Computer Simulation of Amino Acid Oligomerization in Aqueous Solutions Induced by Condensing Agent

<div>Experimental [<a href="/journals/jchem/2015/563065/#B8">8</a>] and calculated dependencies of the concentrations ratio <svg height="15.7816pt" id="M155" style="vertical-align:-3.9436pt" version="1.1" viewbox="-0.0498162 -11.838 40.9219 15.7816" width="40.9219pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M645 631C614 643 545 666 457 666C215 666 23 519 23 283C23 90 158 -16 337 -16C412 -16 489 2 522 10C543 39 590 127 606 167L580 181C519 89 459 18 348 18C201 18 122 136 122 287C122 464 244 632 435 632C544 632 602 595 608 472L639 475C643 526 645 581 645 631Z" id="g113-68"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="668" vert-adv-y="668"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,8.684,-5.741)"><path d="M676 0V33C628 38 606 47 555 101S396 279 321 373C388 440 457 509 495 545C556 601 582 609 660 617V650H412V617L436 615C479 608 479 601 452 566C405 510 345 447 289 394C258 366 239 353 216 348V518C216 605 226 612 305 617V650H40V617C123 612 130 605 130 518V131C130 46 121 38 44 33V0H310V33C226 38 216 46 216 131V318C235 322 249 319 274 290C367 181 444 84 520 0H676Z" id="g58-73"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="685" vert-adv-y="685"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,8.619,3.784)"><path d="M504 89L488 119C453 85 428 69 416 69C408 69 405 75 412 102L462 304C492 438 460 451 436 451S388 441 356 423C311 397 229 336 170 256H168L189 340C208 418 200 451 177 451C144 451 82 413 24 352L40 322C65 345 98 369 108 369C114 369 119 363 112 335L28 -3L36 -12C54 -3 83 4 112 10C125 73 138 122 153 174C205 258 328 382 376 382C395 382 399 369 384 305L330 93C312 25 323 -12 351 -12C378 -12 439 21 504 89Z" id="g50-111"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="512" vert-adv-y="512"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,15.439,0)"><path d="M368 703H309L44 -163H104L368 703Z" id="g113-48"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="412" vert-adv-y="412"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,20.8,0)"><path d="M645 631C614 643 545 666 457 666C215 666 23 519 23 283C23 90 158 -16 337 -16C412 -16 489 2 522 10C543 39 590 127 606 167L580 181C519 89 459 18 348 18C201 18 122 136 122 287C122 464 244 632 435 632C544 632 602 595 608 472L639 475C643 526 645 581 645 631Z" id="g113-68"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="668" vert-adv-y="668"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,29.485,-5.741)"><path d="M731 650H485V618C556 614 580 601 585 558C588 530 592 485 592 390V153H589L173 650H22V618C69 614 92 606 112 582C131 558 132 555 132 483V266C132 175 129 128 125 96C120 49 95 36 36 33V0H281V33C212 36 188 50 183 98C180 129 177 175 177 266V510H179L603 -9H638V390C638 483 640 530 644 561C649 602 674 615 731 618V650Z" id="g58-76"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="754" vert-adv-y="754"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,36.118,-5.741)"><path d="M442 39L431 68C420 63 406 57 394 57C377 57 359 71 359 118V301C359 353 349 393 314 424C291 443 261 451 230 451C171 438 107 401 79 381C59 366 46 355 46 340C46 316 72 295 91 295C106 295 117 303 122 319C131 350 139 371 152 384C163 397 178 404 197 404C246 404 281 365 281 293V278C260 262 186 232 124 213C69 194 41 161 41 112C41 47 92 -12 163 -12C195 -12 243 25 283 51C288 35 293 22 308 7C319 -4 339 -12 354 -12L442 39ZM281 87C262 68 226 51 199 51C169 51 129 74 129 126C129 162 151 181 190 198C211 208 259 229 281 240V87Z" id="g58-95"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="449" vert-adv-y="449"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,29.419,3.784)"><path d="M504 89L488 119C453 85 428 69 416 69C408 69 405 75 412 102L462 304C492 438 460 451 436 451S388 441 356 423C311 397 229 336 170 256H168L189 340C208 418 200 451 177 451C144 451 82 413 24 352L40 322C65 345 98 369 108 369C114 369 119 363 112 335L28 -3L36 -12C54 -3 83 4 112 10C125 73 138 122 153 174C205 258 328 382 376 382C395 382 399 369 384 305L330 93C312 25 323 -12 351 -12C378 -12 439 21 504 89Z" id="g50-111"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="512" vert-adv-y="512"></glyph.data></g></svg> of monomer chains of length <svg height="6.1673pt" id="M156" style="vertical-align:-0.2063904pt" version="1.1" viewbox="-0.0498162 -5.96091 6.6501 6.1673" width="6.6501pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M495 86L479 114C446 82 419 66 409 66C401 66 401 72 406 97C420 166 436 231 453 297C489 435 454 448 428 448C406 448 384 439 354 422C305 394 222 327 161 247H159L183 345C200 415 194 448 173 448C143 448 82 410 23 351L38 325C64 349 95 371 105 371C111 371 116 365 109 336L25 -4L31 -12C50 -4 77 3 107 9C119 69 132 122 145 168C197 254 321 381 370 381C387 381 393 374 378 305L329 95C309 17 320 -12 345 -12C372 -12 430 19 495 86Z" id="g113-111"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="502" vert-adv-y="502"></glyph.data></g></svg> in aqueous solutions with potassium and sodium ions.</div>

Journal of Chemistry

fig2

Figure 2

Figure 2: Computer Simulation of Amino Acid Oligomerization in Aqueous Solutions Induced by Condensing Agent 