Molecular dynamics investigation of the local structure in iron melts and its role in crystal nucleation during rapid solidification


Qi Zhang, Jincheng Wang, Sai Tang, Yujian Wang, Junjie Li, Wenquan Zhou and Zhijun Wang
Phys. Chem. Chem. Phys., 2019,21, 4122-4135
From themed collection: 2018 PCCP HOT Articles

Abstract

Nucleation process of a bcc crystal after the formation of an MRO cluster.


Can microsolvation effects be estimated from vacuum computations? A case-study of alcohol decomposition at the H2O/Pt(111) interface


Benjamin Schweitzer, Stephan N. Steinmann and Carine Michel
Phys. Chem. Chem. Phys., 2019,21, 5368-5377
From themed collection: 2018 PCCP HOT Articles

Abstract

Activation and reaction energies of alcohol decomposition at Pt(111) are barely modified by a PCM, in contrast to adding a single water molecule, whose effect can be predicted based on vacuum computations.


Femtosecond electronic relaxation and real-time vibrational dynamics in 2′-hydroxychalcone


Yoshihiro Yamakita, Nanae Yokoyama, Bing Xue, Naoyuki Shiokawa, Yu Harabuchi, Satoshi Maeda and Takayoshi Kobayashi
Phys. Chem. Chem. Phys., 2019,21, 5344-5358
From themed collection: 2018 PCCP HOT Articles

Abstract

Electronic relaxation, proton transfer and instantaneous vibrational frequency change after the impulsive excitation by a deep ultraviolet 9 fs pulse were studied.


Assessing relative humidity dependent photoacoustics to retrieve mass accommodation coefficients of single optically trapped aerosol particles


Matus E. Diveky, Sandra Roy, Johannes W. Cremer, Grégory David and Ruth Signorell
Phys. Chem. Chem. Phys., 2019,21, 4721-4731
From themed collection: 2018 PCCP HOT Articles

Abstract

Photoacoustic spectroscopy is a standout technique widely used for absorption measurements of atmospheric aerosols. Here we investigate the relative humidity dependence of photoacoustics and its implication for evaporation kinetics.


Hydrogen adsorption on transition metal carbides: a DFT study


Fabrizio Silveri, Matthew G. Quesne, Alberto Roldan, Nora H. de Leeuw and C. Richard A. Catlow
Phys. Chem. Chem. Phys., 2019,21, 5335-5343
From themed collection: 2019 PCCP HOT Articles

Abstract

This work investigates the hydrogenation of the surfaces of those materials and its relationship with the catalytic behaviour of these materials.


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New developments in RiPP discovery, enzymology and engineering


Manuel Montalbán-López, Thomas A. Scott, Sangeetha Ramesh, Imran R. Rahman, Auke J. van Heel, Jakob H. Viel, Vahe Bandarian, Elke Dittmann, Olga Genilloud, Yuki Goto, María José Grande Burgos, Colin Hill, Seokhee Kim, Jesko Koehnke, John A. Latham, A. James Link, Beatriz Martínez, Satish K. Nair, Yvain Nicolet, Sylvie Rebuffat, Hans-Georg Sahl, Dipti Sareen, Eric W. Schmidt, Lutz Schmitt, Konstantin Severinov, Roderich D. Süssmuth, Andrew W. Truman, Huan Wang, Jing-Ke Weng, Gilles P. van Wezel, Qi Zhang, Jin Zhong, Jörn Piel, Douglas A. Mitchell, Oscar P. Kuipers and Wilfred A. van der Donk
Nat. Prod. Rep., 2021,38, 130-239

Abstract

This review provides a comprehensive update of the advances in discovery, biosynthesis, and engineering of ribosomally-synthesized and post-translationally modified peptides (RiPPs).


Reversible switching of the Au(111) work function by near infrared irradiation with a bistable SAM based on a radical donor–acceptor dyad


Valentin Diez-Cabanes, Andrés Gómez, Manuel Souto, Nerea González-Pato, Jérôme Cornil, Jaume Veciana and Imma Ratera
J. Mater. Chem. C, 2019,7, 7418-7426
From themed collection: Recent Open Access Articles

Abstract

We describe the reversible modification of the Au(111) work function by near infrared irradiation with a bistable SAM.


Effects of substituents on luminescent efficiency of stable triaryl methyl radicals


Shengzhi Dong, Wei Xu, Haoqing Guo, Wenfu Yan, Ming Zhang and Feng Li
Phys. Chem. Chem. Phys., 2018,20, 18657-18662

Abstract

The factors affecting the photoluminescence quantum yields (PLQYs) of perchlorotriphenyl methyl (PTM) and tris(2,4,6-trichlorophenyl)methyl (TTM) radical derivatives were studied systematically for the first time.


Fabrication of PMPC/PTM/PEGDA micropatterns onto polypropylene films behaving with dual functions of antifouling and antimicrobial activities


Liu Jiang, Wancheng Zhu, Huaming Qian, Changhao Wang, Yashao Chen and Peng Liu
J. Mater. Chem. B, 2019,7, 5078-5088

Abstract

Bifunctional micropatterns on polypropylene films with excellent antifouling and antimicrobial performances were constructed by plasma activation, photomask technique and UV-initiated graft polymerization.


The semi-synthesis, biological evaluation and docking analysis of the oxime, hydrazine and hydrazide derivatives of platensimycin


Youchao Deng, Dingding Kang, Jie Shi, Wenqing Zhou, Aijun Sun, Jianhua Ju, Xiangcheng Zhu, Ben Shen, Yanwen Duan and Yong Huang
Med. Chem. Commun., 2018,9, 789-794

Abstract

A dozen stable platensimycin analogues were synthesized with strong antibacterial activities.


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