ions (such as Fe3+)?
Hi All,
I'm trying to characterize calcium concentration in alginate hydrogel, ideally in 3D... is there any good approach to do this?
If not, how about for any ion in the hydrogel that were crosslinked by itself?
Thank you!
Cu2+ (3d9) has an unpaired electron, so it is a magnetic ion. Now in the YBCO superconductor, how will this affect superconductivity?
I try to analyse if the presence of polymers in a cellulose film may affect properties such as the remove capacity of ions. Moreover, I want to know if the polymer layer over the film can hide the hydroxyl groups of the polymers, avoiding their interaction with metal ions.
I developed some polymer materials to remove cations from water. However, analyzing the properties of metal ions and the polymers I am trying to determine the best manner to differentiate the correct interaction of the polymer and metal ion.
I need a buffer for RNA studies which has both sodium and potassium ions. From some research papers I found that some labs have used MOPS-KOH buffer, but it is not available to buy when I searched for it. I hope I will get a solution from here. Thank you.
Metal ions are free in the water column, and metal ions migrate when the water freezes, so what is the form of heavy metal ions in water and ice
I have been pondering why nickel only exists as the Ni2+ ion in nature. I know that Ni+ and Ni3+ also exist, but unlike iron (Fe), Ni3+ is not nearly as common as Ni2+. So, I have investigated this and arrived at an explanation but haven't quite reached a conclusion yet.
This is how I understand it:
Nickel has an electron configuration of (Ar)4s2_3d8, and iron has (Ar)4s2_3d6.
It's easy to understand the ionization to Fe2+ and Ni2+ because the 4s2 electrons are farther from the nucleus and now easier to remove. It's also easy to comprehend that the ionization energy is higher for iron because the 3d shell in nickel has more electrons, thus shielding more against the nucleus's attractive force.
Ionizing to Fe3+ might be understandable as it might be relatively easy to remove one of iron's only paired electrons in 3d6, and I guess that 3d5 is stable because the shell is half-filled.
But why is it so challenging to ionize nickel's 3d8 to 3d7, 3d6, etc.? Is a shell with 8 electrons already stable? Or why is it so?
I hope to be able to understand this.
Whether it's possible to create a TIC (Total Ion Chromatogram) using only specific phytocompounds from High-Resolution Mass Spectrometry (HRMD) data?
I have been trying to get reasonably accurate values for oxidation states and ionic radii for ions in transition metal sulfide materials from their VASP outputs. I tried using the bader charge analysis code on the CHGCAR file (by summing up AECCAR0 and AECCAR2 files). The ionic radii calculated from the atomic volumes given in the AVF.dat file is not giving the radii values as expected (Au+ is larger than S2- according to the analysis). Also, kindly suggest how can I determine the oxidation states of the metal ions from the bader charges on each atom.
The present study focuses on the investigation of Cu-Cr co-substituted M-type barium hexaferrites, specifically for its potential use in lossless low-frequency applications. The research examines several aspects of these materials, including their dielectric properties, surface morphology, thermal behavior, magnetic properties, and Raman spectroscopic features. Several samples of M-type BaCuxCrxFe12-2xO19 were synthesized using a green technique that included the use of an extract derived from mentha plants. After being subjected to a temperature of 1100°C, the samples were subjected to several analytical techniques including structural analysis, thermal analysis, magnetic analysis, Raman spectroscopy, and low frequency dielectric testing. The X-ray diffraction (XRD) results revealed the presence of two distinct phases, namely the M-phase and the secondary BaFe2O4. The observed samples had a characteristic of being hard magnetic, characterized by the presence of multi-domain structures. Additionally, the use of Raman spectroscopy provided confirmation that the Fe ions had effectively substituted the Cu and Cr ions.
https://lnkd.in/dFFCTRp4
#HexaferriteResearch
#GreenSynthesis
#MagneticMaterials
Hello, I am trying to selectively detect inorganic ions in natural water (tap water, river water etc). For that I have polymer based sensor that give response to inorganic ions present in water, but I need to be able to get salt specific response, preferably differentiating Na from Ca ion. Is there any process that I can follow to treat my water so that I can trap one type of ion and pass the other type. It does not matter which one is getting trapped as long as it separating efficiently enough in ppm level of concentration. Thank you.
The main aim of this study was to examine the synthesis of Cu-Cr co-substituted M-type barium hexaferrites through a sustainable approach that involved the utilization of an extract obtained from mentha leaves. The study investigated the structural, thermal, magnetic, surface morphology, Raman spectroscopic, and dielectric properties of the materials. The objective of the study was to evaluate the appropriateness of the tested materials for applications that necessitate effective transmission with minimal signal degradation at low frequencies. The investigation's findings indicate that the replacement of iron ions with copper-chromium ions is a viable strategy, yielding desirable magnetic characteristics. The hexaferrites, characterized by a maximum saturation magnetization (Ms) of 68.99 Am2/kg and a minimum coercivity (Hc) of 0.1 T at a composition of x = 0.2, display considerable promise for diverse applications. The findings highlight the potential use of these hexaferrites in applications that operate at low frequencies.
#Hexaferrites #CuCrSubstitution
For lossless low-frequency applications, the study investigates the structural, thermal, magnetic, surface morphology, Raman spectroscopic, and dielectric properties of Cu-Cr co-substituted M-type barium hexaferrites.
The study focuses on the extraction of fresh mentha leaves from a local vegetable market in Ahmedabad, India. The leaves were cleansed, dried, and finely crushed before being mixed with distilled water. The resulting extract was then filtered using Whatman 125mm filter paper. The Fourier Transform Infrared spectra of BaCuxCrxFe12–2xO19 hexaferrites were analyzed using a simple heat treatment method. The samples showed two vibrational bands within the 400–650 cm−1 wavenumber, which correspond to the stretching vibrations of Fe-O. The absorption band (ν1-mode) signified the tetrahedral group, while the other band (ν2-mode) signified the ferrite system's distinctive bands. The FT-IR spectra showed two absorption bands, and XRD investigation revealed the formation of the M-phase along with BaFe2O4.
FESEM (Field Emission Scanning Electron Microscopy): Used to visualize the hexagonal shape of the substituted samples.
Raman Spectroscopy: Applied to analyze the successful replacement of Cu and Cr ions in place of Fe ions.
#LowFrequencyApplications #XRDanalysis #GreenSynthesis #Research #HexaFerriteSynthesis
The study explores the structural, thermal, magnetic, surface morphology, Raman spectroscopic, and dielectric properties of Cu-Cr co-substituted M-type barium hexaferrites for lossless low-frequency applications. Using a green synthesis approach with mentha leaves extract, a series of M-type BaCuxCrxFe12-2xO19 samples were synthesized. The samples were heated to 1100°C and characterized for structural, thermal, magnetic, Raman spectroscopic, and low frequency dielectric studies. XRD results revealed the formation of M-phase and secondary BaFe2O4 phase. Raman spectroscopy showed successful replacement of Cu and Cr ions with Fe ions, and the samples showed a hard magnetic nature with multi-domain structures.
#MagneticMaterials #GreenSynthesis
1. One of the main principles of supercapacitors is electric double layer building. This is the principle that a double ion layer is formed when the electrolyte is close to the electrode surface. This allows more charge to be stored in the double layer as the voltage increases, and thus more energy to be stored at a higher voltage. (Electric Double Layers)
2. As the voltage increases, the current required to charge the supercapacitor decreases, which means that the charging time decreases.
3. The higher the voltage, the faster the charge movement, so the charging time decreases.
If I = Q/t constant current Q decreases, then t also decreases.
Is this right?
The study explores the structural, thermal, magnetic, surface morphology, Raman spectroscopic, and dielectric properties of Cu-Cr co-substituted M-type barium hexaferrites for lossless low-frequency applications. Using a green synthesis approach with mentha leaves extract, a series of M-type BaCuxCrxFe12-2xO19 samples were synthesized. The samples were heated to 1100°C and characterized for structural, thermal, magnetic, Raman spectroscopic, and low frequency dielectric studies. XRD results revealed the formation of M-phase and secondary BaFe2O4 phase. Raman spectroscopy showed successful replacement of Cu and Cr ions with Fe ions, and the samples showed a hard magnetic nature with multi-domain structures.
#magneticmaterials
#greensynthesis
#hexaferriteresearch
The study explores the structural, thermal, magnetic, surface morphology, Raman spectroscopic, and dielectric properties of Cu-Cr co-substituted M-type barium hexaferrites for lossless low-frequency applications. Using a green synthesis approach with mentha leaves extract, a series of M-type BaCuxCrxFe12-2xO19 samples were synthesized. The samples were heated to 1100°C and characterized for structural, thermal, magnetic, Raman spectroscopic, and low frequency dielectric studies. XRD results revealed the formation of M-phase and secondary BaFe2O4 phase. Raman spectroscopy showed successful replacement of Cu and Cr ions with Fe ions, and the samples showed a hard magnetic nature with multi-domain structures.
#magneticmaterials
#greensynthesis
#hexaferriteresearch
Cu-Cr co-substituted M-type barium hexaferrites, synthesized through green methods, demonstrated favorable structural, thermal, magnetic, and dielectric properties. The XRD analysis revealed the formation of M-phase and a secondary BaFe2O4 phase. Raman spectroscopy confirmed successful Cu-Cr ion substitution, maintaining hexagonal morphology. The hard magnetic nature, multi-domain structures, and low-frequency characteristics, especially in the x=0.2 composition, suggest promising applications for lossless low-frequency technologies, opening avenues for practical utilization.
#MaterialScience #Research
For more exploration:
Research was conducted to find the effect of Cu and Cr substitution on various properties of barium hexaferrites synthesized in the presence of Mentha leaves extract. The samples were treated with simple heating method and thoroughly characterized for their structural, thermal, magnetic, Raman spectroscopic and low frequency dielectric study.
The results of X-Ray Diffusion finding reveal the formation of M-phase along with secondary phase of BaFe2O4. The Raman spectroscopic analysis exhibit the successful replacement of Cu and Cr ions in place of Fe ions, and the substituted samples hold the hexagonal shape as visible from Field Emission Scanning Microscopy (FESEM) images highlighting the change in surface morphology. Cole-Cole graphs show shifting of peaks position with Cu-Cr substitutions and increasing frequency, which give the insight of the role of grain and grain boundaries. All samples show hard magnetic nature and multi domain structures, and x = 0.2 composition has a maximum Ms of 68.99 Am2/kg and lowest Hc of 0.1 T.
It helps us to understand the effect of two different cations substitution on iron sites and their site preferences. Moreover, these findings open up exciting possibilities for using these hexaferrites in loss-less, and low-frequency applications.
#materialscience #greensynthesis #sitepreference #hexaferrite
Currently, I’m studying the literature on the relation between the PRAL value of food and how this affects cancer patients. Very interesting but what I cannot find is how the body mechanistically handles the acid base balance. I understand the role of proteins and phosphates but how can a higher intake of the three minerals potassium, calcium and magnesium lead to positive PRAL values and therefore alkalizes the body? It has to do with exchange of ions but is there a paper or book that explains the mechanism?
I prepared a polymer with ligand in its backbone. To get a setting polymers, I want to replace conventional crosslinker (amine-based crosslinkers) with the metal ions. Is it possible to get a setting polymer with metal ions? If it is possible, which ions that we can used? Thank you for you help.
I am using peptides on magnetic beads for the adsorption of lithium ions. In my pH study, we found that the best adsorption occurs in the neutral pH range. My question is, why does Li+ adsorption to the strongly negatively charged peptide decrease in an alkaline pH? They are oppositely charged, so they should attract each other.
One possible explanation could be the increased formation of OH- ions in a strongly alkaline medium, which may compete with Li+ ions. Alternatively, a strong, negatively charged cloud of peptides in an alkaline medium could create a hindrance shield, impeding effective adsorption.
both statements are very generic I don't have any reference for this.
It would be helpful to receive any insights or references regarding this matter.
Good morning, I'm trying to do docking with ADT for a zinc chelator having an hydroxamate group. However when I try it, the tool doesnt fit the group in the ion and I dont know why. Can anyone help me with this? I just prepare the pdb file, convert to .pdbqt and run the program..where do I mistake? Thanks anyone in advance
Determining the lithium-ion diffusion coefficient in energy storage devices, such as lithium-ion batteries, is a crucial parameter for understanding and optimizing their performance. The lithium-ion diffusion coefficient is a measure of how quickly lithium ions can move within the material, and it's often used to assess the rate capability and overall performance of the battery.
Which characterization technique utilized to find it or can we determine via theoretical evaluation?
I'm interest in MHD power generator, especially using salt water flow under transverse magnetic field.
In this paper, they assume that the e.m.f as f0=4w(B_0)(V_E) constant value independent of the hall current. However I think that if we connect the electrode, the ions are eliminated by reduction and oxidation on the electrode surface. So the removing charge effect will decrease the e.m.f value.
So I want to know my guess is reasonable and way how to get the maximum power produced by the device.
Dear all, I am looking for advice on plotting the trajectory of Li ions in a lithium-ion conductor. I have performed AIMD simulations (say for LiCoO2) in VASP and have found VMD could be a way to serve my purpose but I am unable to find steps to do it.
Please help.
Dear All,
I am trying to simulate a dimer and would like to restrain a part of it on both chains. not a problem and the error is commonşy reported. so i tried all teh suggestions but none is working as grompp is accepting one of the posres files but throws the error for the other one. my toplogy file looks like this.
---------------
; Include chain topologies
#include "topol_Protein_chain_A.itp"
;; Include CRD Position restraint file for Chain A
#ifdef POSRES_CRD_A
#include "posre_crd_chain_A.itp"
#endif
#include "topol_Protein_chain_B.itp"
; Include CRD Position restraint file for Chain B
#ifdef POSRES_CRD_B
#include "posre_crd_chain_B.itp"
#endif
#include "topol_Ion_chain_A2.itp"
#include "topol_Ion_chain_B2.itp"
#include "topol_Protein_chain_A3.itp"
#include "topol_Protein_chain_B3.itp"
; Include water topology
#include "./charmm36-jul2022.ff/spce.itp"
#ifdef POSRES_WATER
; Position restraint for each water oxygen
[ position_restraints ]
; i funct fcx fcy fcz
1 1 1000 1000 1000
#endif
; Include topology for ions
#include "./charmm36-jul2022.ff/ions.itp"
[ system ]
; Name
2 Protein in water
[ molecules ]
; Compound #mols
Protein_chain_A 1
Protein_chain_B 1
Ion_chain_A2 1
Ion_chain_B2 1
Protein_chain_A3 1
Protein_chain_B3 1
SOL 111424
NA 48
--------------------
any suggestions are appreciated.
thank you
ayesha
Hai everyone....
I have a medium with added Na2CO3 for algal growth...after somedays algal cells will utilize the Carbonate for its growth...i need to find out how much carbonate ion is consumed by algae after 15 days of growth...Any one kindly tell me the titration procedure for this...
What do experts in HiPIMS sputtering think about a possible definition of HiPIMS?
Definition:
HiPIMS is a high-power density P-DCMS sputtering process with an amount of self-sputtering of target ions, where C < Ysetm/(Yseng+Yserg) < ∞, based on a critical ionization threshold of sputtered target atoms. To reach the critical threshold the -power density (current density multiplied by the discharge voltage) at the target within the pulse has to be about one order of magnitude higher than for conventional DCMS and P-DCMS.
Yse secondary emission yields, tm means ions from the target material, ng noble gas, rg reactive gas.
Classical (traditional) DCMS and P-DCMS are low-power density processes, gas-ion dominated discharges. If Ysetm is about 0 then target-materiel ionization is almost neglectable. If Ysetm/(Yseng+Yserg) goes to infinity, then self-sustained sputtering, SS-DCMS, a high-power density DCMS as a target-ion dominated discharge is ignited.
C is a process and material specific value. C > 0 is describing the onset of LE-HiPIMS (low-energy HiPIMS). This C values have to be highlighted in future scientific investigations.
Please study the model of A. Anders: Anders et al., J. Appl. Phys. 121, 171101 (2017).
Thanks for your comments!
Take care.
J. Vetter
Hello,
I'm struggling to comprehend how the current measured in a double voltage clamp experiment corresponds to the entry of ammonium ions while investigating an ammonium transporter. Is the current primarily driven by ammonium ions, and would this current be absent without their presence? I'm seeking a clearer understanding of the origin of the current and how the transport of ammonium ions across the membrane via the transporter influences the observed current.
Thanks
I would like to try chelate natrium ions from my medium.
Hello Scholars,
I am performing compositional analysis (using ICP-OES) of electroplated Nickel with mild steel (MS) as base substrate. I want to strip Nickel from MS without contaminating the solution with Fe ions. Nitric acid can not be used as it produces iron nitrate. What solution should I use to strip Nickel?
What are the methods to perform compositional analysis of electroplated metal other than ICP-OES and XRF?
Any thought on EDS?
hello everyone,
I am doing a VASP calculation, and I encounter the error code "Error EDDDAV: Call to ZHEGV failed. Returncode = 11 1 12". I do not know how to solve it. here is my INCAR file .
Global Parameters
ISTART = 0 # 0= initialize the orbitals,1 =if wavecar file exists 2 = continuation job/restart with constant basis set
ICHARG = 2
LREAL = .FALSE. # (Projection operators: automatic)
ENCUT = 520 #(Cut-off energy for plane wave basis set, in eV)
PREC = Accurate #(Precision level: Normal or Accurate, set Accurate when perform structure lattice relaxation calculation)
LWAVE = .FALSE. #(Write WAVECAR or not)
LCHARG = .TRUE. #(Write CHGCAR or not)
!Electronic Relaxation
ISMEAR = 2 #(Gaussian smearing, metals:1)
SIGMA = 0.2 #(Smearing value in eV, metals:0.2)
NELM = 90 #(Max electronic SCF steps)
NELMIN = 6 #(Min electronic SCF steps)
EDIFF = 1E-08 #(SCF energy convergence, in eV)
!Ionic Relaxation
NSW = 1000 #(Max ionic steps)
IBRION = 2 #(Algorithm: 0-MD, 1-Quasi-New, 2-CG)
ISIF = 3 #(Stress/relaxation: 2-Ions, 3-Shape/Ions/V, 4-Shape/Ions)
EDIFFG = -2E-02 #(Ionic convergence, eV/AA)
#ISYM = 0 #(Symmetry: 0=none, 2=GGA, 3=hybrids)
ISPIN = 2
when we using the energy of batteries During discharge these ion move back to the cathode through the electrolyte releasing. But when we are not using the li-ion slowly lose their charge how and why ?
In what solvent does ammonia exist as NH3 type rather than as NH4+ ions (Except under strongly alkaline aqueous conditions.)? What can be done to increase the nucleophilic attack of NH3?
Hello everyone,
I docked the inhibitor to the metalloenzyme and the next step was the minimization of the complex. Unfortunately, during the minimization protocol, I got the error as below:
>Solvent file: XXX\bin\Windows-x64\..\..\data\water.slv
>Block specifies desired NFIELD -- accepting block
>RDSOLV: missing params for atom number 36261 (type n2) in .slv file, solvation model 3
>MINI: Error generating interactions
>Problem in minimization of distinct structures.
>Skipping input structure due to forcefield interaction errors.
>BatchMin: normal termination
The atom number 36261 is the Nickel 2+ ion. I've tried to change for the one without charge, but still the OPLSe do not operate with it.
My question is about: how to add the nickel ions to the FF with proper parameters.
Thank you!
Michal
As per the literature, NiO thin films can be etched in an RIE system using Cl2- based gas. Will there be any contamination issues if I use an RIE system dedicated to III-V group material (e.g.-GaN, GaAs)?
Any kind of suggestions would be a great help for my research work.
Thanks,
To prepare lithium battery cathode precursor material by hydrothermal method, a certain amount of nickel, manganese and cobalt metal salt with precipitant was poured into the reactor, after the process, the amount of nickel in the precursor material was lower than the amount that entered the reactor , what is the reason?
We have been optimizing the method for determination of five (5) pesticides including 2 4-dichlorophenoxyacetic acid (221.04 g/mol), Metalaxyl (279.33 g/mol), Tebuconazole (307.82 g/mol), 4,4'-Dichlorodiphenyltrichloroethane (DDT) 354.48 g·mol−1, and Cypermethrin (416.3 g/mol) using the Agilent 1100 HPLC coupled with the Waters tandem Mass spectrometry with electrospray ionization. We are using masslynx software.
For Mass spectrometry we are using the cone voltage (v) range 10-30; Source temp 80°C; desolvation temp 150°C; desolvation gas flow 650 L/hr; cone gas flow 110 L/hr; and cappilary voltage 3.0 kv.
The stock standard solution was prepared in pure Acetonitrile. For direct infusion, the working standard solution was diluted in 90:10 (HPLC water: acetonitrile). We managed to get the precursor ion and daughter ions of Tebuconazole (308.23 ►56.4, 69.4, 124.7) and Metalaxyl (280.15 ►192, 220.1, 248.1) in positive mode. But for 2 4-dichlorophenoxyacetic acid, 4,4'-Dichlorodiphenyltrichloroethane, and Cypermethrin nothing was observed.
We tried to run LC for two pesticides using a gradient method with a mobile phase composition of HPLC water with 0.1% formic acid (A) and Acetonitrile (B). The gradient was 0.00 min (50% B); 10 min (90% B); 13 min (90% B); 13.10 min (50% B) and 15 min (50% B) at a flow rate of 0.25 mL/min and 400 Bar. The good separation was observed.
For the three pesticides, the literature suggests the use of ammonium acetate. We prepared 2 mM NH4CH2COO in water and used in dilution of the three standards. It worked on Cypermethrin (in positive mode 433.12 ►104.3, 186.6, 268.6) and 2 4-dichlorophenoxyacetic acid (in negative mode 223.02 ►58.4, 94.3, 140.9,) but for 4,4'-Dichlorodiphenyltrichloroethane the precipitate formed. However, we left it.
We tried to run LC using the same gradient method with a mobile phase composition of 2 mM NH4CH2COO HPLC water with 0.1% formic acid (A) and Acetonitrile (B) for all four pesticides. There were no separation observed.
Because the Cypermethrin and 2 4-dichlorophenoxyacetic acid work in the presence of ammonium acetate, we were forced to repeat optimization of Tebuconazole and Metalaxyl with the same dilution solvent. Unfortunately, we didn’t succeed.
We tried to change the cone voltage of 5, to 35 but still no any significant precursor ion observed for the two pesticides.
Please can you assist me on how to optimize it so that the LC method can accommodate all five pesticides?
I want to perform MD Simulation of Ionic compounds in Gromacs but facing problems at various points.
One of my approaches of the work is submitting the pdb files of the cations and anions to ATB server to obtain the .itp files and Gromos 54a7.ff. I build the topology from these files.
I use packmol to pack 500 anions and cations pdb files in one box and then change them to .gro.
When I proceed to minimization with this .gro file and topolgy file, Gromacs prompt fatal error of mismatch of all the atoms in topology and .gro file.
I use charmm-gui to model the cation and anion with charmm forcefield in the topology but face the same problem.
Cgenff method as in protein-ligand complex simulation gave me broken cation_ini.pdb (since the number of atoms is correct I neglect this ) but when I proceed to combine the .gro files of the ions, like proten-ligand complex to get one structure file, they appear covalently bonded or scattered in the space which is not the correct chemistry of ionic compounds.
Ligpargen, Polypargen, Acpype, and TppMkTOP servers returns error whenever I submit either of the ions to get the topology file from them.
When I use AmberTools23, I got error at the step of packing the ions together and saving the prmtop and rst7/inpcrd files of the system.
I do appreciate your patience and guiding replies.
Solid state electrical conductivity.
when we do DFT calculations for Li ion battery in ATK, then li ions or li atoms are intercalated???
I have hydrolyzed my protein in 5 ml of 6N HCL and diluted the hydrolysate in 100 ml. Now, i have to run my sample on LC-MS. Therefore, i have to remove Cl ion from my samples before injecting it in LC-Ms. If i remove HCL through vacuum dryer then do i get rid off from HCL completely with no chlorine ion in residues?
or any other suggestion for running the samples in LC-MS hydrolyzed with 6N HCL?
Hello,
I am not familiar with different analysis modes of mass spectrometry so I seek your help.
I wish to understand the difference between DIA and DDA analysis.
I understand that DDA searches the top N number of the highest-intensity precursor ion peaks to go through MSMS, then after a certain amount of time, it selects the next N number of peaks and so on.
I also know that DIA is not top N but rather chooses an isolation window and fragments EVERY ion in that window.
Heres my question, if DDA keeps selecting top N and the next and the next, doesn't that also mean that eventually every ion will be fragmented? like DIA? am I completely missing something?
To me this sounds like tomato tomato so I appreciate all the help I can get
Thanks
Andrew
I have an idea that explains consciousness. About 8 years ago, Professor Donald Hoffman asked a very important question to help us understand consciousness. He asked, "How is it possible for calcium and potassium ions that enter and exit through neuronal membranes to give rise to our conscious experience of, for example, the color green, or a smell, or a sound?"
So, my idea that answers this question is that the color green, for example, has a specific frequency associated with it, and the same goes for the color red or any other stimuli around us. When these frequencies enter the brain, they can be considered as inputs.
The frequency of the color green,
for example, has a specific code or pattern in the brain. This code represents the way that nerve cells communicate with each other through the exchange of calcium and potassium ions across neuronal membranes.
We can call this process that occurs in the brain "processing," and the brain, because it translates these frequencies, can be thought of as a compiler in a computer.
A compiler takes human-readable code and converts it into machine-readable code, known as machine language.
Then, somehow, our conscious experience of the color green emerges.
We can consider the formation of conscious experiences as outputs.
To me, this topic feels similar to programming. In programming, we have outputs, compilers, processing, and inputs. So, could it be possible that the brain is programmed to understand all these frequencies, decode their patterns, and create consciousness? I'm not saying that we are
programmers, but rather, it's the brain itself.
What I'm trying to say is that everything in the universe has its own frequency and its own specific code.
The brain decodes these codes through the electrical activity that occurs with the entry and exit of ions across neuronal membranes, and then consciousness is formed.
Is it possible that this could be true?
"I believe that we can prove this through experiments on animals."
both are gives same optical properties or not ?
Hi everyone
I have a problem with Histag protein purification. I have this construct with his tag on N-terminal. I went for small-scale expression and I had some good bands. However, on a large scale, the protein didn't bind with the HiTrap TALON cobalt. My protein contains an Mg2+ ion coordinated by the side chains of Asp, His. How to overcome this metal ion issue, or Should I change the column to a Ni-Trap?
I appreciate your help
Hello all - I am new to learning MS and don't have a lot of guidance. I am having a really hard time finding information on what criteria is used to choose the optimal CE for an MRM transition. I have found multiple resources online showing how to do edit ramp functions in my software (Analyst) to obtain an "optimal" CE, but it doesn't explain why that CE was chosen as optimal, so I have no way of knowing for sure that the function worked correctly and that I am choosing the best CE. I have been looking up and down, left and right and cannot get a clear answer. I've also asked multiple people who have all told me different things. I've been told to choose a CE where the parent and daughter ion are about the same intensity; I've been told to choose a CE where the parent ion is 20% the intensity of the daughter ion, and so on. If someone could tell me how they choose their optimal CE I would really appreciate it.
what are differences between mechanism of heavy metal ions adsorption on activated carbon and mechanism of ion adsorption on volatege connected types of carbon electrodes?
Electrical field or functional group? Which factor really acts?
may a supercapacitor electrode without voltage absorbe ions?
Valence of ions are effective?
Recently, I looking for the information about graphene oxide (GO) especially the common problem or disadvantages when applied ion the membrane. Why GO is more special in some researchers so used as nanoparticle or catalyst in membrane modification. I am sure if every material have a weaknesses. So anyone please tell me. Give me some references to my email: [email protected]
I heard that the electronic structure of the precursor is changed and the valence state difference occurs due to metal ion doping, so I wonder how this improves structural stability.
What easy methods are availablefor coating of active materials like WS2 on Cu foil used in Li-Ion batteris ?
Hello, I am trying to quantify some very low abundance peptides and need to squeeze every last bit of sensitivity out of my instrument (Waters Xevo tq-s). Is it possible to collect SRM data and then combine the signal from multiple product ions? Would this actually lead to a useful increase in sensitivity? Thank you for your help
Hi Everyone
I need to improve the solubility of Potassium Humates in hard water. Generally, potassium humates are soluble in hard water but within a few minutes, it has precipitated due to the complexation of humates with Ca & Mg ions. Can anyone help me to avoid this precipitation or sedimentation?
- I want to make a unit cell of NiO. We know that NiO is an antiferromagnetic material meaning the magnetic moments of the neighbouring Ni ions align in an alternating manner (one spin up and then down). So what should be the coordinates of the Ni and O ions, so that if I want to make a unit cell/supercell, the program can understand the location of spin up and down of Ni and the non-magnetic ion O?
I am starting research about zinc ion batteries and looking for standard commercial material for zinc-ion battery cathode, but I can't find any publication about commercial material of MnO2 as cathode zinc-ion batteries. Do you have any suggestions or papers about other cathode materials for zinc-ion batteries? (using commercial vanadium or PBA).
I am having trouble understanding calcium ion fatigue,, I always have seen papers go over the idea that it's the sodium ions that inhibit calcium ion release which would then limit the muscle to contract. I have been seeing some people write about calcium ion fatigue and how an excessive amount of calcium ions can cause higher muscle damage and this occurs through higher rep training as well as training a muscle at longer lengths because the stretch activated ion channel will open allowing calcium ions to flow in. I am confused in the sense if all that is true or if the idea of fatigue is more complicated?
There are plenty of analytical techniques in measuring these analyte. I want to know which works best in terms of accuracy, ease of use, and turnaround time.
I am analyzing UPLC-MS data, where I don't have standards and performing a non-target screening of small-molecule compounds. How can I convert the mass ion intensity which is in percentage to ppm or ppb?
Hi, I'm going to study the binding affinity of my protein with calcium ions. I'm looking for a buffer that can control the pH around 8.5 or more. I heard that Tris is not really good for ITC so I'm looking for another buffer that can control pH at 8.5 or more. May I have some advice on this? Thank you in advance.
Dear researchers
I am working on the activated carbon, which synthesized by sulfuric acid impregnation. From EDS , 3% sulfur content attached to the AC. I studied the this material for Pb2+ uptake, and it can remove up to 100 mg/L initial concentration of lead solution. But, when studied, the selectivity by mixing Pb 2+ with Mg2+. Cu2+ and Zn2+ the material was not selective. May I know the reason.
Here is the supporting data related to the coexisting ions :
Ion Ionic radius Type of acid
Cu2+ 73 Borderline
Mg2+ 79 Hard
Pb2+ 119 borderline
Zn2+ 74 borderline
Thank you all. :)
Dear colleagues
we are working with ISFET measurement technology to detect NO3-, H2PO4 and K+ as well as pH.
I am looking for a comprehensive publication with the subject: conditioning of ion sensitive ISFET. So, how is the ionophore optimally conditioned or made sensitive to the corresponding ion. Is there any indication for different approach when different concentrations are to be analyzed?
Who has researched different conditioning procedures and published the results?
Many thanks and best regards from Osnabrück / Germany, Stefan
I have tried using Autodock to dock the Tio2 complex to a protein. However, a few of the web-based properties of this metal ion need to be validated. The computer algorithm identifies it as a carbon atom in the final findings.
Zn paratmeter:
Non-H-bonding Zinc for the ZN atom_par 1.48 0.550 1.7000 -0.00110 0.0 0.0 0 -1 -1 4 #
Likewise, I need the parameter for Tio2. Kindly help me to solve this issue.
Thank you in advance!
Calcium is a metal ion and am getting difficulty in molecular docking calcium ion with protein. Most of the docking tools are not able to process metal ion as ligand.
Which water is in a state of downward movement in the gravity and type of stream load comes from groundwater seepage and ions are in solution?
Hi
I am using Gromacs 2018 version. I ran the MD simulation for 400 ns at 300K (I didn't change the classic tutorial md.mdp except for nstep). While watching the .xtc file, I noticed that the water molecules were coming out of the simulation box, but I ignored it (image 1 is the figure I saw in frame 0, while image two further frames). I thought it wouldn't be a problem because of PBC, but I still couldn't understand why it was like this. What surprised me was that at 400 ns, there were no ions left in the unit cell and ions were visible outside the unit cell. According to PBC, if an ion was leaving the unit cell (it must have left since I saw ions around it), wouldn't the ions have to come back in to balance the number of molecules inside? It's as if there are no ions in my unit cell but there are ions in the display cells. How is this interpreted? Any idea what is the problem?
I am trying to dock a ligand to an active site with a metal ion. The docking is successful but there are no bonds to the metal ion and the metal ion is not shown in the ligand interaction diagram.
The problem is when my supervisor runs the same ligand with the same protein, he is getting bonds to the metal ion and the metal ion shows up in the ligand interaction diagram.
I believe it's due to some settings like excluding metal ions in some setting but cannot figure out what. Any insight into this is highly appreciated.
For example why Tricine - Tris gives better resolution than Glycine - Tris in this papper?
I know it is related to the ion fronts but I don't truly understand why that changes the resolution of the assay.
Thanks for your help.
I need to purify a metalloprotein in its apo form. During heterologous expression of protein, there are chances that the protein binds to metal ions from E coli. How can I get recombinant protein from E. coli without the metal?
There is no clear explanation for the formation of triiodide anion from the reaction of iodine molecule with iodide ion.