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Cold and controlled chemical reaction dynamics

Phys. Chem. Chem. Phys., 2020, 22,9180-9194
DOI: 10.1039/D0CP00931H, Perspective
Jutta Toscano, H. J. Lewandowski, Brianna R. Heazlewood
State-to-state chemical reaction dynamics, with complete control over the reaction parameters, offers unparalleled insight into fundamental reactivity.
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Multi-molar CO2 capture beyond the direct Lewis acid–base interaction mechanism

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01493A, Paper
Chenchen Li, Dongmei Lu, Chao Wu
Competing with the Lewis acid-base reactions, proton transfer related interactions dominate the multi-molar CO2 capture in three typical multiple-site ILs. For ammonium-based ILs, the proton transfer process is feasible only with the help of CO2 molecule.
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Functionalization of two-dimensional 1T'-ReS2 with surface ligands for use as a photocatalyst in the hydrogen evolution reaction: a first-principles calculation study

Phys. Chem. Chem. Phys., 2020, 22,9415-9423
DOI: 10.1039/D0CP01016B, Paper
Jing Pan, Wannian Zhang, Xiaoyong Xu, Jingguo Hu
Surface functionalization with polar ligands to tune band edges of two-dimensional 1T'-ReS2 and enhance its photocatalytic activity for hydrogen production.
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The water trimer reaction OH + (H2O)3 → (H2O)2OH + H2O

Phys. Chem. Chem. Phys., 2020, 22,9767-9774
DOI: 10.1039/D0CP01418D, Paper
Aifang Gao, Guoliang Li, Bin Peng, Jared D. Weidman, Yaoming Xie, Henry F. Schaefer
All important stationary points on the potential energy surface (PES) for the reaction OH + (H2O)3 → (H2O)2OH + H2O have been fully optimized using the “gold standard” CCSD(T) method with the large Dunning correlation-consistent cc-pVQZ basis sets.
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Inter-protein interactions govern protein loading into porous vaterite CaCO3 crystals

Phys. Chem. Chem. Phys., 2020, 22,9713-9722
DOI: 10.1039/D0CP00404A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Natalia A. Feoktistova, Nadezhda G. Balabushevich, Andre G. Skirtach, Dmitry Volodkin, Anna S. Vikulina
Loading of therapeutic proteins into mesoporous vaterite crystals is driven by inter-protein interactions in bulk solution and inside the crystals.
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Mixed uranyl and neptunyl cation–cation interaction-driven clusters: structures, energetic stability, and nuclear quadrupole interactions

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01068E, Paper
Paweł Tecmer, Frank Schindler, Aleksandra Leszczyk, Katharina Boguslawski
We present a quantum-chemical study of mixed CCI clusters, their structures, energetic stability, and nuclear quadrupole interactions.
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Micro-structural dependent oxygen reduction reaction in Ruddlesden Popper perovskite (SmSr)NiO4-δ

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP00433B, Paper
Manisha Chauhan, Pardeep K Jha, Ajay Shankar Bangwal, Priyanka Arora Jha, Prabhakar Singh
Rare earth nickelates Perovskites have very wide applicability, including magnetic insulators as well as conducting materials for various components of solid oxide fuel cells (SOFCs) due to occurrence of an...
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Active stereo-control of the Cl + CH4(ν3 = 1) reaction: a three-dimensional perspective

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01502D, Paper
Huilin Pan, Kopin Liu
Reactivity dependency on the collisional geometry in a reaction with a spherical-top reactant.
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The interaction of two-dimensional α- and β-phosphorus carbide with environmental molecules: a DFT study

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01607A, Paper
Open Access
Andrey Kistanov, Elena Korznikova, Marko Huttula, Wei Cao
The recently fabricated two-dimensional phosphorus carbide (PC) has been proposed for application in different nanodevices such as nanoantennas and field-effect transistors. However, the effect of ambient molecules on the properties...
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Low–temperature water–gas shift reaction catalyzed by hybrid NiO@NiCr–layered double hydroxides: catalytic property, kinetics and mechanism investigation

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01242D, Paper
Shengjie Xia, Tiantian Dai, Yue Meng, Xiaobo Zhou, Guoxiang Pan, Xueqiang Zhang, Zheming Ni
The realization of high efficiency water gas shift reaction (WGSR) at low temperature has always been a research hotspot and difficulty. Based on NiCr layered double hydroxides (NiCr–LDHs), a kind...
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The importance of the composite mechanisms with two transition states in the F- + NH2I SN2 reaction

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01942A, Communication
Yan Li, Yongfang Li, Dunyou Wang
The dynamics of the bimolecular nucleophilic substitution (SN2) reactions at nitrogen are less understood than their corresponding reactions at carbon. In this paper, we report an ab initio molecular dynamics...
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[ASAP] One-Pot C–H Arylation/Lactamization Cascade Reaction of Free Benzylamines

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00542




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[ASAP] Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.9b03504




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[ASAP] Deactivation of Secondary Amine Catalysts via Aldol Reaction–Amine Catalysis under Solvent-Free Conditions

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00665




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[ASAP] The Synthesis of Functionalized 3-Aryl- and 3-Heteroaryloxazolidin-2-ones and Tetrahydro-3-aryl-1,3-oxazin-2-ones via the Iodocyclocarbamation Reaction: Access to Privileged Chemical Structures and Scope and Limitations of the Method

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.9b03400




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[ASAP] One-Pot Multicomponent Reaction of Catechols, Ammonium Acetate, and Aldehydes for the Synthesis of Benzoxazole Derivatives Using the Fe(III)–Salen Complex

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00560




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[ASAP] Inverse Electron-Demand Diels–Alder Bioconjugation Reactions Using 7-Oxanorbornenes as Dienophiles

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00583




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Real-time quantification of fusion transcripts with ligase chain reaction by direct ligation of adjacent DNA probes at fusion junction

Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00163E, Paper
Fengxia Su, Jianing Ji, Pengbo Zhang, Fangfang Wang, Zhengping Li
A fusion transcript assay is developed based on direct ligation and ligase chain reaction.
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Target triggered ultrasensitive electrochemical polychlorinated biphenyl aptasensor based on DNA microcapsules and nonlinear hybridization chain reaction

Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00065E, Paper
Ting Han, Shaozhen Wang, Feifan Sheng, Sicheng Wang, Tianyue Dai, Xiaojun Zhang, Guangfeng Wang
In this work, we demonstrated an ultrasensitive detection platform for polychlorinated biphenyls (PCBs) based on DNA microcapsules and a nonlinear hybridization chain reaction (NHCR).
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Profiling of immune-cancer interactions at the single cell level using microfluidic well array

Analyst, 2020, Accepted Manuscript
DOI: 10.1039/D0AN00110D, Paper
Honglei Tu, Zhuhao Wu, Yu Xia, Hui Chen, Hang Hu, Zhao Ding, Fuling Zhou, Shishang Guo
Cancer immunotherapy has achieved great success in hematological cancers. However, immune cells are highly heterogeneous population and can vary highly on clonal expansion, migration and function status, making it difficult...
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Isothermal cross-boosting extension–nicking reaction mediated exponential signal amplification for ultrasensitive detection of polynucleotide kinase

Analyst, 2020, Advance Article
DOI: 10.1039/C9AN02569C, Paper
Xiao-Yu Li, Yun-Xi Cui, Yi-Chen Du, An-Na Tang, De-Ming Kong
A novel nucleic acid-based isothermal signal amplification strategy, named cross-boosting extension–nicking reaction (CBENR) is developed and successfully used for rapid and ultrasensitive detection of polynucleotide kinase (PNK) activity.
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Electrochemiluminescence analysis of tryptophan in aqueous solutions based on its reaction with tetraphenylborate anions

Analyst, 2020, 145,3364-3369
DOI: 10.1039/D0AN00229A, Paper
Yuriy Zholudov, Natalia Lysak, Dmytro Snizhko, Olena Reshetniak, Guobao Xu
A pulsed electrogenerated chemiluminescence is observed upon the oxidation of tryptophan amino acid in aqueous solutions with a tetraphenylborate co-reactant.
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Time-resolved in situ monitoring of photocatalytic reactions by probe electrospray ionization mass spectrometry

Analyst, 2020, 145,3313-3319
DOI: 10.1039/D0AN00305K, Paper
Zhongbao Han, Xiaoyu Gu, Shirong Wang, Liyan Liu, Ying Wang, Zhen Zhao, Zhan Yu
We report the application of PESI-MS to in situ monitoring of photocatalytic reactions of cationic dyes in suspensions in real-time.
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Recent developments of nanoenzyme-based colorimetric sensors for heavy metal detection and the interaction mechanism

Analyst, 2020, 145,3173-3187
DOI: 10.1039/D0AN00339E, Critical Review
Zhengquan Yan, Hua Yuan, Qi Zhao, Lin Xing, Xiaoyu Zheng, Weiguo Wang, Yulei Zhao, Yang Yu, Lei Hu, Wenli Yao
This work highlights the application and interaction mechanism of metal nanoparticles, metal oxides, metal sulfides, graphene-based nanomaterials and G-quadruplex, etc. in nanoenzyme-based colorimetric sensors.
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Development of a chromophore-solid phase peptide reaction assay (C-SPRA) for assessing skin sensitization in vitro

Analyst, 2020, 145,3211-3216
DOI: 10.1039/C9AN02514F, Communication
Hiroshi Miyazaki, Yoshio Hamada, Hikaru Takaishi, Yuuki Minamino, Hidefumi Ikeda, Hideaki Mekata, Masayuki Takaishi, Kunihiko Yamashita, Kenji Usui
We developed an in vitro chromophore-solid phase peptide reaction assay (C-SPRA) using chromophores and immobilized peptides on microbeads. C-SPRA would enable accurate and high-throughput assessments of various chemicals.
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[ASAP] SCRaMbLEing of a Synthetic Yeast Chromosome with Clustered Essential Genes Reveals Synthetic Lethal Interactions

ACS Synthetic Biology
DOI: 10.1021/acssynbio.0c00059




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[ASAP] Molecular Interactions of Pyrazine-Based Compounds to Proteins

Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.9b02021




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[ASAP] Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin–MLL Interaction with Strong <italic toggle="yes">In Vivo</italic> Antitumor Activity

Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.0c00547




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[ASAP] Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction

ACS Medicinal Chemistry Letters
DOI: 10.1021/acsmedchemlett.9b00594




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[ASAP] Novel Dithiolane-Based Ligands Combining Sigma and NMDA Receptor Interactions as Potential Neuroprotective Agents

ACS Medicinal Chemistry Letters
DOI: 10.1021/acsmedchemlett.0c00129




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Surveillance in Action: Technologies for Civilian, Military and Cyber Surveillance / edited by Panagiotis Karampelas, Thirimachos Bourlai

Online Resource




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Soft power: the forces of attraction in international relations / Hendrik W. Ohnesorge

Online Resource




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Children and peace: from research to action / Nikola Balvin, Daniel J. Christie, editors

Online Resource




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World politics: interests, interactions, institutions / Jeffry A. Frieden, David A. Lake, Kenneth A. Schultz

Dewey Library - JZ1242.F748 2019




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A piece of the action: race and labor in post-civil rights Hollywood / Eithne Quinn

Dewey Library - PN1995.9.N4 Q54 2020




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Mathematica @ 50: Using Emerging Methods to Produce More Credible, Actionable Evidence for Policymakers

Finding and interpreting relevant evidence can be a frustrating experience for many policymakers.




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40 Years of Evidence for Action at APPAM and in the Field

In a special super session at APPAM’s 40th Fall Research Conference, APPAM president-elect Matt Stagner joined a roundtable discussion with industry CEOs who are working to apply insights from our modern data revolution to social science questions and challenges that have spanned generations. Abt Associates CEO Kathleen Flanagan, Impaq International CEO Avi Benus, Mathematica CEO Paul Decker, MDRC president Gordon Berlin, and Urban Institute President Sarah Rosen Wartell shared the most important lessons from their work to advance evidence-based policy, as well as the critical challenges and emerging trends in policy analysis and program improvement.




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Q-CCIIT: Measuring the Quality of Caregiver–Child Interactions: Free Webinar for Early Childhood Professionals

Mathematica will launch a groundbreaking new quality measurement observation tool, now available to the early childhood community (including program administrators, professional development providers, researchers, and others) during a webinar.




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Fe3Pt intermetallic nanoparticles anchored on N-doped mesoporous carbon for the highly efficient oxygen reduction reaction

Chem. Commun., 2020, 56,4898-4901
DOI: 10.1039/D0CC00895H, Communication
Danke Chen, Zhuoyi Li, Yu Zhou, Xu Ma, Hanqing Lin, Wen Ying, Xinsheng Peng
N-Doped mesoporous carbon catalysts dispersed with Fe3Pt intermetallic nanoparticles, exhibiting excellent ORR performance, were synthesised by direct pyrolysis of Pt–Fe co-functionalized ZIF-8.
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Beyond temperature: controlling collagen fibrillogenesis under physiological conditions via interaction with cucurbit[7]uril

Chem. Commun., 2020, 56,4946-4949
DOI: 10.1039/D0CC01444C, Communication
Qiuping Xie, Delong Hou, Jinming Chang, Zhou Xu, Qi Zeng, Zhonghui Wang, Yi Chen
A supramolecular strategy as efficient as temperature that enabled facile control over collagen fibrillogenesis under physiological conditions was reported.
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Ultrasensitive DNA Electrochemical Biosensor Based on MnTBAP Biomimetic Catalyzed AGET ATRP Signal Amplification Reaction

Chem. Commun., 2020, Accepted Manuscript
DOI: 10.1039/D0CC02176H, Communication
Haobo Sun, Yunliang Qiu, Yajie Lu, Jinming Kong, Xueji Zhang
In this paper, an ultrasensitive, highly selective and green electrochemical biosensor for quantifying DNA sequences (aM DNA) based on MnTBAP catalyst for AGET ATRP reaction is proposed. For the first...
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Host-guest interaction based supramolecular photodynamic therapy system: a promising candidate in the battle against cancer

Chem. Commun., 2020, Accepted Manuscript
DOI: 10.1039/D0CC02001J, Feature Article
Kui Yang, Zhihua Zhang, Jie Du, Wei Li, Zhichao Pei
Owing to its spatiotemporal selectivity and noninvasive nature, photodynamic therapy (PDT) has become a promising approach for the treatment of cancer. However, the non-targeting capability and the accompanying side effects...
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Correction: Colloidal synthesis of porous red phosphorus nanoparticles as a metal-free electrocatalyst for the hydrogen evolution reaction

Chem. Commun., 2020, Advance Article
DOI: 10.1039/D0CC90201B, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Cheng-Ying Chan, Chao-Hung Chang, Hsing-Yu Tuan
To cite this article before page numbers are assigned, use the DOI form of citation above.
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The synergy between the CsPbBr3 nanoparticle surface and the organic ligand becomes manifest in a demanding carbon–carbon coupling reaction

Chem. Commun., 2020, 56,5026-5029
DOI: 10.1039/D0CC01339K, Communication
Ignacio Rosa-Pardo, Carla Casadevall, Luciana Schmidt, Miguel Claros, Raquel E. Galian, Julio Lloret-Fillol, Julia Pérez-Prieto
The cooperative action between the CsPbBr3 surface and capping makes the photoredox homo-/cross-coupling of benzyl bromides under mild conditions possible.
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Modulation of an intermediate layer between NiCoP and Ni foam substrate in a microwire array electrode for enhancing the hydrogen-evolution reaction

Chem. Commun., 2020, 56,4990-4993
DOI: 10.1039/D0CC01488E, Communication
Dan Guo, Huayu Chen, Hanmin Tian, Shuxin Ouyang, Jianbo Wang, Jun Lv
A strategy involving modulating the intermediate layer of an electrode was developed to promote the electrocatalysis kinetics of the electrode and therefore enhance its performance.
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Engineering of Decameric D-fructose-6-phosphate Aldolase A by Combinatorial Modulation of Inter- and Intra-subunit Interactions

Chem. Commun., 2020, Accepted Manuscript
DOI: 10.1039/D0CC02437F, Communication
Xiaohong Yang, Lian Wu, Aipeng Li, Lidan Ye, Jiahai Zhou, Hongwei Yu
Combinatorial modulation of inter- and intra-subunit interactions on decameric D-fructose-6-phosphate aldolase A (FSAA) generated a triple-site variant I31T/Q59T/I195Q FSAA with 27 to 278-fold activity improvement towards target heteroaromatic aldehydes. X-ray...
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An integrated approach for content extraction, word segmentation and information presentation from Thai websites / Wigrai Thanadechteemapat

Thanadechteemapat, Wigrai




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Society as an interaction space: a systemic approach / Hanna Lehtimäki, Petri Uusikylä, Anssi Smedlund, editors

Online Resource




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Profit and passion: transactional sex in colonial Mexico / Nicole von Germeten

Hayden Library - HQ151.A5 G47 2018




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Global corruption and ethics management: translating theory into action / edited by Carole L. Jurkiewicz, Purdue University, University of Colorado ; foreword by Stuart C. Gilman and Carol W. Lewis

Dewey Library - BJ1012.J87 2020