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Chemical Science
Journal Prestige (SJR): 4.508

Citation Impact (citeScore): 9
Number of Followers: 31

This is an Open Access Journal

Open Access journal
ISSN (Print) 1478-6524 - ISSN (Online) 2041-6520
Published by RSC

[46 journals]

Monitoring NAD(P)H by an ultrasensitive fluorescent probe to reveal
reductive stress induced by natural antioxidants in HepG2 cells under
hypoxia
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02020A, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Xiaohong Pan, Yuehui Zhao, Tingting Cheng, Aishan Zheng, Anbin Ge, Lixin Zang, Kehua Xu, Bo Tang
  Reductive stress, the opposite of oxidative stress, represents a disorder in the redox balance state that is harmful to biological systems. For decades, the role of oxidative stress in tumor therapy...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Prostate-specific membrane antigen targeted gold nanoparticles for
prostate cancer radiotherapy: does size matter for targeted particles'
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02290B, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Dong Luo, Xinning Wang, Sophia Zeng, Gopalakrishnan Ramamurthy, Clemens Burda, James P. Basilion
  Prostate-Specific Membrane Antigen (PSMA) targeted radiosensitizers are developed for prostate cancer CT imaging and radiotherapy based on gold nanoparticles and a high-affinity targeting peptide, PSMA-1, revealing a size-dependent pattern.
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Cruciform Phthalocyanine Pentad-based NIR-II Photothermal Agent for Highly
Efficient Tumor Ablation
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02674F, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Houhe Pan, Shukun Li, Jinlan Kan, Lei Gong, Chenxiang Lin, Wenping Liu, Dongdong Qi, Kang Wang, Xuehai Yan, Jianzhuang Jiang
  Photothermal therapy in the second near-infrared window (NIR-II, 1000-1700 nm) exhibits significant advantage over the first near-infrared window (NIR-I, 650-950 nm) in terms of both maximum permissible exposure (MPE) and...
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Discovery of selective, antimetastatic and anti-cancer stem cell
metallohelices via post-assembly modification
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02651G, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Hualong Song, Nicola J. Rogers, Simon S Allison, Viktor Brabec, Hannah Bridgewater, Hana Kostrhunova, Lenka Markova, Roger M Phillips, Emma Pinder, Samantha Shepherd, Lawrence Young, Juraj Zajac, Peter Scott
  Helicates and related metallofoldamers, synthesised by dynamic self-assembly, represent an area of chemical space inaccessible by traditional organic synthesis, and yet with potential for discovery of new classes of drug....
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Conceptual similarities between zeolites and artificial enzymes
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02477H, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Eva M. Gallego, Cecilia Paris, Ángel Cantín, Manuel Moliner, Avelino Corma
  Inspired by artificial enzymes, we have designed zeolites acting as scaffolds for a given Diels–Alder reaction using mimics of the reaction transition state.
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Kinetic hydricity of silane hydrides in the gas phase
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02118C, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jiahui Xu, Allison E. Krajewski, Yijie Niu, G. S. M. Kiruba, Jeehiun K. Lee
  Gas-phase experimental and computational methods reveal unknown intrinsic hydricity/nucleophilicity and electrophilicity parameters.
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In situ real-time tracing of hierarchical targeting nanostructures in drug
resistant tumors using diffuse fluorescence tomography
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC01841G, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Qianqian Guo, Yangyun Wang, Limin Zhang, Peng Zhang, Yunjian Yu, Yanqi Zhang, Chaoxing Li, Shaoyi Jiang, Xinge Zhang
  Nanoparticles that respond to specific endogenous or exogenous stimuli in tumor tissues are actively being developed to address multidrug resistance owing to multiple advantages, including a prolonged circulation time, enhanced permeability and retention effect, and superior cellular uptake.
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Living supramolecular polymerization based on reversible deactivation of a
monomer by using a ‘dummy’ monomer
- Abstract: Chem. Sci., 2019, 10,6770-6776
  
  DOI : 10.1039/C9SC02151E, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Tomoya Fukui, Norihiko Sasaki, Masayuki Takeuchi, Kazunori Sugiyasu
  New method of living supramolecular polymerization is demonstrated. Spontaneous nucleation of a reactive monomer is suppressed by using a ‘dummy’ monomer. Addition of seeds can initiate supramolecular polymerization in a chain-growth manner.
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Observation of osmotically driven, highly controllable and reconfigurable
oil/water phase separation
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC01649J, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Ning Gao, Jiecheng Cui, Wanlin Zhang, Kai Feng, Yun Liang, Shiqiang Wang, Peng Wang, Kang Zhou, Guangtao Li
  Osmotically driven, highly controllable and reconfigurable water–oil phase separation was achieved for the first time using ionic liquid systems.
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Interplay between spin-crossover and luminescence in a multifunctional
single crystal iron(II) complex: towards a new generation of molecular
sensors
- Abstract: Chem. Sci., 2019, 10,6791-6798
  
  DOI : 10.1039/C9SC02331C, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Bouabdellah Benaicha, Khanh Van Do, Aymen Yangui, Narsimhulu Pittala, Alain Lusson, Mouhamadou Sy, Guillaume Bouchez, Houcem Fourati, Carlos J. Gómez-García, Smail Triki, Kamel Boukheddaden
  Multifunctional mononuclear iron(II) complex coordinated with six phosphorescent ligands exhibiting correlated spin-crossover transition and enhanced fluorescence.
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Hydroalkynylative cyclization of 1,6-enynes with terminal alkynes
- Abstract: Chem. Sci., 2019, 10,6863-6867
  
  DOI : 10.1039/C9SC02341K, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Qi Teng, Nuligonda Thirupathi, Chen-Ho Tung, Zhenghu Xu
  A rhodium-catalyzed highly regio- and enantioselective hydroalkynylation generating cis-hydrobenzofuranone-tethered enynes has been developed. The reaction proceeds with a dynamic kinetic head-to-head insertion and symmetry breaking Michael addition cascade.
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A remarkably strained cyclopyrenylene trimer that undergoes metal-free
direct oxygen insertion into the biaryl C–C σ-bond
- Abstract: Chem. Sci., 2019, 10,6785-6790
  
  DOI : 10.1039/C9SC01777A, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Ryo Kurosaki, Hironobu Hayashi, Mitsuharu Suzuki, Julong Jiang, Miho Hatanaka, Naoki Aratani, Hiroko Yamada
  A remarkably strained cyclopyrenylene trimer was synthesized and it underwent the first biaryl C–C σ-bond cleavage with 1O2.
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Hammett neural networks: prediction of frontier orbital energies of
tungsten–benzylidyne photoredox complexes
- Abstract: Chem. Sci., 2019, 10,6844-6854
  
  DOI : 10.1039/C9SC02339A, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Alexander M. Chang, Jessica G. Freeze, Victor S. Batista
  The successful application of Hammett parameters as input features for regressive machine learning models is demonstrated and applied to predict energies of frontier orbitals of highly reducing tungsten–alkylidyne complexes of the form W(CArR)L4X.
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Combinatorial design of multimeric chelating peptoids for selective metal
coordination
- Abstract: Chem. Sci., 2019, 10,6834-6843
  
  DOI : 10.1039/C9SC01068H, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Abel Ricano, Ilya Captain, Korey P. Carter, Bryan P. Nell, Gauthier J.-P. Deblonde, Rebecca J. Abergel
  The combinatorial synthesis of a new library of tetrameric peptoid ligands is introduced, enabling coordination and characterization of f-block metals.
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Electronic transitions of molecules: vibrating Lewis structures
- Abstract: Chem. Sci., 2019, 10,6809-6814
  
  DOI : 10.1039/C9SC02534K, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Yu Liu, Philip Kilby, Terry J. Frankcombe, Timothy W. Schmidt
  A partitioning of the wavefunction into tiles allows electronic excitations to be viewed as electron vibrations.
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Practical, metal-free remote heteroarylation of amides via unactivated
C(sp3)–H bond functionalization
- Abstract: Chem. Sci., 2019, 10,6915-6919
  
  DOI : 10.1039/C9SC02564B, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Nana Tang, Xinxin Wu, Chen Zhu
  A simple and practical approach for the regioselective heteroarylation of amides via unactivated C(sp3)–H bond functionalization is described.
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Isolated α-turn and incipient γ-helix
- Abstract: Chem. Sci., 2019, 10,6908-6914
  
  DOI : 10.1039/C9SC01683J, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Fatemeh M. Mir, Marco Crisma, Claudio Toniolo, William D. Lubell
  The unique abilities of homo-oligo-adamantyl peptides to adopt α- and γ-turn conformations are demonstrated by X-ray diffraction, and NMR and FT-IR absorption spectroscopies.
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Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into
a two-electron intramolecular process, and structural characterisation of
mixed-valent Ti(III)/Ti(IV) products
- Abstract: Chem. Sci., 2019, 10,6886-6898
  
  DOI : 10.1039/C9SC01241A, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Tobias Krämer, Floriana Tuna, Sebastian. D. Pike
  The photo-reactivity of titanium-oxo clusters is investigated, revealing an intramolecular, solvent assisted, two-electron redox process that generates blue-coloured Ti(III)/Ti(IV) clusters.
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Deciphering and quantifying linear light upconversion in molecular erbium
complexes
- Abstract: Chem. Sci., 2019, 10,6876-6885
  
  DOI : 10.1039/C9SC02068C, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Bahman Golesorkhi, Alexandre Fürstenberg, Homayoun Nozary, Claude Piguet
  Single-center linear excited state absorption (ESA) can be implemented in isolated mononuclear erbium(III) coordination complexes, thus fixing the zero-level of quantum yields for lanthanide-based molecular light upconversion.
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S8-Catalyzed triple cleavage of bromodifluoro compounds for the assembly
of N-containing heterocycles
- Abstract: Chem. Sci., 2019, 10,6828-6833
  
  DOI : 10.1039/C9SC01333D, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Shuilin Deng, Haohua Chen, Xingxing Ma, Yao Zhou, Kai Yang, Yu Lan, Qiuling Song
  An unprecedented S8-catalyzed selective triple-cleavage of bromodifluoroacetamides is disclosed for the first time.
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Chemical strategies to modify amyloidogenic peptides using iridium(III)
complexes: coordination and photo-induced oxidation
- Abstract: Chem. Sci., 2019, 10,6855-6862
  
  DOI : 10.1039/C9SC00931K, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Juhye Kang, Jung Seung Nam, Hyuck Jin Lee, Geewoo Nam, Hyun-Woo Rhee, Tae-Hyuk Kwon, Mi Hee Lim
  Effective chemical strategies, i.e., coordination and coordination-/photo-mediated oxidation, are rationally developed towards modification of amyloidogenic peptides and subsequent control of their aggregation and toxicity.
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A structure–property study of fluoranthene-cored hole-transporting
materials enables 19.3% efficiency in dopant-free perovskite solar cells
- Abstract: Chem. Sci., 2019, 10,6899-6907
  
  DOI : 10.1039/C9SC01697J, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Xianglang Sun, Fei Wu, Cheng Zhong, Linna Zhu, Zhong'an Li
  A systematic structure–property correlation study was conducted to preliminarily elucidate an inherent regularity governing the structure of dopant-free HTMs.
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Boosting the circularly polarized luminescence of small organic molecules
via multi-dimensional morphology control
- Abstract: Chem. Sci., 2019, 10,6821-6827
  
  DOI : 10.1039/C9SC01577A, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kai Ma, Wenjie Chen, Tifeng Jiao, Xue Jin, Yutao Sang, Dong Yang, Jin Zhou, Minghua Liu, Pengfei Duan
  By regulating the composition of solvents, the assembled nanostructures of chiral molecules transformed from 0D nanospheres to 3D nanoflakes, which showed significantly amplified circularly polarized luminescence.
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Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and
- Abstract: Chem. Sci., 2019, 10,6868-6875
  
  DOI : 10.1039/C9SC01701A, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Kai Schwedtmann, Jan Haberstroh, Sven Roediger, Antonio Bauzá, Antonio Frontera, Felix Hennersdorf, Jan J. Weigand
  Tetracationic cyclo-tetraphosphane [(LC)4P4]4+ as triflate salt (LC = 4,5-dimethyl-1,3-diisopropyl-imidazol-2-yl) is obtained from the reduction of [LCPCl2]+ with 1,4-bis(trimethylsilyl)-1,4-dihydropyrazine and represents the first salt of the cationic cyclo-phosphane series with the general formula [LnPn]n+.
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Dual resonance energy transfer in triple-component polymer dots to enhance
electrochemiluminescence for highly sensitive bioanalysis
- Abstract: Chem. Sci., 2019, 10,6815-6820
  
  DOI : 10.1039/C9SC01570A, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ningning Wang, Ziyu Wang, Lizhen Chen, Weiwei Chen, Yiwu Quan, Yixiang Cheng, Huangxian Ju
  A dual intramolecular electrochemiluminescence resonance energy transfer process is proposed with triple-component Pdots to enhance ECL emission, which greatly improves the ECL efficiency and can be used for sensitive and specific visual quantification of different targets.
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Exploring the dual functionality of an ytterbium complex for luminescence
thermometry and slow magnetic relaxation
- Abstract: Chem. Sci., 2019, 10,6799-6808
  
  DOI : 10.1039/C9SC00343F, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Gabriel Brunet, Riccardo Marin, Melissa-Jane Monk, Ute Resch-Genger, Diogo A. Gálico, Fernando A. Sigoli, Elizaveta A. Suturina, Eva Hemmer, Muralee Murugesu
  A combined experimental and theoretical approach reveals the intricacies related to an YbIII complex, which functions dually as a SMM and a luminescent thermometer.
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Efficiency vs. stability: dopant-free hole transporting materials towards
stabilized perovskite solar cells
- Abstract: Chem. Sci., 2019, 10,6748-6769
  
  DOI : 10.1039/C9SC01184F, Minireview Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kasparas Rakstys, Cansu Igci, Mohammad Khaja Nazeeruddin
  Doping of hole transporting materials typically increases the efficiency of perovskite solar cells but remains questionable for overall device stability.
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Conversion of two stereocenters to one or two chiral axes: atroposelective
synthesis of 2,3-diarylbenzoindoles
- Abstract: Chem. Sci., 2019, 10,6777-6784
  
  DOI : 10.1039/C9SC00810A, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Yu-Long Hu, Zhe Wang, Hui Yang, Jie Chen, Zi-Bo Wu, Yibo Lei, Ling Zhou
  Central-to-axial chirality conversion provides efficient access to axially chiral compounds, and several examples regarding the conversion of one, two or four stereocenters to one axis have been reported.
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Fluoro-electrochemical Microscopy reveals Group Specific Differential
Susceptibility of Phytoplankton towards Oxidative Damage
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02699A, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Minjun Yang, Christopher Batchelor-McAUley, Lifu Chen, Yanjun Guo, Qiong Zhang, Rosalind Rickaby, Heather Bouman, Richard G Compton
  In the vicinity of an electrode creating a highly oxidising environment the fluorescence – arising from the presence of chlorophyll-a – of single cellular phytoplankton becomes inhibited. Even for phytoplankton...
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Highly efficient electroconversion of carbon dioxide into hydrocarbons by
cathodized copper–organic frameworks
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02605C, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Fan Yang, Aling Chen, Pei Lin Deng, Yinzheng Zhou, Zaman Shahid, Hongfang Liu, Bao Yu Xia
  Cathodized Cu-MOFs (Cu–ade MOFs) exhibit structural evolution and contribute to efficient electrochemical CO2 reduction towards hydrocarbon generation.
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Investigation of GTP-Dependent Dimerization of G12X K-Ras Variants Using
Ultraviolet Photodissociation Mass Spectrometry
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC01032G, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.M. Rachel Mehaffey, Christopher L Schardon, Elisa T Novelli, Michael B Cammarata, Lauren J. Webb, Walt Fast, Jennifer S Brodbelt
  Mutations in the GTPase enzyme K-Ras, specifically at codon G12, remain the most common genetic alterations in human cancers. The mechanisms governing activation of downstream signaling pathways and how they...
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Establishing Lignin Structure-Upgradeability Relationships Using
Quantitative 1H-13C Heteronuclear Single Quantum Coherence Nuclear
Magnetic Resonance (HSQC-NMR) Spectroscopy
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02088H, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Masoud Talebi Amiri, Stefania Bertella, Ydna Questell-Santiago, Jeremy Luterbacher
  Lignin depolymerization could provide an attractive renewable aromatic feedstock for the chemical industry. Past studies have suggested that lignin structural features such as ether content are correlated to lignin’s upgradeability....
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Oxygen atom transfer with organofunctionalized polyoxovanadium clusters:
O-atom vacancy formation with tertiary phosphines and deoxygenation of
styrene oxide
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02882J, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Brittney E Petel, Rachel L Meyer, William W. Brennessel, Ellen Matson
  We report a rare example of oxygen atom transfer (OAT) from a polyoxometalate cluster to a series of tertiary phosphanes. Addition of PR3 (PR3 = PMe3, PMe2Ph, PMePh2, PPh3) to...
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A Review of Biomass Materials for Advanced Lithium Sulfur Batteries
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02743B, Perspective Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Huadong Yuan, Tiefeng Liu, Yujing Liu, Jianwei Nai, Yao Wang, Wenkui Zhang, Xinyong Tao
  High energy density and low cost make lithium sulfur (Li-S) batteries famous in the field of energy storage system. However, the advancement of Li-S batteries is evidently hindered by notorious...
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Bis(imino)pyridine iron complexes for catalytic carbene transfer reactions
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02189B, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ban Wang, Isaac G. Howard, Jackson W. Pope, Eric D. Conte, Yongming Deng
  The bis(imino)pyridine iron complex, for the first time, is developed as an effective metal carbene catalyst for carbene transfer reactions of donor–acceptor diazo compounds.
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The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a
unique dinuclear PdI complex: an important entry point into catalytically
competent cyclic Pd3 clusters
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC01847F, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Neil W. J. Scott, Mark J. Ford, Christoph Schotes, Rachel R. Parker, Adrian C. Whitwood, Ian J. S. Fairlamb
  Pd3-type clusters generated from Pd(OAc)2/nPPh3, formed via a dinuclear Pd(I) species, exhibit high activity in Suzuki–Miyaura cross-coupling.
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Poly(Ethylene Glycol) Nanocomposites of Sub-Nanometer Metal Oxide Clusters
for Dynamic Semi-Solid Proton Conductive Electrolytes
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02779C, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Zhao Zheng, Qianjie Zhou, Mu Li, Panchao Yin
  Sub-nm-scaled metal oxide cluster (PW12O403-) shows high solubility in the melt of poly(ethylene glycol) (PEG) while the obtained semi-solid nanocomposites show promising proton conductivities at ambient conditions. Suggested from scattering...
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A quantitative uncertainty metric controls error in neural network-driven
chemical discovery
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02298H, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jon Paul Janet, Chenru Duan, Tzuhsiung Yang, Aditya Nandy, Heather Kulik
  Machine learning (ML) models, such as artificial neural networks, have emerged as a complement to high-throughput screening, enabling characterization of new compounds in seconds instead of hours. The promise of...
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Steric and Electronic Control of an Ultrafast Isomerization
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02359C, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Tyler M. Porter, Andrew L. Ostericher, Clifford P. Kubiak
  Synthetic control of the influence of steric and electronic factors on the ultrafast (picosecond) isomerization of penta-coordinate ruthenium dithietene complexes (Ru((CF3)2C2S2)(CO)(L)2,where L = a monodentate phosphine ligand) is reported....
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Sequence isomerism-dependent self-assembly of glycopeptide mimetics with
switchable antibiofilm properties
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC00193J, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Yunlong Zhou, Limin Chen, Dan Yang, Jie Feng, Falin Tian, Xiaomin Ye, qiuping qian, Shuai Wei
  In biological systems, diverse amino acid sequences and functional decorations endow proteins with specific functions. Functionally modified oligopeptides are attractive building blocks to assemble stimuli-responsive biomimetic superstructures for mimicking soft...
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Cobalt-Catalyzed Acylation-Reactions of (Hetero)Arylzinc Pivalates with
Thiopyridyl Ester Derivatives
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC01817D, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Ferdinand H. Lutter, Lucie Grokenberger, Maximilan S. Hofmayer, Paul Knochel
  A cobalt-catalyzed acylation reaction of various primary, secondary and tertiary alkyl, benzyl and (hetero)aryl S-pyridyl thioesters with (hetero)aryl zinc pivalates is reported. The thioesters were prepared directly from the corresponding...
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A generalized deep learning approach for local structure identification in
molecular simulations
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02097G, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Ryan Scott DeFever, Colin Targonski, Steven W Hall, Melissa Smith, Sapna Sarupria
  Identifying local structure in molecular simulations is of utmost importance. The most common existing approach to identify local structure is to calculate some geometrical quantity referred to as an order...
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Relayed hyperpolarization from para-hydrogen improves the NMR
detectability of alcohols
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02765C, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Peter J. Rayner, Ben. J. Tickner, Wissam Iali, Marianna Fekete, Alastair D. Robinson, Simon B. Duckett
  NMR signal strength improvements delivered through hyperpolarisation via para-hydrogen enable the facile detection of alcohols.
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Reactive oxygen species-triggered off-on fluorescence donor for imaging
hydrogen sulfide delivery in living cells
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02323B, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Yiming Hu, Xiaoyi Li, Yu Fang, wen Shi, Xiaohua Li, Wei Chen, Ming Xian, Huimin Ma
  Hydrogen sulfide (H2S), an important gasotransmitter, can mediate a variety of pathophysiological processes, and H2S-based donors have been intensively explored for the therapy of cardiovascular injury, nerve damage and intestinal...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Bayesian semi-supervised learning for uncertainty-calibrated prediction of
molecular properties and active learning
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC00616H, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yao Zhang, Alpha Lee
  Predicting bioactivity and physical properties of small molecules is a central challenge in drug discovery. Deep learning is becoming the method of choice but studies to date focus on mean...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Synthesis, photophysical and electronic properties of tetra-donor- or
acceptor-substituted ortho-perylenes displaying four reversible oxidations
or reductions
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02420D, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Julia Merz, Andreas Steffen, Jörn Nitsch, Julian Fink, Claudia B. Schürger, Alexandra Friedrich, Ivo Krummenacher, Holger Braunschweig, Michael Moos, David Mims, Christoph Lambert, Todd B. Marder
  Tetra-substituted ortho-perylenes bearing four strong Ar2N π-donors or Ar2B π-acceptors enable four reversible oxidations or four reductions.
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  The content of this RSS Feed (c) The Royal Society of Chemistry
A switchable iron-based coordination polymer toward reversible
acetonitrile electro-optical readout
- Abstract: Chem. Sci., 2019, 10,6612-6616
  
  DOI : 10.1039/C9SC02522G, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Esther Resines-Urien, Enrique Burzurí, Estefania Fernandez-Bartolome, Miguel Ángel García García-Tuñón, Patricia de la Presa, Roberta Poloni, Simon J. Teat, Jose Sanchez Costa
  A novel non-porous molecular-based acetonitrile sensor is reported. This material shows a reversible magneto-structural transition under desorption/absorption of acetonitrile involving a drastic switch in its optical and electronic properties.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Pore-size dominated electrochemical properties of covalent triazine
frameworks as anode materials for K-ion batteries
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02340B, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Shu-Ying Li, Wen-Hao Li, Xing-Long Wu, Yuyang Tian, Jieyu Yue, Guangshan Zhu
  Pore-size dominated K-ion storage behaviour in covalent triazine frameworks.
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  The content of this RSS Feed (c) The Royal Society of Chemistry
Condensed ferric dimers for green photocatalytic synthesis of nylon
precursors
- Abstract: Chem. Sci., 2019, 10,6604-6611
  
  DOI : 10.1039/C9SC01253B, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yusuke Ide, Satoshi Tominaka, Yumi Yoneno, Kenji Komaguchi, Toshiaki Takei, Hidechika Nishida, Nao Tsunoji, Akihiko Machida, Tsuneji Sano
  In contrast to usual iron oxides, molecularly small iron oxides synthesized and stabilized on a porous silica scaffold exhibited an unprecedentedly high photocatalytic performance unrealized by previous photocatalysts like TiO2.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Enantioselective photoredox dehalogenative protonation
- Abstract: Chem. Sci., 2019, 10,6629-6634
  
  DOI : 10.1039/C9SC02000D, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Meimei Hou, Lu Lin, Xiangpei Chai, Xiaowei Zhao, Baokun Qiao, Zhiyong Jiang
  We report an enantioselective photoredox dehalogenative protonation as a new type of asymmetric protonation.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Iron detection and remediation with a functionalized porous polymer
applied to environmental water samples
- Abstract: Chem. Sci., 2019, 10,6651-6660
  
  DOI : 10.1039/C9SC01441A, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Sumin Lee, Adam Uliana, Mercedes K. Taylor, Khetpakorn Chakarawet, Siva Rama Satyam Bandaru, Sheraz Gul, Jun Xu, Cheri M. Ackerman, Ruchira Chatterjee, Hiroyasu Furukawa, Jeffrey A. Reimer, Junko Yano, Ashok Gadgil, Gary J. Long, Fernande Grandjean, Jeffrey R. Long, Christopher J. Chang
  Simple and direct determination of iron ion concentrations in water samples is achieved.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Influence of ligand encapsulation on cobalt-59 chemical-shift thermometry
- Abstract: Chem. Sci., 2019, 10,6727-6734
  
  DOI : 10.1039/C9SC01689A, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Tyler M. Ozvat, Manuel E. Peña, Joseph M. Zadrozny
  This manuscript details the first investigation of ligand encapsulation on thermometry by cobalt-59 nuclear spins.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Poly(ionic liquid)s as a distinct receptor material to create a
highly-integrated sensing platform for efficiently identifying numerous
saccharides
- Abstract: Chem. Sci., 2019, 10,6617-6623
  
  DOI : 10.1039/C9SC02266J, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Wanlin Zhang, Yao Li, Yun Liang, Ning Gao, Chengcheng Liu, Shiqiang Wang, Xianpeng Yin, Guangtao Li
  A highly-integrated sphere-based sensing platform for directly identifying numerous saccharides very efficiently is developed.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Exclusive occurrence of photoinduced energy transfer and switching of its
direction by rectangular π-extension of nanographenes
- Abstract: Chem. Sci., 2019, 10,6642-6650
  
  DOI : 10.1039/C9SC01538H, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Tomokazu Umeyama, Takuma Hanaoka, Hiroki Yamada, Yuki Namura, Satoshi Mizuno, Tomoya Ohara, Jinseok Baek, JaeHong Park, Yuta Takano, Kati Stranius, Nikolai V. Tkachenko, Hiroshi Imahori
  Exclusive photoinduced energy transfer and switching of its direction by rectangular π-extension of nanographene were achieved in porphyrin–nanographene linked systems.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Metal–ligand covalency enables room temperature molecular qubit
candidates
- Abstract: Chem. Sci., 2019, 10,6707-6714
  
  DOI : 10.1039/C9SC00074G, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Majed S. Fataftah, Matthew D. Krzyaniak, Bess Vlaisavljevich, Michael R. Wasielewski, Joseph M. Zadrozny, Danna E. Freedman
  Metal–ligand covalency enables observation of coherent spin dynamics to room temperature in a series of vanadium(IV) and copper(II) catechol complexes.
  The content of this RSS Feed (c) The Royal Society of Chemistry
De novo synthesis, structural assignment and biological evaluation of
pseudopaline, a metallophore produced by Pseudomonas aeruginosa
- Abstract: Chem. Sci., 2019, 10,6635-6641
  
  DOI : 10.1039/C9SC01405E, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jian Zhang, Tianhu Zhao, Rongwen Yang, Ittipon Siridechakorn, Sanshan Wang, Qianqian Guo, Yingjie Bai, Hong C. Shen, Xiaoguang Lei
  The first total synthesis and isolation of pseudopaline was reported, which allows determination and confirmation of the absolute configuration of the natural product.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Sacrificial oxidation of a self-metal source for the rapid growth of metal
oxides on quantum dots towards improving photostability
- Abstract: Chem. Sci., 2019, 10,6683-6688
  
  DOI : 10.1039/C9SC01233H, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Lu Huang, Zhichun Li, Congyang Zhang, Long Kong, Bo Wang, Shouqiang Huang, Vaishali Sharma, Houyu Ma, Qingchen Yuan, Yue Liu, Guoqing Shen, Kaifeng Wu, Liang Li
  A sacrificial oxidation of a self-metal source strategy to rapidly anchor metal oxides on individual QD surfaces for improved photostability was reported.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Machine learning and molecular descriptors enable rational solvent
selection in asymmetric catalysis
- Abstract: Chem. Sci., 2019, 10,6697-6706
  
  DOI : 10.1039/C9SC01844A, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yehia Amar, Artur M. Schweidtmann, Paul Deutsch, Liwei Cao, Alexei Lapkin
  Rational solvent selection remains a significant challenge in process development.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the
synthesis of dibenzosilole-fused polycyclic compounds and their unique
reactivity
- Abstract: Chem. Sci., 2019, 10,6715-6720
  
  DOI : 10.1039/C9SC00960D, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Akihito Mitake, Rikako Nagai, Ayato Sekine, Hideaki Takano, Natsuhiko Sugimura, Kyalo Stephen Kanyiva, Takanori Shibata
  Silicon-tethered tetraynes with a 1,3-diyne moiety underwent consecutive hexadehydro- and tetradehydro-Diels–Alder reactions to give fused polycyclic aromatic compounds.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Nickel-catalyzed decarbonylation of N-acylated N-heteroarenes
- Abstract: Chem. Sci., 2019, 10,6666-6671
  
  DOI : 10.1039/C9SC02035G, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Toshifumi Morioka, Syun Nakatani, Yuki Sakamoto, Takuya Kodama, Sensuke Ogoshi, Naoto Chatani, Mamoru Tobisu
  Nickel-catalyzed decarbonylation of N-acylated N-heteroarenes is developed, allowing aromatic acids to serve as an aryl source in arylation of NH-heteroarenes.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Turn on of sky-blue thermally activated delayed fluorescence and
circularly polarized luminescence (CPL) via increased torsion by a bulky
carbazolophane donor
- Abstract: Chem. Sci., 2019, 10,6689-6696
  
  DOI : 10.1039/C9SC01821B, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Nidhi Sharma, Eduard Spuling, Cornelia M. Mattern, Wenbo Li, Olaf Fuhr, Youichi Tsuchiya, Chihaya Adachi, Stefan Bräse, Ifor D. W. Samuel, Eli Zysman-Colman
  The carbazolophane (Czp) donor unit is introduced to the design pool of donors in TADF emitters.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Solvent-assisted coordination driven assembly of a supramolecular
architecture featuring two types of connectivity from discrete nanocages
- Abstract: Chem. Sci., 2019, 10,6661-6665
  
  DOI : 10.1039/C9SC01892A, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Zheng Niu, Lei Wang, Sheng Fang, Pui Ching Lan, Briana Aguila, Jason Perman, Jian-Gong Ma, Peng Cheng, Xiaopeng Li, Shengqian Ma
  A 3D nanocage architecture with two types of connectivity was successfully assembled from discrete supramolecular nanocages.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Selective C–F bond carboxylation of gem-difluoroalkenes with CO2 by
photoredox/palladium dual catalysis
- Abstract: Chem. Sci., 2019, 10,6721-6726
  
  DOI : 10.1039/C9SC01336A, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Chuan Zhu, Yu-Feng Zhang, Ze-Yao Liu, Lu Zhou, Haidong Liu, Chao Feng
  A catalytic C(sp2)–F bond carboxylation with CO2 is reported; the reaction is enabled by dual photoredox/palladium catalysis and involves a crucial fluoroalkenyl radical intermediate.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Snapshots of magnesium-centred diborane heterolysis by an outer sphere SN2
process
- Abstract: Chem. Sci., 2019, 10,6672-6682
  
  DOI : 10.1039/C9SC02087J, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Anne-Frédérique Pécharman, Michael S. Hill, Grace McMullon, Claire L. McMullin, Mary F. Mahon
  Reactions of a magnesium diboranate as a source of [Bpin]− anions are initiated by ‘outer sphere’ attack of CN bonded substrates.
  The content of this RSS Feed (c) The Royal Society of Chemistry
A thiochromenone antibiotic derived from the Pseudomonas quinolone signal
selectively targets the Gram-negative pathogen Moraxella catarrhalis
- Abstract: Chem. Sci., 2019, 10,6624-6628
  
  DOI : 10.1039/C9SC01090D, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Dávid Szamosvári, Tamara Schuhmacher, Christof R. Hauck, Thomas Böttcher
  Scaffold engineering of the Pseudomonas quinolone signal results in a highly potent antibiotic with unprecedented species selectivity.
  The content of this RSS Feed (c) The Royal Society of Chemistry
Stereodynamical Control of Product Branching in Multi-Channel Barrierless
Hydrogen Abstraction of CH 3 OH by F
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02445J, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Dandan Lu, Jun Li, Hua Guo
  The hydrogen abstraction from methanol (CH3OH) by F atoms presents an ideal proving ground to investigate dynamics of multi-channel reactions, because two types of hydrogen can be abstracted from the...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Taming conformational heterogeneity in and with Vibrational Circular
Dichroism spectroscopy
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02866H, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Mark Antonius Johannes Koenis, Yiyin Xia, Sérgio R Domingos, Lucas Visscher, Wybren Jan Buma, Valentin Paul Nicu
  The flexibility of a molecule has important consequences on its function and application. Vibrational Circular Dichroism (VCD) is intrinsically an excellent experimental technique to get a hold on this flexibility...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Correction: UO22+-mediated ring contraction of pyrihexaphyrin: synthesis
of a contracted expanded porphyrin-uranyl complex
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC90138H, Correction Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.James T. Brewster, Harrison D. Root, Daniel Mangel, Adam Samia, Hadiqa Zafar, Adam C. Sedgwick, Vincent M. Lynch, Jonathan L. Sessler
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  The content of this RSS Feed (c) The Royal Society of Chemistry
A Deep Neural Network Model for Packing Density Predictions and its
Application in the Study of 1.5 Million Organic Molecules
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02677K, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Mohammad Atif Faiz Afzal, Aditya Sonpal, Mojtaba Haghighatlari, Andrew Schultz, Johannes Hachmann
  The process of developing new compounds and materials is increasingly driven by computational modeling and simulation, which allow us to characterize candidates before pursuing them in the laboratory. One of...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the
Structure and the Intramolecular Reactivity of Rh–H Intermediates
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02683E, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Pascal Jurt, Oleg Salnikov, Thomas L. Gianetti, Nikita Chukanov, Matthew G Baker, Grégoire Le Corre, Jaap E. Borger, René Verel, Sébastien Gauthier, Olaf Fuhr, Kirill V. Kovtunov, Alexey Fedorov, Dieter Fenske, Igor V. Koptyug, Hansjörg Grützmacher
  Supporting two metal binding sites by a tailored polydentate trop-based (trop = 5H-dibenzo[a,d]cyclohepten-5-yl) ligand yields highly unsymmetric homobimetallic rhodium(I) complexes. Their reaction with hydrogen rapidly forms Rh hydrides that undergo...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Nanoscale Electrostatic Gating of Molecular Transport through Nuclear Pore
Complexes as Probed by Scanning Electrochemical Microscopy
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02356A, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Pavithra Pathirathna, Ryan J. Balla, Guanqun Meng, Zemeng Wei, Shigeru Amemiya
  The nuclear pore complex (NPC) is a large protein nanopore that solely mediates molecular transport between the nucleus and cytoplasm of a eukaryotic cell. There is a long-standing consensus that...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Visible-light-mediated deuteration of silanes with deuterium oxide
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02818H, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Rong Zhou, Jiesheng Li, Han Wen Cheo, Rachel Chua, Gu Zhan, Zhaomin Hou, Jie Wu
  An unprecedented visible-light-mediated metal-free deuteration of hydrosilanes using D2O as a deuterium source was developed.
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  The content of this RSS Feed (c) The Royal Society of Chemistry
Anthracene-based mechanophores for compression-activated fluorescence in
polymeric networks
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02487E, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Christopher P. Kabb, Christopher S. O'Bryan, Cameron D. Morley, Thomas E. Angelini, Brent S. Sumerlin
  The recent attention given to functionalities that respond to mechanical force has led to a deeper understanding of force transduction and mechanical wear in polymeric materials.
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  The content of this RSS Feed (c) The Royal Society of Chemistry
Efficient Multi-Objective Molecular Optimization in a Continuous Latent
Space
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC01928F, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noe, Djork-Arné Clevert
  One of the main challenges in small molecule drug discovery is finding novel chemical compounds with desirable properties. In this work, we propose a novel method that combines in silico...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Electrochemical Oxidation Induced Selective Tyrosine Bioconjugation for
the Modification of Biomolecules
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02218J, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Chunlan Song, Kun Liu, Zhongjie Wang, Bo Ding, Shengchun Wang , Yue Weng, Chien-Wei Chiang, Aiwen Lei
  Directly introducing a beneficial functional group to biomolecules under mild, clean and easy-to-handle conditions is of great importance in the field of chemical biology and pharmacology. Herein, we described an...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Mitochondria-targeted fluorescent molecules for high efficiency cancer
growth inhibition and imaging
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC01410A, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Zhen Cheng, Hao Chen, Jing Wang, Xin Feng, Mark Zhu, Simon Hoffmann, Alexander Hsu, Kun Qian, Daijuan Huang, Feng Zhao, Wei Liu, Huimao Zhang
  The fluorescent mitochondria-accumulating delocalized lipophilic cations (DLCs) for cancer therapy have drawn significant attentions in the field of cancer theranostics. One of the most promising fluorescent DLCs, F16, can selectively...
  The content of this RSS Feed (c) The Royal Society of Chemistry
The Debut of Chiral Cyclic (Alkyl)(amino)carbenes (CAACs) in
Enantioselective Catalysis
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02810B, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Delphine Pichon, Michelle Soleilhavoup, Jennifer Morvan, Glen Paxton Junor, Thomas Vivès, Christophe Crévisy, Vince Lavallo, Jean-Marc Campagne, Marc Mauduit, rodolphe fouad rené jazzar, Guy Bertrand
  The popularity of NHCs in transition metal catalysis has prompted the development of chiral versions as electron-rich neutral stereodirecting ancillary ligands for enantioselective transformations. Herein we demonstrate that cyclic (alkyl)(amino)carbenes...
  The content of this RSS Feed (c) The Royal Society of Chemistry
A sterically encumbered photoredox catalyst enables the unified synthesis
of the classical lignan family of natural products
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02682G, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Edwin Alfonzo, Aaron B. Beeler
  Herein, we detail a unified synthetic approach to the classical lignan family of natural products that hinges on divergence from a common intermediate that was strategically identified from nature's biosynthetic blueprints.
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  The content of this RSS Feed (c) The Royal Society of Chemistry
Pushing the analytical limits: new insights into complex mixtures using
mass spectra segments of constant ultrahigh resolving power
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02903F, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Diana Catalina Palacio Lozano, Remy Gavard, Juan P. Arenas-Diaz, Mary J. Thomas, David D. Stranz, Enrique Mejía-Ospino, Alexander Guzman, Simon E. F. Spencer, David Rossell, Mark P. Barrow
  A new strategy has been developed for characterization of the most challenging complex mixtures to date, using a combination of custom-designed experiments and a new data pre-processing algorithm.
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B(C6F5)3-Catalyzed Dehydrogenative Cyclization of N-Tosylhydrazones and
Anilines via a Lewis Adduct: A Combined Experimental and Computational
Investigations
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02492A, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Murali Mohan Guru, Sriman De, Sayan Dutta, Debasis Koley, Biplab Maji
  Tris(pentafluorophenyl)borane-catalyzed dehydrogenative-cyclization of N-tosylhydrazones with aromatic amines has been disclosed. This metal-free catalytic protocol is compatible with a range of functional groups to provide both symmetrical and unsymmetrical 3,4,5-triaryl-1,2,4-triazoles. Mechanistic...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Regulating C-C coupling in thermocatalytic and electrocatalytic COx
conversion based on surface science
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02014D, Perspective Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Yawen Jiang, Ran Long, Yujie Xiong
  Heterogeneous thermocatalytic and electrocatalytic conversion of COx including CO and CO2 to value-added products, which can be performed through three promising approaches -- syngas conversion, CO2 hydrogenation and CO2 electroreduction,...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Nucleophile-intercepted Beckmann Fragmentation Reactions
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC00926D, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Samuel J. Touchette, Evan M. Dunkley, Leah L. Lowder, Jimmy Wu
  We describe the first examples of nucleophile-intercepted Beckmann fragmentations of indoline oximes. This reaction uses MsCl as a promoter to give cyano chlorides and is believed to proceed through an...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Before Förster. Initial Excitation in Photosynthetic Light
Harvesting.
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC01888C, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Khadga Jung Karki, Junsheng Chen, Atsunori Sakurai, Qi Shi, Alastair T. Gardiner, Oliver Kuehn, Richard J. Cogdell, Tönu Pullerits
  Electronic 2D spectroscopy allows nontrivial quantum effects to be explored in unprecedented detail. Here, we apply recently developed fluorescence detected coherent 2D spectroscopy to study the light harvesting antenna 2...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Spin-Crossover Modulation via Single-Crystal to Single-Crystal
Photochemical [2+2] Reaction in Hofmann-Type Frameworks
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02274K, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Long-Fei Wang, Wei-Man Zhuang, Huang Guo-Zhang, Yan-Cong Chen, Jiang-Zhen Qiu, Zhao-Ping Ni, Ming-Liang Tong
  This study reports the first modulation of spin-crossover (SCO) behavior via a photochemical [2+2] cycloaddition reaction. Here we construct two no-solvent Fe(II)-Ag(I) bimetallic Hofmann-type frameworks, [Fe(4-spy)2{Ag(CN)2}2] (1) and [Fe(2,4-bpe)2{Ag(CN)2}2] (2)...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Bio-inspired synthesis of xishacorenes A, B, C, and a new congener from
fuscol
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02572C, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Alexander R Rovira, Nicolas Müller, Weiwen Deng, Chudi Ndubaku, Richmond Sarpong
  The xishacorene natural products are structurally unique apolar diterpenoids that feature a bicyclo[3.3.1] framework. These secondary metabolites likely arise from the well-studied, structurally related diterpenoid fuscol. In this manuscript, we...
  The content of this RSS Feed (c) The Royal Society of Chemistry
Three-Component Vicinal-Diarylation of Alkenes via Directed
Transmetalation of Arylboronic Acids
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02182E, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Dongbing Zhao, Yun Zhang, Gong Chen
  Herein, we report transmetalation of arylboronic acids-initiated three-component vicinal-diarylation of non-conjugated alkene, which constitutes a complementary access to β,γ-diaryl carbonyl coumpounds. We have also screened a large number of chiral...
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Structure and Effective Charge Characterization of Proteins by a Mobility
Capillary Electrophoresis Based Method
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02039J, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Wenjing Zhang, Haimei Wu, Rongkai Zhang, Xiang Fang, Wei Xu
  Measuring the conformations and effective charges of proteins in solution are critical for investigating protein bioactivities, but their rapid analyses remain as challenging problems. Here we report a mobility capillary...
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Using Chirality to Influence Supramolecular Gelation
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02239B, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kate McAulay, Bart Dietrich, Hao Su, Michael T. Scott, Sarah E. Rogers, Youssra Kareem Al-Hilaly, Honggang Cui, Louise Serpell, Annela Seddon, Emily Rose Draper, Dave Adams
  Most low molecular weight gelators are chiral, with racemic mixtures often unable to form gels. Here, we show an example where all enantiomers, diastereomers and racemates of a single functionalized...
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Near-Infrared Fluorescein Dyes Containing a Tricoordinate Boron Atom
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02314C, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Naoki Ando, Hiroki Soutome, Shigehiro Yamaguchi
  Bora-fluoresceins (BFs), fluorescein analogues containing a tricoordinate boron atom instead of an oxygen atom at the 10-position of the fluorescein skeleton, were synthesized as a new family of fluorescein analogues....
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Plasmonic colloidosomes of black gold for solar energy harvesting and
hotspots directed catalysis for CO2 to fuel conversion
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC02369K, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Mahak Dhiman, Ayan Maity, Anirban Das, Rajesh Belgamwar, Bhagyashree Chalke, Yeonhee Lee, Kyunjong Sim, Jwa-Min Nam, Vivek Polshettiwar
  Plasmonic black gold converts CO2 to methane using solar energy.
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A Sterically Hindered Asymmetric D-A-D' Thermally Activated Delayed
Fluorescence Emitter for Highly-Efficient Non-doped Organic Light-Emitting
Diodes
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC01686D, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Zhan Yang, Zhu Mao, Chao Xu, Xiaojie Chen, Juan Zhao, Zhiyong Yang, Yi Zhang, William Wu, Shibo Jiao, Yang Liu, Matthew Phillip Aldred, Zhenguo Chi
  Thermally activated delayed fluorescence (TADF) materials have opened up a new chapter for high-efficiency and low-cost organic light-emitting diodes (OLEDs). Herein, we describe a novel and effective design strategy for...
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A reactive oxygen species-generating, cancer stem cell-potent
manganese(II) complex and its encapsulation into polymeric nanoparticles
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC01275C, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Arvin Eskandari, Kogularamanan Suntharalingam
  Intracellular redox modulation offers a viable approach to effectively remove cancer stem cells (CSCs), a subpopulation of tumour cells thought to be responsible for cancer recurrence and metastasis. Here we...
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Ultralong Room-Temperature Phosphorescence of Solid-State Supramolecule
between Phenylmethylpyridinium and Cucurbit[6]uril
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02633A, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Zhi-Yuan Zhang, Yu Liu
  Long-lived organic room-temperature phosphorescence (RTP) have received great attention because of their various potential applications. Herein, we report a persistent RTP of solid-state supramolecule between cucurbit[6]uril (CB[6]) host and heavy-atom-free...
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Expanding the mass range for UVPD-based native top-down mass spectrometry
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC01857C, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jean-Francois Greisch, Sem Tamara, Richard A. Scheltema, Howard Maxwell, Robert Fagerlund, Peter Fineran, Stephan Tetter, Donald Hilvert, Albert JR Heck
  Native top-down mass spectrometry is emerging as a methodology that can be used to structurally investigate protein assemblies. To extend the possibilities of native top-down mass spectrometry to larger and...
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Correction: Enhancement of CO2 binding and mechanical properties upon
diamine functionalization of M2(dobpdc) metal–organic frameworks
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC90145K, Correction Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jung-Hoon Lee, Rebecca L. Siegelman, Lorenzo Maserati, Tonatiuh Rangel, Brett A. Helms, Jeffrey R. Long, Jeffrey B. Neaton
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Correction: E. coli surface display of streptavidin for directed evolution
of an allylic deallylase
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC90139F, Correction Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Tillmann Heinisch, Fabian Schwizer, Brett Garabedian, Eszter Csibra, Markus Jeschek, Jaicy Vallapurackal, Vitor B. Pinheiro, Philippe Marlière, Sven Panke, Thomas R. Ward
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Spectroscopic, Thermodynamic and Computational Evidence of the Locations
of the FADs in the Nitrogen Fixation-Associated Electron Transfer
Flavoprotein
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC00942F, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Nishya Mohamed-Raseek, Haijun Diessel Duan, Peter Hildebrandt, Maria Andrea Mroginski, Anne-Frances Miller
  Flavin-based electron bifurcation allows enzymes to redistribute energy among electrons by coupling endergonic and exergonic electron transfer reactions. Diverse bifurcating enzymes employ a two-flavin electron transfer flavoprotein (ETF) that accepts...
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Organobase Triggered Controlled Supramolecular Ring Opening Polymerization
and 2D Assembly
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC01972C, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Anwesha Chakraborty, Goutam Ghosh, Deep Sankar Pal, Shinto Varghese, Suhrit Ghosh
  A carboxylic acid appended naphthalene-diimide (NDI) derivative spontaneously aggregates in decane to generate a kinetically controlled product with irregular fibrillar morphology. By fine-tuning the sample preparation condition, the carboxylic acid...
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Uncovering Two Kinetic Factors in the Controlled Growth of Topologically
Distinct Core-Shell Metal-Organic Frameworks
- Abstract: Chem. Sci., 2019, Accepted Manuscript
  
  DOI : 10.1039/C9SC02576F, Edge Article Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Fang Wang, Sanfeng He, Hongliang Wang, Songwei Zhang, Chunhui Wu, Haoxin Huang, Yuqian Pang, Chia-Kuang (Frank) Tsung, Tao Li
  Constructing core-shell metal-organic frameworks (MOFs) based on two topologically distinct MOFs is a great way to increase MOF material complexity and explore their new functions. However, such nucleation process is...
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Rational design and implementation of a cucurbit[8]uril-based
indicator-displacement assay for application in blood serum
- Abstract: Chem. Sci., 2019, Advance Article
  
  DOI : 10.1039/C9SC00705A, Edge Article Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Stephan Sinn, Eduard Spuling, Stefan Bräse, Frank Biedermann
  In this study, we report the first supramolecular indicator displacement assay (IDA) based on cucurbit[n]uril (CBn) host and a [2.2]paracyclophane derivative as indicator that is operational in blood serum.
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