研究者詳細 - AKHIL PRATAP SINGH

写真a

アキル　プラタップ　シン

AKHIL PRATAP SINGH

所属

学術研究院先鋭研究領域（異分野基礎）助教（特任）

外部リンク

研究キーワード

Drug Delivery Systems
Force Fields Development
Coarse-grained modeling
Biomolecular Dynamics
Ionic liquids
Biomolecule-Substrate Interactions
Free Energy Calculations

学歴

Indian Institute of Technology (IIT) Madras, Chennai, India Department of Chemistry Doctor of Philosophy (PhD)

2011年7月 - 2017年3月

　詳細を見る

国名：インド

researchmap

経歴

Okayama University 異分野基礎科学研究所 Assistant professor

2025年2月 - 現在

　詳細を見る

国名：日本国

researchmap
University of Fribourg, Switzerland Senior Researcher

2021年10月 - 2024年12月

　詳細を見る

国名：スイス連邦

researchmap
Nagoya University, Japan Department of Materials Chemistry

2018年7月 - 2021年9月

　詳細を見る

国名：日本国

researchmap

論文

SPICA Force Field for Nucleic Acids and Its Application to Lipid Nanoparticles

Akhil Pratap Singh, Hiroki Tanaka, Yusuke Miyazaki, Wataru Shinoda

The Journal of Physical Chemistry B 2025年6月

　詳細を見る

担当区分：筆頭著者掲載種別：研究論文（学術雑誌）出版者・発行元：American Chemical Society (ACS)

DOI： 10.1021/acs.jpcb.5c01729

researchmap
In Silico Study of Ionizable Lipid Nanoparticles Using the SPICA Force Field

Akhil Pratap Singh, Hiroki Tanaka, Yusuke Miyazaki, Shusaku Nagano, Wataru Shinoda

Journal of Chemical Theory and Computation 21 ( 12 ) 6226 - 6238 2025年6月

　詳細を見る

担当区分：筆頭著者掲載種別：研究論文（学術雑誌）出版者・発行元：American Chemical Society (ACS)

DOI： 10.1021/acs.jctc.5c00498

researchmap
RNA Order Regulates Its Interactions with Zwitterionic Lipid Bilayers

Akhil Pratap Singh, Janak Prabhu, Stefano Vanni

Nano Letters 25 ( 1 ) 77 - 83 2024年12月

　詳細を見る

担当区分：筆頭著者掲載種別：研究論文（学術雑誌）出版者・発行元：American Chemical Society (ACS)

DOI： 10.1021/acs.nanolett.4c04153

researchmap
Pragmatic Coarse-Graining of Proteins: Models and Applications

Luís Borges-Araújo, Ilias Patmanidis, Akhil P. Singh, Lucianna H. S. Santos, Adam K. Sieradzan, Stefano Vanni, Cezary Czaplewski, Sergio Pantano, Wataru Shinoda, Luca Monticelli, Adam Liwo, Siewert J. Marrink, Paulo C. T. Souza

Journal of Chemical Theory and Computation 19 ( 20 ) 7112 - 7135 2023年10月

　詳細を見る

掲載種別：研究論文（学術雑誌）出版者・発行元：American Chemical Society (ACS)

DOI： 10.1021/acs.jctc.3c00733

researchmap
An in silico osmotic pressure approach allows characterization of pressure–area isotherms of lipid monolayers at low molecular areas

Janak Prabhu, Akhil Pratap Singh, Stefano Vanni

Soft Matter 19 ( 18 ) 3377 - 3385 2023年

　詳細を見る

担当区分：筆頭著者掲載種別：研究論文（学術雑誌）出版者・発行元：Royal Society of Chemistry (RSC)

We present an improved computational methodology to characterise surface pressure–area (Π–A) isotherms for Langmuir monolayers. Our approach is particularly suited to the study of Π–A isotherms at low molecular areas.

DOI： 10.1039/d2sm01419j

researchmap
Extended H-Bonding through Protic Ionic Liquids Facilitates the Growth and Stability of Water Domains in Hydrophobic Environment

Soumik Bardhan, Mohammad Homaidur Rahman, Shankha Banerjee, Akhil Pratap Singh, Sanjib Senapati

Langmuir 36 ( 50 ) 15362 - 15372 2020年12月

　詳細を見る

掲載種別：研究論文（学術雑誌）出版者・発行元：American Chemical Society (ACS)

DOI： 10.1021/acs.langmuir.0c02855

researchmap
Study on the Conformation of Entrapped Protein inside the Reverse Micellar Confinement Based on the Amino Acid Derived Ionic Liquid

Kaushik Kundu, Akhil Pratap Singh, Somenath Panda, Vikram Singh, Ramesh L. Gardas, Sanjib Senapati

ChemistrySelect 3 ( 17 ) 4768 - 4776 2018年5月

　詳細を見る

掲載種別：研究論文（学術雑誌）出版者・発行元：Wiley

Abstract

Owing to superior surface‐activity and versatility in functionalization compared to conventional surfactants, surface‐active ionic liquids (SAILs) gained immense interest in recent years. Toxicity and biodegradation remain central issues while dealing with the SAILs and thus, the quest for synthesis of greener SAILs is increasing day by day. Keeping in view of the importance of SAIL's performance, we undertook the present study for the formulation of reverse micelles (RMs) using biodegradable L‐proline propyl ester lauryl sulfate ([ProC₃][LS]) in cyclohexane (Cy). The formation of RMs was confirmed from the phase behavior and dynamic light scattering (DLS) studies. Fourier‐transform infrared spectroscopy (FTIR) study revealed the solvation of anionic head group through H‐bonding by added water. An increased micropolarity and reduced microviscosity were evidenced inside the RM droplets as a function of hydration level. Finally, the encapsulation of BSA protein in RMs was investigated through the fluorescence, circular dichroism and DLS studies, which showed conformation with higher degree of secondary structural content than the native state inside the droplet core at higher hydration. Our results signify the importance of the role of hydration in the function of enzyme or protein molecules in molecular crowding environments. These facts certainly prove the versatility of this kind of organized assemblies to alter their inherent properties simply by changing water content.

DOI： 10.1002/slct.201800918

researchmap
Aggregation behaviour of biocompatible choline carboxylate ionic liquids and their interactions with biomolecules through experimental and theoretical investigations

Somenath Panda, Kaushik Kundu, Anusha Basaiahgari, Akhil Pratap Singh, Sanjib Senapati, Ramesh L. Gardas

New Journal of Chemistry 42 ( 9 ) 7105 - 7118 2018年

　詳細を見る

掲載種別：研究論文（学術雑誌）出版者・発行元：Royal Society of Chemistry (RSC)

The self-assembly of long-chain choline carboxylates accompanied by their interaction with BSA protein were investigated with focus on environmental sustainability.

DOI： 10.1039/c8nj00336j

researchmap
Understanding Differential Interaction of Protic and Aprotic Ionic Liquids inside Molecular Confinement

Somenath Panda, Kaushik Kundu, Akhil Pratap Singh, Sanjib Senapati, Ramesh L. Gardas

The Journal of Physical Chemistry B 121 ( 41 ) 9676 - 9687 2017年10月

　詳細を見る

掲載種別：研究論文（学術雑誌）出版者・発行元：American Chemical Society (ACS)

DOI： 10.1021/acs.jpcb.7b07945

researchmap
Enhanced stability and water solubilizing capacity of water-in-oil microemulsions based on protic ionic liquids

Akhil Pratap Singh, Kaushik Kundu, Vikram Singh, Ramesh L. Gardas, Sanjib Senapati

Physical Chemistry Chemical Physics 19 ( 38 ) 26132 - 26144 2017年

　詳細を見る

担当区分：筆頭著者掲載種別：研究論文（学術雑誌）出版者・発行元：Royal Society of Chemistry (RSC)

In view of this limited research on pILs in microemulsions, here we study the formation and characterization of a series of pIL–water/oil microemulsions with specific questions on the effect of pILs on water uptake capacity and thermal stability of W/O microemulsions.

DOI： 10.1039/c7cp04313a

researchmap
How water manifests the structural regimes in ionic liquids

Akhil Pratap Singh, Ramesh L. Gardas, Sanjib Senapati

Soft Matter 13 ( 12 ) 2348 - 2361 2017年

　詳細を見る

担当区分：筆頭著者掲載種別：研究論文（学術雑誌）出版者・発行元：Royal Society of Chemistry (RSC)

DOI： 10.1039/c6sm02539k

researchmap
Environmentally benign tetramethylguanidinium cation based ionic liquids

Akhil Pratap Singh, Devilakshmi Sithambaram, Rutvi Sanghavi, Piyush Kumar Gupta, Rama Shanker Verma, Mukesh Doble, Ramesh L. Gardas, Sanjib Senapati

New Journal of Chemistry 41 ( 20 ) 12268 - 12277 2017年

　詳細を見る

担当区分：筆頭著者掲載種別：研究論文（学術雑誌）出版者・発行元：Royal Society of Chemistry (RSC)

Ionic liquids (ILs) are being considered as greener alternatives to conventional organic solvents.

DOI： 10.1039/c7nj03167j

researchmap
Divergent trend in density versus viscosity of ionic liquid/water mixtures: a molecular view from guanidinium ionic liquids

Akhil Pratap Singh, Ramesh L. Gardas, Sanjib Senapati

Physical Chemistry Chemical Physics 17 ( 38 ) 25037 - 25048 2015年

　詳細を見る

担当区分：筆頭著者掲載種別：研究論文（学術雑誌）出版者・発行元：Royal Society of Chemistry (RSC)

Ionic liquids (ILs) have shown great potential in the dissolution and stability of biomolecules when a low-to-moderate quantity of water is added.

DOI： 10.1039/c5cp02841h

researchmap

▼全件表示

書籍等出版物

MXenes as Surface- Active Advanced Materials | MXenes in Photothermal therapy

Moumita Saha, Ambrish Kumar: Akhil, Pratap Singh, Vaishali Khokhar, Shruti Trivedi, Kamalakant Behera（担当：共著）

Esevier 2024年（ ISBN:9780443135897 ）

　詳細を見る

researchmap

講演・口頭発表等

Intramolecular hydrogen bonding: A key factor in RNA binding to ordered phosphatidylcholines lipid bilayer

Singh A. P.

CECAM (Centre Européen de Calcul Atomique et Moléculaire) 2023, Paris, France

　詳細を見る

開催年月日： 2023年6月26日 - 2023年6月28日

記述言語：英語会議種別：口頭発表（一般）

researchmap
A novel in silico approach to characterize pressure-area isotherms of Langmuir monolayers 招待

Singh A. P., Stefano Vanni

BiomembraneDays 2022, Max Planck Institute of Colloids and Interfaces Berlin, Germany

　詳細を見る

開催年月日： 2022年9月19日 - 2022年9月21日

記述言語：英語会議種別：口頭発表（招待・特別）

researchmap
Molecular view of lipid based nanoparticles as drug delivery system revealed by coarse grained simulation

Singh, A. P., H. Tanaka, Y. Miyazaki and W., Shinoda

33th symposium of the molecular simulation society of Japan, Nagoya Japan

　詳細を見る

開催年月日： 2019年12月9日 - 2019年12月11日

記述言語：英語会議種別：ポスター発表

researchmap
How water manifest structural regimes in guanidinium based ionic liquids

Singh, A. P., R. L. Gardas, S. Senapati

26th EUCHEM 2016,Vienna, Austria

　詳細を見る

開催年月日： 2016年7月3日 - 2016年7月8日

記述言語：英語会議種別：ポスター発表

researchmap
A Comprehensive Study of the Thermo physical properties of Biocompatible Guanidinium based Ionic Liquids (ILs)/ water binary mixtures

Singh, A. P., R. L. Gardas, S. Senapati

Ionic Liquids Gordon Research Conference, Newry, Maine, United States

　詳細を見る

開催年月日： 2014年8月22日

記述言語：英語会議種別：口頭発表（一般）

researchmap

受賞

National Post-Doctoral Fellowship

2017年9月 The Science and Engineering Research Board I Department of Science & Technology India

　詳細を見る

researchmap
Half-Time Research Assistantship (HTRA) Fellowship

2011年7月 The Indian Institute of Technology (IIT) Madras, Chennai, India

　詳細を見る

researchmap

共同研究・競争的資金等の研究

Novel solvent for long term stability of native protein: hydrated ionic liquids

2017年09月 - 2019年08月

Science and Engineering Research Board| The Department of Science and Technology India

　詳細を見る

担当区分：研究代表者

researchmap
Research scholar innovative project: A new generation nucleic acid storage medium based on hydrated ionic liquids

2014年10月 - 2015年10月

Centre for Industrial Consultancy and Sponsored Research, Indian Institute of Technology Madras, Chennai India

　詳細を見る

担当区分：研究分担者

researchmap