Oleg Borodin

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19 Jul 15:07

[ASAP] Surface-Engineered PtNi-O Nanostructure with Record-High Performance for Electrocatalytic Hydrogen Evolution Reaction

by Zipeng Zhao, Haotian Liu, Wenpei Gao, Wang Xue, Zeyan Liu, Jin Huang, Xiaoqing Pan, Yu Huang

TOC Graphic

Journal of the American Chemical Society
DOI: 10.1021/jacs.8b04770
18 Jul 20:48

Controlling an organic synthesis robot with machine learning to search for new reactivity

by Jarosław M. Granda

Controlling an organic synthesis robot with machine learning to search for new reactivity

Controlling an organic synthesis robot with machine learning to search for new reactivity, Published online: 18 July 2018; doi:10.1038/s41586-018-0307-8

A robot instructed by a machine learning algorithm and coupled with real-time spectroscopic systems provides fast and accurate reaction outcome predictions and reactivity assessments, leading to the discovery of new reactions.
18 Jul 18:12

Ethynyl-bridged porphyrin-corrole dyads and triads: Synthesis, properties and DFT calculations

Publication date: 23 August 2018

Source: Tetrahedron, Volume 74, Issue 34

Author(s): Baris Temelli, Mine Gündüz, Dilek Yüksel

Abstract

Ethynyl-bridged porphyrin-corrole dyads and triads were synthesized by using Pd(0) mediated coupling reactions and their structures were characterized by NMR, FT-IR, UV/Vis and fluorescence techniques. Besides spectroscopic techniques, computational studies at B3LYP/6-311G(d,p) level of DFT were also used to elucidate the minimum energy geometries and the molecular orbital characteristics of the new dyads and triads. DFT calculations pointed out the presence of charge separated donor-acceptor property between macrocycles of dyads and triads, and the emission studies indicated an excited state interaction between macrocycles, and energy transfer from the porphyrin to the corrole unit.

Graphical abstract

Image 1

18 Jul 16:41

Non-flammable electrolyte enables Li-metal batteries with aggressive cathode chemistries

by Xiulin Fan

Non-flammable electrolyte enables Li-metal batteries with aggressive cathode chemistries

Non-flammable electrolyte enables Li-metal batteries with aggressive cathode chemistries, Published online: 16 July 2018; doi:10.1038/s41565-018-0183-2

A fluorinated electrolyte forms a few-nanometre-thick interface both at the anode and the cathode that stabilizes lithium-metal battery operation with high-voltage cathodes.
18 Jul 13:22

Bistable and photoswitchable states of matter

by Brady T. Worrell

Bistable and photoswitchable states of matter

Bistable and photoswitchable states of matter, Published online: 18 July 2018; doi:10.1038/s41467-018-05300-7

Polymers cross-linked with dynamic bonds can switch the phase from solid to fluid upon stimulus but return quickly to the solid state once the stimulus is removed. Here the authors report a light triggered permanent solid to fluid transition at room temperature with inherent spatiotemporal control in either direction
17 Jul 14:23

[ASAP] Mixed-Valence Superstructure Assembled from a Mixed-Valence Host–Guest Complex

by Zhichang Liu, Marco Frasconi, Wei-Guang Liu, Yu Zhang, Scott M. Dyar, Dengke Shen, Amy A. Sarjeant, William A. Goddard III, Michael R. Wasielewski, J. Fraser Stoddart

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Journal of the American Chemical Society
DOI: 10.1021/jacs.8b05322
17 Jul 14:22

[ASAP] Supramolecular Regulation of Anions Enhances Conductivity and Transference Number of Lithium in Liquid Electrolytes

by Bo Qiao, Graham M. Leverick, Wei Zhao, Amar H. Flood, Jeremiah A. Johnson, Yang Shao-Horn

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Journal of the American Chemical Society
DOI: 10.1021/jacs.8b05915
17 Jul 08:01

Dissipative adaptation in driven self-assembly leading to self-dividing fibrils

by Esra te Brinke

Dissipative adaptation in driven self-assembly leading to self-dividing fibrils

Dissipative adaptation in driven self-assembly leading to self-dividing fibrils, Published online: 16 July 2018; doi:10.1038/s41565-018-0192-1

Protein fibrils grow and divide inside a coacervate compartment in response to the local concentration of a fuel.
17 Jul 08:00

Concerted nucleophilic aromatic substitutions

by Eugene E. Kwan

Concerted nucleophilic aromatic substitutions

Concerted nucleophilic aromatic substitutions, Published online: 16 July 2018; doi:10.1038/s41557-018-0079-7

Nucleophilic aromatic substitution reactions have long been thought to occur primarily via stepwise mechanisms. New and sensitive methodology for measuring carbon kinetic isotope effects now shows that most such substitutions actually occur through concerted mechanisms.
17 Jul 07:59

[ASAP] Electronic and Steric Tuning of Catalytic H2 Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands

by Ping Wang, Guangchao Liang, M. Ramana Reddy, Melissa Long, Kandria Driskill, Christian Lyons, Bruno Donnadieu, John C. Bollinger, Charles Edwin Webster, Xuan Zhao

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Journal of the American Chemical Society
DOI: 10.1021/jacs.8b05108
15 Jul 21:36

Multiscale porous molybdenum phosphide of honeycomb structure for highly efficient hydrogen evolution

Nanoscale, 2018, 10,14594-14599
DOI: 10.1039/C8NR04246B, Paper
Mengjie Hou, Xue Teng, Jianying Wang, Yangyang Liu, Lixia Guo, Lvlv Ji, Chuanwei Cheng, Zuofeng Chen
Molybdenum phosphide supported on multiscale porous honeycomb carbon was synthesized for highly efficient hydrogen evolution.
The content of this RSS Feed (c) The Royal Society of Chemistry
15 Jul 21:34

Nitrogen-rich 1T′-MoS2 layered nanostructures using alkyl amines for high catalytic performance toward hydrogen evolution

Nanoscale, 2018, 10,14726-14735
DOI: 10.1039/C8NR03661F, Paper
In Hye Kwak, Ik Seon Kwon, Hafiz Ghulam Abbas, Gabin Jung, Yeron Lee, Tekalign Terfa Debela, Seung Jo Yoo, Jin-Gyu Kim, Jeunghee Park, Hong Seok Kang
We report nitrogen-rich 1T′ phase MoS2 layered nanostructures using different alkyl amines as intercalants, with first-principles calculations.
The content of this RSS Feed (c) The Royal Society of Chemistry
15 Jul 21:27

Ultrafine Co Nanoparticles Encapsulated in Carbon‐Nanotubes‐Grafted Graphene Sheets as Advanced Electrocatalysts for the Hydrogen Evolution Reaction

by Ziliang Chen , Renbing Wu , Yang Liu , Yuan Ha , Yanhui Guo , Dalin Sun , Miao Liu , Fang Fang
Advanced Materials, July 2018.
15 Jul 11:23

A plausible model correlates prebiotic peptide synthesis with the primordial genetic code

Chem. Commun., 2018, 54,8598-8601
DOI: 10.1039/C8CC04767G, Communication
Jianxi Ying, Songsen Fu, Xin Li, Liubin Feng, Pengxiang Xu, Yan Liu, Xiang Gao, Yufen Zhao
The analogs of 5′-aa-AMPs, namely nucleotide amidates (aa-N-NMPs), obtained under Hadean conditions. B = base.
The content of this RSS Feed (c) The Royal Society of Chemistry
15 Jul 10:57

Synthesis of Hierarchical 4H/fcc Ru Nanotubes for Highly Efficient Hydrogen Evolution in Alkaline Media

by Qipeng Lu , An‐Liang Wang , Hongfei Cheng , Yue Gong , Qinbai Yun , Nailiang Yang , Bing Li , Bo Chen , Qinghua Zhang , Yun Zong , Lin Gu , Hua Zhang
Small, EarlyView.
15 Jul 09:56

Metal-free three-dimensional perovskite ferroelectrics

by Ye, H.-Y., Tang, Y.-Y., Li, P.-F., Liao, W.-Q., Gao, J.-X., Hua, X.-N., Cai, H., Shi, P.-P., You, Y.-M., Xiong, R.-G.

Inorganic perovskite ferroelectrics are widely used in nonvolatile memory elements, capacitors, and sensors because of their excellent ferroelectric and other properties. Organic ferroelectrics are desirable for their mechanical flexibility, low weight, environmentally friendly processing, and low processing temperatures. Although almost a century has passed since the first ferroelectric, Rochelle salt, was discovered, examples of highly desirable organic perovskite ferroelectrics are lacking. We found a family of metal-free organic perovskite ferroelectrics with the characteristic three-dimensional structure, among which MDABCO (N-methyl-N'-diazabicyclo[2.2.2]octonium)–ammonium triiodide has a spontaneous polarization of 22 microcoulombs per square centimeter [close to that of barium titanate (BTO)], a high phase transition temperature of 448 kelvins (above that of BTO), and eight possible polarization directions. These attributes make it attractive for use in flexible devices, soft robotics, biomedical devices, and other applications.

14 Jul 22:32

Machine learning meets volcano plots: computational discovery of cross-coupling catalysts

Chem. Sci., 2018, 9,7069-7077
DOI: 10.1039/C8SC01949E, Edge Article
Open Access Open Access
Benjamin Meyer, Boodsarin Sawatlon, Stefan Heinen, O. Anatole von Lilienfeld, Clémence Corminboeuf
The application of modern machine learning to challenges in atomistic simulation is gaining attraction.
The content of this RSS Feed (c) The Royal Society of Chemistry
14 Jul 22:23

Dynamic Behavior of Covalent Organic Cages

by KosukeOno , NobuharuIwasawa
Chemistry – A European Journal, EarlyView.
14 Jul 22:10

Synthesis of Triply Fused Porphyrin‐Nanographene Conjugates

by QiangChen , LuigiBrambilla , LakshyaDaukiya , Kunal S.Mali , Steven DeFeyter , MatteoTommasini , KlausMüllen , AkimitsuNarita
Angewandte Chemie International Edition, EarlyView.
14 Jul 22:04

A Molecular Ferroelectric Showing Room‐Temperature Record Fast Switching of Spontaneous Polarization

by Prof. Zhihua Sun , Xianfeng Yi , Kewen Tao , Chengmin Ji , Xitao Liu , Dr. Lina Li , Shiguo Han , Prof. Anmin Zheng , Prof. Maochun Hong , Prof. Junhua Luo
Angewandte Chemie International Edition, EarlyView.
13 Jul 21:48

[ASAP] Conversion of Imine to Oxazole and Thiazole Linkages in Covalent Organic Frameworks

by Peter J. Waller, Yasmeen S. AlFaraj, Christian S. Diercks, Nanette N. Jarenwattananon, Omar M. Yaghi

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Journal of the American Chemical Society
DOI: 10.1021/jacs.8b05830
13 Jul 21:32

[ASAP] Simplest MOF Units for Effective Photodriven Hydrogen Evolution Reaction

by Ting Liao, Liangzhi Kou, Aijun Du, Yuantong Gu, Ziqi Sun

TOC Graphic

Journal of the American Chemical Society
DOI: 10.1021/jacs.8b04599
13 Jul 21:23

The bonds that set a sugar’s sweetness

The bonds that set a sugar’s sweetness

The bonds that set a sugar’s sweetness, Published online: 10 July 2018; doi:10.1038/d41586-018-05593-0

Hydrogen bonds between sugar and nearby molecules help to determine the level of sweetness.
13 Jul 16:34

Positive and negative regulation of carbon nanotube catalysts through encapsulation within macrocycles

by Matías Blanco

Positive and negative regulation of carbon nanotube catalysts through encapsulation within macrocycles

Positive and negative regulation of carbon nanotube catalysts through encapsulation within macrocycles, Published online: 10 July 2018; doi:10.1038/s41467-018-05183-8

Doping carbon nanomaterials with heteroatoms is the most common way to change their catalytic activity. Here, the authors show that the catalytic properties of single-walled carbon nanotubes can be modified by non-covalently encapsulating them within electron-accepting or electron-donating macrocycles to form rotaxane-like structures.
13 Jul 16:23

The Chaotropic Effect as an Assembly Motif in Chemistry

by Werner M.Nau , KhaleelAssaf
Angewandte Chemie International Edition, EarlyView.
08 Jul 07:35

β‐Cyclodextrin Covalent Organic Framework for Selective Molecular Adsorption

by Dr. Ren‐Qi Wang , Xue‐Bing Wei , Prof. Dr. Yu‐Qi Feng
Chemistry – A European Journal, EarlyView.
08 Jul 07:32

A Phenylene‐Bridged Cyclohexa‐meta‐phenylene as Hexa‐peri‐hexabenzocoronene Precursor

by Bastian Dumslaff , Dr. Manfred Wagner , Dr. Dieter Schollmeyer , Dr. Akimitsu Narita , Prof. Dr. Klaus Müllen
Chemistry – A European Journal, EarlyView.
08 Jul 07:32

Post‐Assembly Reactivity of N‐Aryl Iminoboronates: Reversible Radical Coupling and Unusual B−N Dynamic Covalent Chemistry

by EvanKeyzer , AlexandruSava , TanyaRonson , JonathanNitschke , AnnaMcConnell
Chemistry – A European Journal, EarlyView.
04 Jul 20:35

[ASAP] Designing Algorithms To Aid Discovery by Chemical Robots

by Alon B. Henson, Piotr S. Gromski, Leroy Cronin

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ACS Central Science
DOI: 10.1021/acscentsci.8b00176
03 Jul 22:03

[ASAP] Controlled Tuning of the Properties in Optoelectronic Self-Sorted Gels

by Emily R. Cross, Stephen Sproules, Ralf Schweins, Emily R. Draper, Dave J. Adams

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Journal of the American Chemical Society
DOI: 10.1021/jacs.8b05359