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>> So it's my current project to be here to discuss a little more about my condo research computation no now no mechanics of. Interface problem with this nano particles in the cell membrane so. You can call me X. clear instead of Change How can charge the very difficult for long thing English there's very few names start with X. and start with a Q..

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But I have both anyway. So college engineering U.G.A. is actually the form was formed in 2000 Chouteau it's pretty new we have these newest college engineering this out is a public university in Georgia and I think the main purpose of the college in U.G.A. is to serve those engineering students in Georgia who want to take engineering in Georgia instead of to go to Jason states like Alabama or I mean those students probably cannot take engineer in charge of tech right now can take the engineering in Georgia.

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So before that many are college. My lab especially my 2 graduate students and surely those who work down by a. Couple of years in Georgia and right now post I'm actually a professor in one of in China one is in the state. And also I will cooperate. And also Dr Shah for some kind of collaboration experimental work.

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So why we are interesting cell Nalin part of interactions OK. So 1st thing is everywhere we have not a particle so not a particle or are you creating this anyway all of these kind of. Pollution problems also countries and we every day we breathe. And and we have these kind of not a party going take 3 days in jail and exile and also we have lots of those new technology.

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Flexible electronics are these all bring the Tronics to the tag or diagnosis to the disease inside the body like a brain tissue brain like a heart disease those days always involve these kind of electronics electronics made of these and you know getting materials so those that you will damage not a particle can be take by your body.

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And also use a lot of those cause Magic's facial creams I think most of the ladies probably use a lot I use a lot actually in morning to use in the face cream for those face cream also have lots of those nanoparticles the inside and eventually those in the particle uptake by your skin cells.

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And also we see a loss of those kind of dated kooky is actually my case actually each a lot of those colorful cookies and there's a column of cookie ads actually also have a lot of those nanoparticle I want of them is the OK and eventually those all this now the particle uptake by your bodies so whereas now the body will go and how does NOT apply to interact with your cell OK.

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So for the not a particle in now is a cell less we see lots of those kind of disadvantage also frustrations for example here there's a sale on the going frustrated of fibro psychosis which is these kind of long nanotubes and the cell cannot operate these non-truths so just penetrates through this cells those cells are very frustrated about the status and these cells are actually easy to develop informations and Sam saying for the it's a kind of 2 dimensional materials like graphing into cells after penetrating a cell membranes.

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All these kind of interaction on coasts sell information and eventually maybe cause some tumor development. And of course for now the party going to have to sell we have benefits again from those interactions one of the major part is drug delivery I would do lots of those kind of personal lies the medicine and.

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Try to develop with those kind of a draw can deliver those some of them out of particle transport in a blog that's so to the targeted area to release those kind of drug efficiently to cure the tumor or to most else and a lot of a lot of thing we can think about is the strongest is you see it is kind of block the form of your vessel and we use this kind of our drug from suit is not a particle to deliver to target area and it can easily to resolve these kind of blood clot so those kind of benefit we have learned from Excel not a part of interactions.

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So let me talk a bit about the struggle over the main thing is I'm going to study these kind of interaction in these kind of systems so we can talk about the drug delivery we have a lot of those see issues relevant to the drug delivery system OK So there's a several kind of disco number one is a noun a part of a protein to action so when you or you put this drug in your blood the 1st thing is now the body in fact was approaching this Kora form this kind of actions then I wind up broad circulation right while we have these kind of laws not a particle.

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They are called this drug put into a lot so these now the body will actually circulate in Missouri your block flow how these kind of particles suck late in the blood and also we have these extra ration to the to my side once you have to the target area Hala not a particle can escape these barrier to into the to my area and also the printer ations and.

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Sarah the OP tape and interests out of trafficking so I highlight this pawed is a I'm going to talk about the interaction between a cell and a particle some talk about this how the cell optic he's not a particles. And a lot last issues of control drug release how do we do these kind of control releases during a period of time not just boast of these.

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So I'm talking about all these cell and so 720 actions but one of the important part is the cell membrane OK So we have this not apply to go into it with a cell the 1st thing is how the now to in there with that member so the rest of what I'm going to focus on the now the powder in having the cell membrane and the from the computational viewpoint OK I'm not doing any kind of experiment but I collaborate those kind of thing from the side.

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So the cell member and the major parties are this kind of living molecule double layer in different molecules OK and you instead of those kind of protein trans member of protein. In terms of not a particle OK we have a loss of issue rather than out of body cause we have fabricated many many different types in our party course in taken in terms different kind of parameters one of the important saying is when you have not a body going down with a cell membrane the 1st thing is these things are about as an animal the size I was the size the fact how the size inference that now and then into actions then the 2nd one is the shape we can imagine that the shape was a different shapes Saffir cue rock triangle So right now we have many many kind of techniques can fabricate these now the particles in different shapes so holidays now the party we're into cell membrane then a sudden layers of service coating how do we coating the surface with different kind of polymers or proteins and can be efficiently interact with the cell cell membranes.

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All these kind of thing relevant to the nano particles. And as I said these are a lot of work experiment work and also a compilation work from my lab we do lots of modern simulations some very interesting about the Condor we can work up and down in the last.

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I think the last 10 years in this community so a lot of people have done this kind of size the fact that this is the 1st thing I think you can imagine that right and a lot of work or going on these shape effects. And there are also our last people working on a surface chemistry design different kind of service coding and I do simulation or simulation There's another project object by the same.

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And also the micro environment as I mentioned before where you have a drop the drug always circulating in your blah blah the environment how those plans are part of interest those blood. Cells like a radical ourselves why are our cells and how those of another party will come marching on your and a serial cell in the senior center layer and eventually getting inside a body.

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So whatever else we can think about that what type of a dollar property we can study in terms of none of the Holocaust. So one of the things we have observed before from experiments is. These kind of very soft very soft actually very soft. Now the particle on the surface of the cells they can bend they can try to wrap or get inside and also we know.

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Like these H. I.V. virus a lot of virus getting inside the body the virus are actually very soft. Compare with those fabricated that being organic and body close. The same again but here we fabricate in a lab a typically very stiff It's not easy to deform but it isn't the virus was some of those parts magic material or protein material not in particular they are very soft so what happens OK these 2 type of things.

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Individually was the cell how these SEO uptake these softer particle and the state particles and. So as a nation very beginning I'm doing computational So let me just take using maybe 2 slides to introduce a little more about the computational model we have used. Very simple we use a Malacca dynamic simulations I don't know how many of you Will Cain a computation a field and you know the M.B. simulations so M M this information.

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Putting a very simple word is a combination simulation techniques a louse want to predict the time erosion of a system which is in turn the system consists of into acting particles or Mon and Tues OK so. In terms of these foundations of and dissimulation it's just 2 peoples number one is you create a model I need to create a model which is that can be considered a very simple single be the model of atoms all our way is a.

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Protein bar there is a complex geometry models and you give the usual last of these atoms initial velocity these are the president's And of course initial accelerations that then the 2nd appeal is a how you governing right how do we go all of those motions of those atoms not a group through kind of interaction between these atoms we control by into time your potential just like hard the mission of a beginning of all of this energy profile and target or the mission and you provide this actually to tell you the action between these atoms OK so was you have these 2 then the next thing is you just solve these.

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Very simple you question I think everyone know that it is a 2nd or Newton's 2nd law equation you solve this equation right this is a force acting on each atom and M.R.I. is the mass of these atoms right and is the acceleration of that atom so once you solve this problem you get the ones you have a are you can have a new velocity you have a new position so you can March on from 1 status to Ramallah status so once you have these kind of.

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Configuration you can based on the velocity based on the position based on these statistics based on this information to infer the stat is the property or is it not Michael Scott a property. Semiconductor with those things that in the. Ring in getting into a system or the way you can calculate these energies why for these systems a very simple.

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Kind of idea for compilation of all and in terms of and decent nation so if you're really interested in disintegration they have tons of. Open source code right now. And is a pretty. Not very difficult to learn. And I sing is a very powerful tool to do these kind of nano mechanical.

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Kind of stuff. The model we use here now is the cost the model so this is a schematic figure for member and this is the kind of member model we have are using color screen A.M.D. simulations so cost going one in cost green. OK So for. If I if I try to model this member an impure atom that means I have many many in this kind of hydrogen atom oxygen atom those things right and you can imagine this member on.

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For the typical size of a sail was an item micron sized So if I tried to mate and made a model with a lot of bad numbers a huge OK maybe maybe. Painting ADAMS So the painting atoms I cannot do right now based on my computer Asian resources I can access so I try to reduce that number by in terms of these kind of a cost remodel it's a costly model means I try to groove a few atoms together into a peak out of was it beat beat get to reduce the number of freedoms by not a system to increase the competition efficiency but meanwhile I want to still maintain some time of some kind of a detail information I don't want to lose all the details information.

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So that's why we call them the summations. This is a very typical model I use for similarity to solve to not a particle so the software not a particle is made of member the members of. The member and and the measure member is through these kind of connection between adjacent particles and this is the one of the potential to control the behavior on the day formation of all these member so you can imagine we control the bonding action we control the area we control the volume and also we have the bending energy involved so that's a very simple model for these now the particle models.

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So before I talk about these. Now particle stiffness a factor in this. Simulations this one of the study not a particle is a coating in fact how this over the coding effect the penetration from. Memory so if you look at these A.B.A.. Is like a pattern. That means hydrophilic.

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Hydrophobic and you can change a different kind of patterns on the coatings see this behavior is different and also we can calculate the force of the member in. Different patterns and then you will find out the pattern. Strong a kind of larger force required to. Be a pattern actually a very small force needed to penetrate the member.

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Also we cooperated one of the professor in Indiana University would do some of the kind of work based on this answer and a fairly generous part of course we coding was fire that was approaching a lot of side with a chart of particle and see how this one a particle affects the member and integrity actually you will see this different kind of coding reform different kind of pull formation on the member and this is actually.

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On a different kind of time and this is different coming treasure and Allison is if you look at least 2 picture this is a 2 interesting picture I would try to understand the reason so Tom One is that you know a particle was either coating was part of my side is a coating with charge of the particle positive charge a lot of kind of cases Same with the polymer one side a lot of side is an active part of tropical and if you look at this member and damage is a different patterns this is the same like a more smaller hose and appear that all these are across all the members but this one since you have see these kind of member in the form is a fragile fragile behavior and.

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One of the possible reason we think about is when we have these elective Polish article. The next member integrated their negative charge so it's not very easy to attach a very beginning part of Paul tragical it's easy to attach on the surface. And we do a some kind of these simulations is how we now particle form the form this plant kind of a hole on the membrane.

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A lot of interesting research we have about these class show extraction from cell membrane so one of the. Implication for the. Diabetes Haitian and also the obesity the loss of those kind of questions in the cells and in the cells remember and we want to remove these cross.

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You can use those kind of the technique form chemical or biological stuffs one of the thing we think of all that is can we use this kind of getting material. To extract the extra question from the Assam memory so we do the kind of simulation and this is a member and I was a member.

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Imbedded a lot of those questions and we put them graphing on top of this member and you will see that these kind of phenomena so this is a kind of movie to show how these cholesterol actually removed from some membrane by by describing so you can see this kind of question actually climbing on the surface of the scruff and extracted from these membranes OK this is just like a side of what we have done for the surface interaction between 2 dimensional material with some membrane that Lex next thing is talking about the formal particle I mean.

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So when you talk about the form of hot equal we designed the stiff I'm all those different aspirational OK this is a aspirational number 11 and the point 22.2 and 1.3 back in that he's not a pod you have a Sam warning of a different shape in terms of aspirational and this is a very simple kind of a correlation I want to paralyze was the kind of stretch ability each of those particles that is on the force and despite incur we can calculate the stretch of different shapes amount of particles then.

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I introduce there's not a particle with a cell membrane I want to see what happens once I have these interactions I don't know why. This movie called somewhere here. In. This movie actually for individual simulation I put the side by side OK So this is this for individual movies show how these different shapes nanoparticles.

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Uptake by the cell membrane actually the same is a very very large I just called in to that small piece to cities pictures and you will see to this process these very short another part of the same man is a very easy to uptake but before this very long this rock shaped man a particle doing this kind of process actually will bend bend is from some point and that the formations March larger than the smaller part of course.

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And in terms of wrapping time if you look at a rock in time probably in time means how fast the member unwrapped the now a particle and after the particle and he will see that if you have a very long shape. Is robbing time a pretty long and and also the process a pretty low profit pretty slow compared with these.

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Short kind of random particle. This is a kind of a safety factor and also we do the same thing our studies kind of stretch for the fact and say I made a group of now a particle with the same shape and in this case I can see the aspiration is 11 and I and I and I made is not a Hollywood different kind of a stretch ability so you can imagine point 2 is a very easy to bend or stretch and these 220-2200 are pretty difficult to bend or stretch and if you look at the process you will see that verse of the particle is easy to bend and they do the process actually where you have these voting orientation ever beginning a particle once the particle attach the same membrane the several have a strong attractive force to bend is not an article on the membrane then I'll take a very stiff particle is a very is very difficult to bend and almost generates actually generate a hole or even if you look at these Member Area this this kind of penetration through the member and the memory actually broke on the age of the.

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Particle form a hole is a very difficult to object by these. So membrane this kind of result as actually. Confirm those observations has been serving our work soften a particle to ban wrath of the take a long time to wrap it. So a lot of a lot of kind of.

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Simulation or experience work we have any of service for this now a particle in talking with some member is a rotation. This is a want to kind of free kind of work I've done before. In this group from one from P.C. P.S.U. one is from. I think is from.

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STANFORD UNIVERSITY So these saying you look at the knobs on Tico when you have with assembly member in another part of actually you have a rotation right at the very beginning if you if you put there's now a part of the vote equally and the particle actually will be attracted by a member and then you would take this kind of lay down process and then eventually the particle would lay off then for the object so all these kind of different simulation or because of this phenomena we call it a passive rotation OK so how about how about if I have a particle made of material which I can adding an external In fact the particle actually rotate so you have particle actually wrote a whirl happens in happening between it's not a particle with that membrane so there's a lot of too close to where I used in those kind of rotation now a particle to break the cell membrane so one of the techniques we have they haven't developed is using the mechanical force to rapture the cell membrane and eventually cure the sale as we know by.

[00:25:18]
We have a lot of work working on these kind of chemistry right we try to using the chemical property or someone probably to to describe the cells and eventually kill the self so how about can we combine these chemical behavior all over some of behavior non-portable with mechanical behavior them how to go to better Chiodos or efficient kayo those to my cells.

[00:25:46]
A lot of work is done by my my collaborator actually. In U.G.A. I do not have those who tell you now I'm going to action to expedite the blockquote bizarre get a block while you form this letter were actually other words that you have lost it was a ball of cells and planets that are works operating or doing this kind of stuff so we typically use a T.P.A. to dissolve the blockquote So when we deliver the P.V.A. we're using is not a particle right how about we can use this mechanical behaving in a particle to expedite the process.

[00:26:20]
So that's a longer kind of saying we're consider right now and. When I apply these kind of rotation what happens if I have these behaviors Ulysse there's a couple of a movie to show. How these rotation of the party clothes. Interact with these cells and membranes. So one of the challenge issue I can tell is.

[00:26:53]
We can fabricate a lot of different shapes and it is not a party was made of magnetic material so you can using his X. on the magnetic field to rotate but the thing is how to control the rotation. That's a kind of challenge right now we face how to control the rotation or intention.

[00:27:12]
And different kind of a rotation see different kind of consequence with the soundman and a lot of those cells. One of the. Kind of. Research work I have observed is for these kind of Saucedo communication from from this kind of idea. Of a kind of simulation to form the junction where you have a sale close to each other they form this gap junction junction the Gabba junction actually provides a kind of.

[00:27:50]
Avenue for those cells to communicate each other because they could transport these different genes or say materials from this junctions and this is the kind of work from the age they form these kind of fabricated on the official junctions to the knowledge to and you see this is self analysis by now the tubes so we think about can we can we use this card idea too.

[00:28:18]
Based on these the technique we have for. You know taking down a particle I will take another particle and we have these kind of hollow didn't have a particle and we can connect these cells into form these junctions and through this junction we can we can transform something right from from one side to last so this is the kind of simulation we have Dom This is a you can conceive of a large mall if you OK you can say D.N.A. or something like that and you can transport these D.N.A. from these channels right from one side.

[00:28:50]
So this is the kind of idea we haven't done. Yet. So a last thing I just mentioned before we tried to use those not a particle to to rapture the cells and in addition using the kemo Sarah P. to cure the cells so can we combine them together by using mechanical force to rupture the cells and to cure the cells.

[00:29:15]
So when we have these ideas to try to cure the cell suit is rotating Not a particle so one of the one of the 1st and you have this now a particle contact with a cell is if you form this interaction the cell can opt take back up take a nice analogy or Either way there's not a part of the stick on the surface of the member OK so you have you can have these 2 different kind of modes while most of the cord what we call the binding modes as an attachment on the surface another one is we call it kind of in the psychosis the mode the party go out you're trapped inside a member and then you study notation see what happens.

[00:29:56]
So this is something from a lot of groove. Done by. Marco's into solving 11 they are because of these 2 different kind of a bonding behavior on this particular just attach on the surface a member of the other one is not actually trapped inside a membrane. So we try to simulate these 2 cases one is the attachment mode so.

[00:30:24]
We did some kind of particle attach on the surface a member then we rotated on a particle see what happens and during the time evolution you would see the member actually rupture the bodies and the particles and if you look at least in those eyes in the boat that means I have led this particle in time with a cell phone while then I started rotate these you will see this kind of phenomena look at the time right take full Rapture this time this part of this kind of mode and take a little longer time to wrap just their memory but this kind of mode is take less time to remember so you can I think is pretty understandable if you have part of.

[00:31:03]
The pilot in the membrane then you start to rotate the member and probably easier to rupture due to higher sheer force by generated by this nobody knows. How to finish and humans a lot of things of all the member and rupture with different shapes as a mission a very beginning right this kind of a shape anisotropy plays a very important role where you interact with the cell membranes so we study different shapes.

[00:31:32]
And also. So if you look at these shapes in fact you will see that if you have a rod shape it's a much better then you have a severe shape but if compare weighs a L. shape even better to rob just one member and if you look at these kind this pictures shows the density of the Member Area by if you look at these red area that means some kind of members overlap each other and the this area.

[00:32:01]
Form that ruptured from the holes. And this is a wall of the movie. You're going to see these nanoparticle rotate on a member surface and you generate these kind of damage. And ice on the way saying. These kind of member and damage eventual leads to the cell gas so that's a kind of hypothesis that we have.

[00:32:32]
To conduct one of the groups to do them by and Asians and this is some saying from all of who. Look at these kind of now a party going back to where sound member and they look at here we go now grabbing Iraq on the alternating grabbing a few to 30 minutes you will see this cell phone laws of a host.

[00:32:54]
And this is a lot of things that we talk about the loss of the structures so that means he's located on the part of actually mechanically destructor of those cell membranes and the form from the host. That last a size of when we study these kind of rotating behavior of not a particle in how would a cell membrane we want to understanding the face the face Styron in terms of strength and the rotation speed so you can imagine you feel you have a particle rotate a very very fast.

[00:33:27]
And on own bonding with the surface he can imagine there's a stretch hold for the speed or training speed to wrap December or either way if you have or they have a lot of kind of stress hold bonding strengths if you have a lot of particle attached the same member is not a very binding on a very strong way rotated another part it actually would detach from the surface right so this is something we need to consider that we try to design experiment work so how do you consider how the code in the lab particle to make the nano particles strong enough interaction with the member and they rotate Lawson is how fast we can rotate to make sure not to touch the member body you can still remember so we did some kind of simulations in terms of bonding strains and.

[00:34:13]
So we came magic for this case these kind of start means rupture these kind of rom the so-called means perfect structures not any ruptures So when you have a very very high speed in the White House in the mode you get no matter what just no matter the bonding strains OK on the surface between between and now the body going to say membrane Once you have that kind of rotation speed you can always drop to the cell membrane.

[00:34:41]
These are all from simulations we haven't do these kind of spend more if someone in this room interesting about it for a moment where we are there for you to collaborate to do that. Of. Lost in this catalyzed this kind of memory and hope so while I'm away ways we categorize these 4 members a whole right if you do experiments you can using this different kind of tactics to move a bit of that right what a simulation we can do it is kind of a water kind of transport all the diffusion if you form the whole but what it can be they pass through one side OK so you form a whole you can imagine.

[00:35:23]
If you should change right before and after so if you if you look at these to be formed after for this event are going to be can easily see if the fusion of dirt increase a lot that means that the form laws of the host or at least some kind of.

[00:35:41]
Space open on the membrane or to transport these water easily OK So that's kind of a quantitative analysis we form these holds on the member. I think I'm just stop here and summarize my talk for this is a take home message So number one is Stephen out of particles are easy to object by the cells I Comparer would solve the particles OK and actually rotated on a particle provides some kind of mechanical techniques for rupture the cell and kill the cell and I and the laws in this kind of rotating out of particles can form these kind of artificial conjunctions to facilitate these selves subsumes transporter between one of them OK all of these work as I said is based on modern simulations we come over for something U.G.A. to do these kind of explain where for example one is of all these cell member rupture we are kind of walking on the cells to see how it works OK Thank you.

[00:36:58]
Well. OK that's a great. OK OK. I agree I agree. Yeah. I think you touch a very good a very fundamental question for the M.D.S. imaging community a lot just by myself I always ask myself some question OK are we doing a simulation. Right now based on the common computer computational resources we can even if you reach the length scale.

[00:37:53]
From from from nano scale to my can scale we can do that by the full time scale. These kind of times that we choose every time we've based on the vibration of the atoms so the frequency of vibration atom is like a verb or small picosecond So if you want to research if you want a simulation from picosecond to the Nano to the even to the now a 2nd you have a 6 all the difference right so this is always challenging for for this committee how do we accelerate time scale to reach to these real immobile time scale that's that's not the question I don't know the exact answer I can tell you though simulation you're right this is a mission on on the nano scale nano seconds in non not the kind of a.

[00:38:43]
Real kind of 2nd observation from experience. I don't know how to answer the question to tackle this problem but I I definitely would like to look into some kind of spend work. Yes. Exactly. Yes Yes exactly we actually this work has done maybe one tour is a go so right now we are working on more complicated model incorporate those protein trans member and I agree a point that's a that's kind of thing is more interesting for so is a coating we have another body go is a subsequent right and we have a service a coating always coating with different kind of.

[00:39:49]
How the snake and seeing how it was a member and actually the interactions of happiness between Legan and proteins or linking the receptor that's more specific I know a couple groove working on the development potentials I think the key a key part is how do we develop the potential to incorporate those interactions not just member life and interactions.

[00:40:10]
Thank you I think that's a good questions. To me how the know how do you get inside of the pack extra extra very extreme vacation. I haven't downed time yet although there was work in a narrow part of the transporter another part of you now with the broken I me actually we have made a model recently.

[00:40:49]
One of the things are very interesting about this one right this is a kind of a real model this is a kind of experiment combination of all that we were trying to study is the hole is not a party in which the sparkle out so this product of a My last of those clever works meanwhile have lost a brother cells.

[00:41:07]
And we try to develop a model to replicate these Rio situation and try to introduce another party go to see how these now for interact with the cells and they're working in actions I haven't done yet but I am working on right now.