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DP4-AI automated NMR data analysis: straight from spectrometer to structure

Chem. Sci., 2020, 11,4351-4359
DOI: 10.1039/D0SC00442A, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Alexander Howarth, Kristaps Ermanis, Jonathan M. Goodman
A robust system for automatic processing and assignment of raw 13C and 1H NMR data DP4-AI has been developed and integrated into our computational organic molecule structure elucidation workflow.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Solid-state NMR spectroscopy: an advancing tool to analyse the structure and properties of metal–organic frameworks

Chem. Sci., 2020, 11,4297-4304
DOI: 10.1039/D0SC00735H, Minireview
Open Access
Eike Brunner, Marcus Rauche
Metal–organic frameworks (MOFs) gain increasing interest due to their outstanding properties like extremely high porosity, structural variability, and various possibilities for functionalization.
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Chemical synthesis and immunological evaluation of new generation multivalent anticancer vaccines based on a Tn antigen analogue

Chem. Sci., 2020, 11,4488-4498
DOI: 10.1039/D0SC00544D, Edge Article
Open Access
Carlo Pifferi, Ane Ruiz-de-Angulo, David Goyard, Claire Tiertant, Nagore Sacristán, Diego Barriales, Nathalie Berthet, Juan Anguita, Olivier Renaudet, Alberto Fernández-Tejada
A fully-synthetic anticancer vaccine candidate incorporating an hexadecavalent Tn antigen analogue display via oxime linkages induced tumor-specific IgG antibodies and cellular immune responses in mice coadministered with QS-21 as an adjuvant.
The content of this RSS Feed (c) The Royal Society of Chemistry




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The structures of ordered defects in thiocyanate analogues of Prussian Blue

Chem. Sci., 2020, 11,4430-4438
DOI: 10.1039/D0SC01246G, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Matthew J. Cliffe, Evan N. Keyzer, Andrew D. Bond, Maxwell A. Astle, Clare P. Grey
We report the structures of six new divalent transition metal hexathiocyanatobismuthate Prussian Blue analogues frameworks, which contain complex ordered defect structures.
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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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Exploratory Subgroup Analyses in Clinical Research


 

This essential guide on subgroup analyses in the emerging area of personalized medicine covers the issues of subgroup analyses from a practical and a theoretical/methodological point of view. The practical part introduces the issues using examples from the literature where subgroup analyses led to unexpected or difficult-to-interpret results, which have been interpreted differently by different stakeholders. On the technical side, the book addresses



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Montgomery's Design Analysis Experiments Global Edition


 
Montgomery's Design and Analysis of Experiments continues to help students in engineering, business, and statistics-as well as working practitioners-to design and analyze experiments for improving the quality, efficiency and performance of working systems.

This bestselling text maintains its comprehensive coverage by including: new examples, exercises, and problems (including in the areas of biochemistry and biotechnology); new topics and problems



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End-to-end Data Analytics for Product Development: A Practical Guide for Fast Consumer Goods Companies, Chemical Industry and Processing Tools Manufacturers


 

An interactive guide to the statistical tools used to solve problems during product and process innovation

End to End Data Analytics for Product Development is an accessible guide designed for practitioners in the industrial field. It offers an introduction to data analytics and the design of experiments (DoE) whilst covering the basic statistical concepts useful to an understanding of DoE. The text supports product innovation and development across



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Univariate, Bivariate, and Multivariate Statistics Using R: Quantitative Tools for Data Analysis and Data Science


 

A practical source for performing essential statistical analyses and data management tasks in R

Univariate, Bivariate, and Multivariate Statistics Using R offers a practical and very user-friendly introduction to the use of R software that covers a range of statistical methods featured in data analysis and data science. The author— a noted expert in quantitative teaching —has written a quick go-to reference for performing essential statistical analyses



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Mathematical Analysis I: Approximation Theory: ICRAPAM 2018, New Delhi, India, October 23-25 / Naokant Deo, Vijay Gupta, Ana Maria Acu, P. N. Agrawal, editors

Online Resource




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Shape variation and optimization: a geometrical analysis / Antoine Henrot, Michel Pierre

Hayden Library - QA641.H475313 2018




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Development of a numerical simulation method for rocky body impacts and theoretical analysis of asteroidal shapes / Keisuke Sugiura

Online Resource




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Mathematical analysis and applications in modeling: ICMAAM 2018, Kolkata, India, January 9-12 / Priti Kumar Roy, Xianbing Cao, Xue-Zhi Lu, Pratulananda Das, Satya Deo, editors

Online Resource




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Cyber security intelligence and analytics: proceedings of the 2020 International Conference on Cyber Security Intelligence and Analytics (CSIA 2020). / Zheng Xu, Reza M. Parizi, Mohammad Hammoudeh, Octavio Loyola-González, editors

Online Resource




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Progress in computing, analytics and networking: proceedings of ICCAN 2019 / Himansu Das, Prasant Kumar Pattnaik, Siddharth Swarup Rautaray, Kuan-Ching Li, editors

Online Resource




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Cyber security intelligence and analytics: Proceedings of the 2020 International Conference on Cyber Security Intelligence and Analytics (CSIA 2020). / Zheng Xu, Reza M. Parizi, Mohammad Hammoudeh, Octavio Loyola-González, editors

Online Resource




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From analysis to visualization: a celebration of the life and legacy of Jonathan M. Borwein, Callaghan, Australia, September 2017 / David H. Bailey, Naomi Simone Borwein, Richard P. Brent, Regina S. Burachik, Judy-anne Heather Osborn, Brailey Sims, Qiji J

Online Resource




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Statistics for data science and policy analysis Azizur Rahman, editor

Online Resource




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Comparative analysis of deterministic and nondeterministic decision trees / Mikhail Moshkov

Online Resource




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Analisi di bilancio [electronic resource] : lettura e interpretazione / Claudio Teodori

Teodori, Claudio, author




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Enterprise Resource Planning and Business Intelligence Systems for Information Quality [electronic resource] : An Empirical Analysis in the Italian Setting / by Carlo Caserio, Sara Trucco

Caserio, Carlo, author




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Uchët. Analiz. Audit (Online)




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Customer Accounting [electronic resource]: Creating Value with Customer Analytics

Bonacchi, Massimiliano




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The essentials of financial analysis [electronic resource] / by Samuel Weaver

Weaver, Samuel C




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Financial accounting for management [electronic resource] : an analytical perspective / Ambrish Gupta

Gupta, Ambrish, author




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Financial accounting for management [electronic resource] : an analytical perspective / Ambrish Gupta

Gupta, Ambrish, author




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The legacy of Arthur Andersen [electronic resource] : a model for excellence / Carmelo Canales, Francisco López

Canales, Carmelo, author




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El legado de Arthur Andersen [electronic resource] : un modelo de culto a la excelencia / Carmelo Canales, Francisco López

Canales, Carmelo, author




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Statistical techniques for forensic accounting [electronic resource] : understanding the theory and application of data analysis / Saurav K. Dutta

Dutta, Saurav K., 1963- author




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Construction and analysis of safe, secure, and interoperable smart devices [electronic resource] : second international workshop, CASSIS 2005, Nice, France, March 8-11, 2005 : revised selected papers / Gilles Barthe [and others] (eds.)

Berlin ; New York : Springer, [2006]




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Construction and analysis of safe, secure, and interoperable smart devices [electronic resource] : international workshop, CASSIS 2004, Marseille, France, March 10-14, 2004 : revised selected papers / Gilles Barthe [and others] (eds.)

Berlin ; New York : Springer, [2005]




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Colorimetric absorbance mapping and quantitation on paper-based analytical devices

Lab Chip, 2020, 20,1441-1448
DOI: 10.1039/D0LC00028K, Paper
Open Access
Yoshiki Soda, Kye J. Robinson, Thomas J. Cherubini, Eric Bakker
A pixel-level colorimetric absorbance analysis can measure the total quantity of dye on paper, irrespective of shape and size.
The content of this RSS Feed (c) The Royal Society of Chemistry




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An implantable multifunctional neural microprobe for simultaneous multi-analyte sensing and chemical delivery

Lab Chip, 2020, 20,1390-1397
DOI: 10.1039/D0LC00021C, Communication
Bo Wang, Ximiao Wen, Yan Cao, Shan Huang, Hoa A. Lam, Tingyi “Leo” Liu, Pei-Shan Chung, Harold G. Monbouquette, Pei-Yu Chiou, Nigel T. Maidment
PDMS thin-film transfer and enzyme microstamping enabled 3-in-1 Si/PDMS hybrid chemtrode for multi-analyte sensing and chemical delivery in vivo.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Mathematical modeling and computational analysis of centrifugal microfluidic platforms: a review

Lab Chip, 2020, 20,1318-1357
DOI: 10.1039/C9LC00775J, Critical Review
Open Access
Masoud Madadelahi, Luis F. Acosta-Soto, Samira Hosseini, Sergio O. Martinez-Chapa, Marc J. Madou
This paper focuses on theory and computational modelling of lab-on-a-disc devices of relevance for novel applications discovery and optimal designs.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Multiplexed homogeneous digital immunoassay based on single-particle motion analysis

Lab Chip, 2020, Advance Article
DOI: 10.1039/D0LC00079E, Paper
Kenji Akama, Hiroyuki Noji
Homogeneous digital immunoassay is a powerful analytical method for highly sensitive biomarker detection with a simple protocol. By using this method, we demonstrated the simultaneous multiple protein detection.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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A Web-based Automated Machine Learning Platform to Analyze Liquid Biopsy Data

Lab Chip, 2020, Accepted Manuscript
DOI: 10.1039/D0LC00096E, Paper
Hanfei Shen, Tony Liu, Jesse Cui, Piyush Borole, Ari Benjamin, Konrad Kording, David Issadore
Liquid biopsy (LB) technologies continue to improve in sensitivity, specificity, and multiplexing and can measure an ever growing library of disease biomarkers. However, clinical interpretation of the increasingly large sets...
The content of this RSS Feed (c) The Royal Society of Chemistry




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[ASAP] POLARIS: Path of Least Action Analysis on Energy Landscapes

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01108




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[ASAP] Live Analysis and Reconstruction of Single-Particle Cryo-Electron Microscopy Data with CryoFLARE

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01102




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[ASAP] Exploring Conformational Space with Thermal Fluctuations Obtained by Normal-Mode Analysis

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01136




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[ASAP] Context Aware Data-Driven Retrosynthetic Analysis

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01141




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[ASAP] Matched Molecular Series Analysis for ADME Property Prediction

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00269




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Revelation: from metaphor to analogy / Richard Swinburne

Online Resource




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The Arabic Freud: Psychoanalysis and Islam in Modern Egypt / Omnia El Shakry

Rotch Library - BP190.5.P78 E47 2017




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Knot of the soul: madness, psychoanalysis, Islam / Stefania Pandolfo

Dewey Library - BP190.5.P78 P36 2018




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Mathematical and theoretical neuroscience: cell, network and data analysis / Giovanni Naldi, Thierry Nieus, editors

Online Resource




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Analysis and classification of EEG signals for brain-computer interfaces / Szczepan Paszkiel

Online Resource




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The content analysis guidebook [electronic resource] / Kimberly A. Neuendorf, Cleveland State University

Neuendorf, Kimberly A., author




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Education, modern development, and indigenous knowledge [electronic resource] : an analysis of academic knowledge production / Seana McGovern

McGovern, Seana




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Gender, Masculinity and Video Gaming [electronic resource] : Analysing Reddit's r/gaming Community / by Marcus Maloney, Steven Roberts, Timothy Graham

Maloney, Marcus. author




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Neither capital nor class [electronic resource] : a critical analysis of Pierre Bourdieu's theoretical framework / Jacek Tittenbrun

Tittenbrun, Jacek, author