Phase Transitions of Water in Nanopores

• Project/Area Number: 15H05474
• Research Category: Grant-in-Aid for Young Scientists (A)
• Allocation Type: Single-year Grants
• Research Field: Physical chemistry
• Research Institution: Shinshu University (2016-2018); Okayama University (2015)
• Principal Investigator: Mochizuki Kenji 信州大学, 学術研究院繊維学系, 助教 (40734554)
• Research Collaborator: Koga Kenichiro ; Sumi Tomonari ; Matsumoto Masakazu ; Ben-Amotz Dor ; Molinero Valeria
• Project Period (FY): 2015-04-01 – 2019-03-31
• Project Status: Completed (Fiscal Year 2018)
• Budget Amount: ¥24,180,000 (Direct Cost: ¥18,600,000、Indirect Cost: ¥5,580,000); Fiscal Year 2018: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2017: ¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000); Fiscal Year 2016: ¥8,710,000 (Direct Cost: ¥6,700,000、Indirect Cost: ¥2,010,000); Fiscal Year 2015: ¥9,620,000 (Direct Cost: ¥7,400,000、Indirect Cost: ¥2,220,000)
• Keywords: 水 / 氷 / 相転移 / 分子シミュレーション / 疎水性効果 / 不凍タンパク質 / 疎水性相互作用 / 分子動力学計算 / 相転移ダイナミクス / 臨界現象 / 結晶化 / ポリビニルアルコール / 水・氷 / カーボンナノチューブ / ラマン分光 / 共貧溶媒効果 / 分子動力学 / アルゴン

Outline of Final Research Achievements

Using molecular dynamics simulations and theoretical methods, we have studied the influence of confined space and solute on the phase behavior of water. We showed the potential solid-liquid critical point of water in carbon nanotube and the formation of ice between a pair of antifreeze proteins even at room temperature. Furthermore, we investigated the mutual relationship between the structural change of macromolecule and its hydration shell, and the promotion/depression of freezing of water by macromolecules.

Academic Significance and Societal Importance of the Research Achievements

本研究は、水の相転移に関する研究である。熱揺らぎによって自発的に秩序が形成・崩壊する仕組みの分子レベルの理解は、物理化学の重要な課題の一つである。また、水の相転移は、雲の形成や食品の保存など、我々の生活と強く結びついている。水の基本的性質の理解は、タンパク質の機能や溶媒効果を考慮した材料の開発など、多様な分野へ繋がる。

Research Products

• [Int'l Joint Research] University of Utah(米国)
• [Int'l Joint Research] Purdue University(米国)
• [Journal Article] Computational Study on Homogeneous Melting of Benzene Phase I (2019)
  • Author(s): Mochizuki Kenji
  • Journal Title: Crystals Volume: 9 Issue: 2 Pages: 84-84
  • DOI: 10.3390/cryst9020084
  • Peer Reviewed / Open Access
• [Journal Article] Collective Transformation of Water between Hyperactive Antifreeze Proteins: RiAFPs (2019)
  • Author(s): Mochizuki Kenji、Matsumoto Masakazu
  • Journal Title: Crystals Volume: 9 Issue: 4 Pages: 188-188
  • DOI: 10.3390/cryst9040188
  • Peer Reviewed / Open Access
• [Journal Article] Antifreeze Glycoproteins Bind Reversibly to Ice via Hydrophobic Groups (2018)
  • Author(s): Mochizuki Kenji、Molinero Valeria
  • Journal Title: Journal of the American Chemical Society Volume: 140 Issue: 14 Pages: 4803-4811
  • DOI: 10.1021/jacs.7b13630
  • Peer Reviewed
• [Journal Article] Hydration-Shell Transformation of Thermosensitive Aqueous Polymers (2017)
  • Author(s): Mochizuki Kenji、Ben-Amotz Dor
  • Journal Title: The Journal of Physical Chemistry Letters Volume: 8 Issue: 7 Pages: 1360-1364
  • DOI: 10.1021/acs.jpclett.7b00363
  • Peer Reviewed
• [Journal Article] Influence of co-non-solvency on hydrophobic molecules driven by excluded volume effect (2017)
  • Author(s): Mochizuki Kenji、Sumi Tomonari、Koga Kenichiro
  • Journal Title: Physical Chemistry Chemical Physics Volume: 19 Issue: 35 Pages: 23915-23918
  • DOI: 10.1039/c7cp04152g
  • Peer Reviewed
• [Journal Article] Promotion of Homogeneous Ice Nucleation by Soluble Molecules (2017)
  • Author(s): Mochizuki Kenji、Qiu Yuqing、Molinero Valeria
  • Journal Title: Journal of the American Chemical Society Volume: 139 Issue: 47 Pages: 17003-17006
  • DOI: 10.1021/jacs.7b09549
  • Peer Reviewed
• [Journal Article] Liquid-liquid phase separation of N-isopropylpropionamide aqueous solutions above the lower critical solution temperature (2016)
  • Author(s): K. Mochizuki, T. Sumi, and K. Koga
  • Journal Title: Sci. Rep. Volume: 6 Issue: 1 Pages: 24657-24657
  • DOI: 10.1038/srep24657
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Cononsolvency behavior of hydrophobes in water + methanol mixtures (2016)
  • Author(s): K. Mochizuki and K. Koga
  • Journal Title: Phys. Chem. Chem. Phys. Volume: 18 Issue: 24 Pages: 16188-16195
  • DOI: 10.1039/c6cp01496h
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Influence of Cononsolvency on the Aggregation of Tertiary Butyl Alcohol in Methanol?Water Mixtures (2016)
  • Author(s): Mochizuki Kenji、Pattenaude Shannon R.、Ben-Amotz Dor
  • Journal Title: Journal of the American Chemical Society Volume: 138 Issue: 29 Pages: 9045-9048
  • DOI: 10.1021/jacs.6b04914
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Water-mediated aggregation of 2-butoxyethanol (2016)
  • Author(s): Pattenaude Shannon R.、Rankin Blake M.、Mochizuki Kenji、Ben-Amotz Dor
  • Journal Title: Physical Chemistry Chemical Physics Volume: 18 Issue: 36 Pages: 24937-24943
  • DOI: 10.1039/c6cp04379h
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Hydrophobic Polymer Chain in Water That Undergoes a Coil-to-Globule Transition Near Room Temperature (2016)
  • Author(s): I. Hatano, K. Mochizuki, T. Sumi, K. Koga
  • Journal Title: J. Phys. Chem. B Volume: 120 Issue: 47 Pages: 12127-12134
  • DOI: 10.1021/acs.jpcb.6b08347
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Driving forces for the pressure-induced aggregation of poly(N-isopropylacrylamide) in water (2016)
  • Author(s): K. Mochizuki, T. Sumi, K. Koga
  • Journal Title: Phys. Chem. Chem. Phys. Volume: 18 Issue: 6 Pages: 4697-4703
  • DOI: 10.1039/c5cp07674a
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Solid-liquid critical behavior of water in nanopores (2015)
  • Author(s): K. Mochizuki, K. Koga
  • Journal Title: Proc. Natl. Acad. Sci. USA Volume: 112 Issue: 27 Pages: 8221-8226
  • DOI: 10.1073/pnas.1422829112
  • NAID: 120005668951
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Solid-liquid critical behavior of a cylindrically confined Lennard-Jones fluid (2015)
  • Author(s): K. Mochizuki, K. Koga
  • Journal Title: Phys. Chem. Chem. Phys. Volume: 17 Issue: 28 Pages: 18437-18442
  • DOI: 10.1039/c5cp02568k
  • Peer Reviewed / Acknowledgement Compliant
• [Presentation] Promotion of homogeneous ice nucleation by soluble molecules (2019)
  • Author(s): Kenji Mochizuki
  • Organizer: Asian International Symposium in the 99th Chemical Society of Japan Annual Meeting (Kobe, Japan)
  • Int'l Joint Research / Invited
• [Presentation] Promotion of Homogeneous Ice Nucleation by Soluble Molecules (2018)
  • Author(s): K. Mochizuki
  • Organizer: 35th International Conference on Solution Chemistry (Hungary)
  • Int'l Joint Research
• [Presentation] 感温性高分子の水和水の構造変化 (2018)
  • Author(s): 望月建爾
  • Organizer: 結晶表面・界面での成長カイネティクスの理論とその場観察（北大低温研）
  • Invited
• [Presentation] How Does Poly(vinyl alcohol) Facilitate Homogeneous Ice Nucleation ? (2017)
  • Author(s): K. Mochizuki, V. Molinero
  • Organizer: Gordon Research Conference
  • Int'l Joint Research
• [Presentation] Polyvinyl Alcohol as a Promoter of Homogeneous Ice Nucleation (2017)
  • Author(s): K. Mochizuki, Yuqing Qiu, V. Molinero
  • Organizer: 3rd Ice Binding Proteins Conference (Israel)
  • Int'l Joint Research