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Functional group interaction profiles: a general treatment of solvent effects on non-covalent interactions

Chem. Sci., 2020, 11,4456-4466
DOI: 10.1039/D0SC01288B, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Mark D. Driver, Mark J. Williamson, Joanne L. Cook, Christopher A. Hunter
Functional group interaction profiles are a quantitative tool for predicting the effect of solvent on the free energy changes associated with non-covalent interactions.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Enantioselective total synthesis of (−)-myrifabral A and B

Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01141J, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Tyler J. Fulton, Anthony Y. Chen, Michael D. Bartberger, Brian M. Stoltz
A catalytic enantioselective approach to the Myrioneuron alkaloids (−)-myrifabral A and (−)-myrifabral B is described.
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Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds

Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC00002G, Edge Article
Open Access
Chenting Yan, Masato Takeshita, Jun-ya Nakatsuji, Akihiro Kurosaki, Kaoko Sato, Rong Shang, Masaaki Nakamoto, Yohsuke Yamamoto, Yohei Adachi, Ko Furukawa, Ryohei Kishi, Masayoshi Nakano
Structural characterization of hypervalent electron-rich pentacoordinate nitrogen species has long been a synthetic challenge. Here we report the first nitrogen cationic radical (11-N-5) species featuring a weak hypervalent 3c-5e interaction.
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Selective electrochemical reduction of carbon dioxide to ethanol via a relay catalytic platform

Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01133A, Edge Article
Open Access
Juan Du, Shaopeng Li, Shulin Liu, Yu Xin, Bingfeng Chen, Huizhen Liu, Buxing Han
The relay catalytic platform is very efficient and selective for CO2 electroreduction to ethanol.
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Ultraviolet photochemistry of ethane: implications for the atmospheric chemistry of the gas giants

Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01746A, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Yao Chang, Jiayue Yang, Zhichao Chen, Zhiguo Zhang, Yong Yu, Qingming Li, Zhigang He, Weiqing Zhang, Guorong Wu, Rebecca A. Ingle, Matthew Bain, Michael N. R. Ashfold, Kaijun Yuan, Xueming Yang, Christopher S. Hansen
The vacuum ultraviolet photodissociation dynamics of ethane provide clues for modelling the atmospheric chemistry of the gas giants.
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Determination of protein-ligand binding modes using fast multi-dimensional NMR with hyperpolarization

Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC00266F, Edge Article
Open Access
Yunyi Wang, Jihyun Kim, Christian Hilty
Elucidation of small molecule-protein interactions provides essential information for understanding biological processes such as cellular signaling, as well as for rational drug development. Here, multi-dimensional NMR with sensitivity enhancement by...
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Correction: Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C–H insertion of donor/donor carbenes

Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC90081H, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Leslie A. Nickerson, Benjamin D. Bergstrom, Mingchun Gao, Yuan-Shin Shiue, Croix J. Laconsay, Matthew R. Culberson, Walker A. Knauss, James C. Fettinger, Dean J. Tantillo, Jared T. Shaw
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Synthesis of unstrained Criegee intermediates: inverse α-effect and other protective stereoelectronic forces can stop Baeyer-Villiger rearrangement of γ-hydroperoxy-γ-peroxylactones

Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01025A, Edge Article
Open Access
Vera A. Vil', Yana Barsegyan, Leah Kuhn, Maria V. Ekimova, Egor A. Semenov, Alexander Korlyukov, Alexander Olegovich Terent'ev, Igor Alabugin
How far can we push the limits in removing stereoelectronic protection from an unstable intermediate? We address this question by exploring the interplay between the primary and secondary stereoelectronic effects...
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Regioselective Molybdenum-catalyzed allylic substitution of tertiary allylic electrophiles: methodology development and applications

Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01763A, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Muhammad Salman, Yaoyao Xu, Shahid Khan, Junjie Zhang, Ajmal Khan
The first molybdenum-catalyzed allylic sulfonylation of tertiary allylic electrophile is described. The method utilizes a readily accesable catalyst (Mo(CO)6/2,2'-bipyridine, both are commercially available) and represent the first example of the...
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Vibrational characterization of a diiron bridging hydride complex – a model for hydrogen catalysis

Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01290D, Edge Article
Open Access
Leland Bruce Gee, Vladimir Pelmenschikov, Hongxin Wang, Nakul Mishra, Yu-Chiao Liu, Yoshitaka Yoda, Kenji TAMASAKU, Ming-Hsi Chiang, Stephen P Cramer
A diiron complex containing a bridging hydride and a protonated terminal thiolate of the form [(μ,κ2-bdtH)(μ-PPh2)(μ-H)Fe2(CO)5]+ has been investigated through 57Fe nuclear resonance vibrational spectroscopy (NRVS) and interpreted using density...
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Direct and quantitative monitoring of catalytic organic reactions under heterogeneous conditions using direct analysis in real time mass spectrometry

Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC00021C, Edge Article
Open Access
Koichiro Masuda, Shū Kobayashi
A direct and quantitative method for monitoring heterogeneous organic reactions has been developed by using direct analysis in real time mass spectrometry (DART-MS) with an isotope-labeled reaction product as an internal standard.
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Sequential C–O decarboxylative vinylation/C–H arylation of cyclic oxalates via a nickel-catalyzed multicomponent radical cascade

Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01471K, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Huan Li, Lei Guo, Xiaoliang Feng, Liping Huo, Shengqing Zhu, Lingling Chu
A selective, sequential C–O decarboxylative vinylation/C–H arylation of cyclic alcohol derivatives enabled by visible-light photoredox/nickel dual catalysis has been described.
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The Role of Porphyrin Peripheral Substituents in Determining the Reactivities of Ferrous Nitrosyl Species

Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01625J, Edge Article
Open Access
Sk Amanullah, Abhishek Dey
Ferrous nitrosyl {FeNO}7 species are intermediates common to the catalytic cycles of Cd1NiR and CcNiR, two heme-based nitrite reductases (NiR), and its reactivity vary dramatically in these enzymes. The former...
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Observations of tetrel bonding between sp3–carbon and THF

Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01559H, Edge Article
Open Access
Victoria V. L. Heywood, T. P. J. Alford, Julius J.J. Roeleveld, Siebe S. J. Lekanne-Deprez, Abraham A. Verhoofstad, Jarl Ivar van der Vlugt, Melanie Schnell, Sérgio R Domingos, Anthony P. Davis, Tiddo Jonathan Mooibroek
We report the direct observation of tetrel bonding interactions between sp3-carbons of the supramolecular synthon 3,3-dimethyl-tetracyanocyclopropane (1) and tetrahydrofuran in the gas and crystalline phase. The intermolecular contact is established...
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The Endeavor of Vibration-Induced Emission (VIE) for Dynamic Emissions

Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01591A, Perspective
Open Access
Zhiyun Zhang, Guangchen Sun, Wei Chen, Jianhua Su, He Tian
Organic chromophores with large Stokes shifts and dual emissions are fascinating because of their fundamental and application interests. Vibration-induced emission (VIE) refers to a tunable multiple fluorescence exhibited by saddle-shaped...
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A time-domain view of charge carriers in semiconductor nanocrystal solids

Chem. Sci., 2020, Advance Article
DOI: 10.1039/C9SC05925C, Perspective
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Wenbi Shcherbakov-Wu, William A. Tisdale
Time-domain spectroscopy and transient photocurrent techniques have revealed new understanding of mesoscale carrier dynamics in nanocrystal solids, including the role of energetic disorder, interactions with trap states, and nonequilibrium dynamics
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Electrochemical Radical Reactions of Alkyl Iodides: A Highly Efficient, Clean, Green Alternative to Tin Reagents

Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01694B, Edge Article
Open Access
diyuan Li, Tsz-Kan Ma, Reuben J Scott, Jonathan David Wilden
An electrochemical ‘redox-relay’ system has been developed which allows the generation of C-centered radicals. Intermolecular ‘tin-like’ radical reactions can subsequently be conducted under the most benign of conditions. The yields...
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BS Insurance Round Table 2020: No major impact of tax change, say experts

Six top life insurance executives brainstorm on the impact of tax exemption removal and the upcoming IPO of Life Insurance Corporation. Edited Excerpts:




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Weather Warnings for Queensland - land areas. Issued by the Australian Bureau of Meteorology




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Show-cause notices issued to 87 medicos of JNMCH

Dr Sinha on Friday said that show-cause notices have been issued to 87 erring PG students.




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Bihar gets 5L MT of foodgrains under PMGKAY

The Food Corporation of India (FCI) has supplied around 5.95 lakh metric tonne (MT) of additional foodgrains to Bihar till Thursday under the Pradhan Mantri Garib Kalyan Ann Yojana (PMGKAY) to provide help to people concerned during three months, including the lockdown period owing to Covid-19 pandemic.




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What is the cut-off price?

It is different from a floor price, which is the minimum price at which bids can be made.




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Who decides the price band of an IPO?

For the announcement of the price band and the bid offer period, working day means all days, excluding all Saturdays, Sundays and public holidays on which commercial banks in Mumbai are open for business.




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Half of FY20 IPOs hold head above water in this selloff, some remain multibaggers

Out of the 15 stocks that got listed in FY 2019-20, seven are still trading above issue prices.




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Parent perceptions of their school council / Leonie M. Southwell

Southwell, Leonie, M., author




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Photosensitive students and digital media : a survey of educators regarding knowledge and self efficacy / Janene Sproul

Sproul, Janene, author




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Interim report : first steps for improving educational opportunities for Aboriginal and Torres Strait Islander students / House of Representatives Standing Committee on Indigenous Affairs

Australia. Parliament. House of Representatives. Standing Committee on Indigenous Affairs, author, issuing body




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Creating environments for learning : birth to age eight / Julie Bullard, University of Montana Western

Bullard, Julie, author




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The value of international education to Australia / prepared by Deloitte Access Economics

Deloitte Access Economics




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Handbook of research on teaching / edited by Drew H. Gitomer and Courtney A. Bell




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Professional development, instructional intelligence and teacher emotions : a mixed methods study of a four-year systemic change initiative / by Rebecca Ann Saunders

Saunders, Rebecca Ann, author




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The falling rate of learning and the neoliberal endgame / David J. Blacker

Blacker, David J., author




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International handbook of research on conceptual change / edited by Stella Vosniadou




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Alternatives to privatizing public education and curriculum : Festschrift in honor of Dale D. Johnson / by Daniel Ness & Stephen J. Farenga




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The abandoned generation : democracy beyond the culture of fear / Henry A. Giroux

Giroux, Henry A




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Education and the crisis of public values : challenging the assault on teachers, students, and public education / Henry A. Giroux

Giroux, Henry A, author




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Pedagogy and the politics of hope : theory, culture, and schooling : a critical reader / Henry A. Giroux

Giroux, Henry A




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The shape of text to come : how image and text work / Jon Callow

Callow, Jon, 1964- author




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Engaging the six cultures of the academy : revised and expanded edition of the Four cultures of the academy / William H. Bergquist, Kenneth Pawlak

Bergquist, William H




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Geoffrey Bolton introduces 'It had better be a good one' [videorecording] : the first ten years of Murdoch University

Bolton, G. C. (Geoffrey Curgenven), 1931-2015




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The big lies of school reform : finding better solutions for the future of public education / edited by Paul C. Gorski and Kristien Zenkov




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Naming silenced lives : personal narratives and processes of educational change / [edited by] Daniel McLaughlin and William G. Tierney




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Learning English as a second language in the early years : hundreds of ideas for supporting children with English as an additional language / Anita Soni & Liz Rouse

Soni, Anita, (Educational psychologist), author




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Making learning whole : how seven principles of teaching can transform education / David N. Perkins

Perkins, David N




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How colleges work : the cybernetics of academic organization and leadership / Robert Birnbaum

Birnbaum, Robert




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Living with difference : does multiculturism have a future? / presented by Geoff Gallop

Gallop, Geoff




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A study on the effectiveness of anonymous agents in computer-supported collaborative learning (CSCL) for the facilitation of student learning and execution of team projects / Wudhijaya Philuek

Philuek, Wudhijaya, author




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Record of oral language : observing changes in the acquisition of language structures : a guide for teaching / Marie M. Clay, Malcolm Gill, Ted Glynn, Tony McNaughton, Keith Salmon

Clay, Marie M. (Marie Mildred), author




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Handbook of research on collaborative teaching practice in virtual learning environments / Gianni Panconesi (Esplica, Italy), Maria Guida (National Institute for Documentation, Innovation, and Educational Research, Italy), [editors]




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The new meaning of educational change / Michael Fullan

Fullan, Michael, author