PCCP Blog

Deputy Chair Anouk Rijs has selected some outstanding research to share with you from Physical Chemistry Chemical Physics (PCCP). Read them now for free until the end of January 2021!

Professor Anouk Rijs is the chair of Analytics of Biomolecular Interactions of the Division of BioAnalytical Chemistry at the Vrije Universiteit Amsterdam (NL). She is an expert on IR action spectroscopy combined with mass spectrometry for structural characterization of biomolecules such as peptides and carbohydrates. Her work focuses predominantly on the understanding of the complex mechanism of amyloid forming polypeptides related to pathogenic neurodegenerative diseases and functional amyloids by advancing mass spectrometry and spectroscopic methods.

Submit your research to Anouk here

Read Anouk’s choices for free now:

Paper
Mapping the intrinsic absorption properties and photodegradation pathways of the protonated and deprotonated forms of the sunscreen oxybenzone
Natalie G. K. Wong, Jacob A. Berenbeim, Mathew Hawkridge, Edward Matthews and Caroline E. H. Dessent
Phys. Chem. Chem. Phys., 2019, 21, 14311-14321. DOI: 10.1039/C8CP06794E

Paper
Benchmarking a new segmented K-band chirped-pulse microwave spectrometer and its application to the conformationally rich amino alcohol isoleucinol
Mariyam Fatima, Cristóbal Pérez, Benjamin E. Arenas, Melanie Schnell and Amanda L. Steber
Phys. Chem. Chem. Phys., 2020, 22, 17042-17051. DOI: 10.1039/D0CP01141J

Perspective
Cold and controlled chemical reaction dynamics
Jutta Toscano, H. J. Lewandowski and Brianna R. Heazlewood
Phys. Chem. Chem. Phys., 2020, 22, 9180-9194. DOI: 10.1039/D0CP00931H

Paper
Spectroscopic diagnostic for the ring-size of carbohydrates in the gas phase: furanose and pyranose forms of GalNAc
Baptiste Schindler, Laurent Legentil, Abdul-Rhaman Allouche, Vincent Ferrières and Isabelle Compagnon
Phys. Chem. Chem. Phys., 2019, 21, 12460-12467. DOI: 10.1039/C8CP04082F

Paper
Differentiation of peptide isomers by excited-state photodissociation and ion–molecule interactions
Brielle L. Van Orman, Hoi-Ting Wu and Ryan R. Julian
Phys. Chem. Chem. Phys., 2020, 22, 23678-23685. DOI: 10.1039/D0CP04111D

Paper
Local dynamics of the photo-switchable protein PYP in ground and signalling state probed by 2D-IR spectroscopy of –SCN labels
Julian M. Schmidt-Engler, Larissa Blankenburg, Rene Zangl, Jan Hoffmann, Nina Morgner and Jens Bredenbeck
Phys. Chem. Chem. Phys., 2020, 22, 22963-22972. DOI: 10.1039/D0CP04307A

Perspective
How nature covers its bases
Samuel Boldissar and Mattanjah S. de Vries
Phys. Chem. Chem. Phys., 2018, 20, 9701-9716. DOI: 10.1039/C8CP01236A

We hope you enjoy reading the articles.

Associate Editor John Zhang has selected some outstanding research to share with you from Physical Chemistry Chemical Physics (PCCP). Read them now for free until the end of October 2020!

John Zhang is professor of chemistry at New York University Shanghai and Director of NYU-ECNU Center for Computational Chemistry at NYU Shanghai. His current research focuses on protein structure and dynamics, fragment quantum chemistry study of biomolecules, polarizable force field, protein-ligand interaction, protein-protein interaction, ab initio molecular dynamics study of biomolecules and computational drug design.

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Read John’s choices for free now:

Perspective
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems?
Mattia Bondanza, Michele Nottoli, Lorenzo Cupellini, Filippo Lipparini and Benedetta Mennucci
Phys. Chem. Chem. Phys., 2020, Advance Article. DOI: 10.1039/D0CP02119A

Paper
On the polarization of ligands by proteins
Soohaeng Yoo Willow, Bing Xie, Jason Lawrence, Robert S. Eisenberg and David D. L. Minh
Phys. Chem. Chem. Phys., 2020, 22, 12044-12057. DOI: 10.1039/D0CP00376J

Paper
Are 2D fingerprints still valuable for drug discovery?
Kaifu Gao, Duc Duy Nguyen, Vishnu Sresht, Alan M. Mathiowetz, Meihua Tu and Guo-Wei Wei
Phys. Chem. Chem. Phys., 2020, 22, 8373-8390. DOI: 10.1039/D0CP00305K

Paper
Impact of electronic polarizability on protein-functional group interactions
Himanshu Goel, Wenbo Yu, Vincent D. Ustach, Asaminew H. Aytenfisu, Delin Sun and Alexander D. MacKerell
Phys. Chem. Chem. Phys., 2020, 22, 6848-6860. DOI: 10.1039/D0CP00088D

Paper
How do mutations affect the structural characteristics and substrate binding of CYP21A2? An investigation by molecular dynamics simulations
Baihui Lin, Hongxing Zhang and Qingchuan Zheng
Phys. Chem. Chem. Phys., 2020, 22, 8870-8877. DOI: 10.1039/D0CP00763C

We hope you enjoy reading the articles.

Associate Editor Ron Naaman has selected some outstanding research to share with you from Physical Chemistry Chemical Physics (PCCP). Read them now for free until the end of September 2020!

Born in Israel, Professor Ron Naaman earned his BSc in 1973 from Ben-Gurion University of the Negev, and his PhD in 1978 from the Weizmann Institute of Science. He worked as a postdoctoral researcher at Stanford University in California, and spent a year in the Department of Chemistry at Harvard University. In 1981, Professor Naaman joined the Weizmann Institute. From 1989-1995, Ron chaired the Institute’s Chemical Services Unit and from 1995-2000, he headed the Department of Chemical Physics. From 2008-2010, Prof. Naaman was the Chair of the Scientific Council at the Institute. Professor Naaman is the incumbent of the Aryeh and Mintzi Katzman Professorial Chair. His research focusses on studying interaction of electrons and their spin with organic and bio-related molecules.

 Submit your research to Ron here

Read Ron’s choices for free now:

Paper
Synergies and compromises between charge and energy transfers in three-component organic solar cells
Camillo Sartorio, Giuliana Giuliano, Michelangelo Scopelliti, Valeria Vetri, Maurizio Leone and Bruno Pignataro
Phys. Chem. Chem. Phys., 2020, 22, 8344-8352. DOI: 10.1039/D0CP00336K

Paper
Electric control of magnetization in an amorphous Co–Fe–Ta–B–O film by resistive switching
Siqi Yin, Chengyue Xiong, Cheng Chen and Xiaozhong Zhang
Phys. Chem. Chem. Phys., 2020, 22, 8672-8678. DOI: 10.1039/D0CP00824A

Paper
Electric-field control of single-molecule tautomerization
Shai Mangel, Maxim Skripnik, Katharina Polyudov, Christian Dette, Tobias Wollandt, Paul Punke, Dongzhe Li, Roberto Urcuyo, Fabian Pauly, Soon Jung Jung and Klaus Kern
Phys. Chem. Chem. Phys., 2020, 22, 6370-6375. DOI: 10.1039/C9CP06868F

Paper
Electric-field-mediated magnetic properties of all-oxide CoFe₂O₄/La_0.67Sr_0.33MnO₃/Pb(Mg_1/3Nb_2/3)_0.7Ti_0.3O₃ heterostructure
Ping Wang, Chao Jin, Dong Li, Yuchen Wang, Shasha Liu, Xinyue Wang, Xin Pang, Dongxing Zheng, Wanchao Zheng, Rongkun Zheng and Haili Bai
Phys. Chem. Chem. Phys., 2020, 22, 12651-12657. DOI: 10.1039/D0CP01374A

We hope you enjoy reading the articles.

Associate Editor Luis Bañares has selected some outstanding research to share with you from Physical Chemistry Chemical Physics (PCCP). Read them now for free until the end of August 2020!

Professor Luis Bañares is Chair of Physical Chemistry and Director of the Centre for Ultrafast Lasers at Universidad Complutense de Madrid (UCM), Spain. His research interests are related to experimental and theoretical chemical reaction dynamics and femtochemistry. His work focuses on the understanding of fundamental chemical reactions and photodissociation processes at a molecular level.

Submit your research to Luis here

Read Luis’s choices for free now:

Paper
State-to-state photodissociation dynamics of CO₂ around 108 nm: the O(¹S) atom channel
Jiami Zhou, Zijie Luo, Jiayue Yang, Yao Chang, Zhiguo Zhang, Yong Yu, Qinming Li, Gongkui Cheng, Zhichao Chen, Zhigang He, Li Che, Shengrui Yu, Guorong Wu, Kaijun Yuan and  Xueming Yang
Phys. Chem. Chem. Phys., 2020, 22, 6260-6265. DOI: 10.1039/C9CP06919D

Paper
Formation of highly excited iodine atoms from multiphoton excitation of CH₃I
Kristján Matthíasson, Greta Koumarianou, Meng-Xu Jiang, Pavle Glodic, Peter C. Samartzis and Ágúst Kvaran
Phys. Chem. Chem. Phys., 2020, 22, 4984-4992. DOI: 10.1039/C9CP06242D

Paper
Laser-induced alignment dynamics of gas phase CS₂ dimers
Adam S. Chatterley, Mia O. Baatrup, Constant A. Schouder and Henrik Stapelfeldt
Phys. Chem. Chem. Phys., 2020, 22, 3245-3253. DOI: 10.1039/C9CP06260B

Paper
Photoelectron spectroscopy of boron-containing reactive intermediates using synchrotron radiation: BH₂, BH, and BF
P. Mukhopadhyay, D. Schleier, I. Fischer, J.-C. Loison, C. Alcaraz and G. A. Garcia
Phys. Chem. Chem. Phys., 2020, 22, 1027-1034. DOI: 10.1039/C9CP06010C

Paper
Time-resolved formation of excited atomic and molecular states in XUV-induced nanoplasmas in ammonia clusters
Rupert Michiels, Aaron C. LaForge, Matthias Bohlen, Carlo Callegari, Andrew Clark, Aaron von Conta, Marcello Coreno, Michele Di Fraia, Marcel Drabbels, Paola Finetti, Martin Huppert, Veronica Oliver, Oksana Plekan, Kevin C. Prince, Stefano Stranges, Vít Svoboda, Hans Jakob Wörner and Frank Stienkemeier
Phys. Chem. Chem. Phys., 2020, 22, 7828-7834. DOI: 10.1039/D0CP00669F

We hope you enjoy reading the articles.

The Gordon F. Kirkbright bursary award is a prestigious annual award that assists a promising early career scientist of any nation to attend a recognised scientific meeting or visit a place of learning. The fund for this bursary was established in 1985 as a memorial to Professor Gordon Kirkbright in recognition of his contributions to analytical spectroscopy and to science in general.

Owing to the generosity of one of our former trustees, an eminent atomic spectroscopist, Professor Edward B.M. Steers, we are now, from 2020, in the position of being able to award an annual Edward Steers bursary, in addition to the long standing Gordon Kirkbright bursary, to similarly assist a promising early scientist engaged in or utilising analytical spectroscopic techniques.

The ABS Trust defines early career as being either a student, or an employee in a non-tenured academic post or in industry, within 7 years of award of PhD excluding career breaks. The same conditions apply to each bursary.

Applications are invited for both the 2021 Gordon Kirkbright Bursary and the 2021 Edward Steers Bursary.  Although both funds are administered by the ABS Trust, the Kirkbright award is not restricted to spectroscopists, but is open to all involved with or utilising analytical science-based techniques.

Application Forms can be downloaded via:

http://www.abstrust.org/kirkbright-and-steers-bursary-awards

or for further information visit:

http://www.abstrust.org/ or contact abstrustuk@gmail.com

The closing date for entries is 30 November 2020.