ela

Quantitative read-across structure–property relationship (q-RASPR): a novel approach to estimate the bioaccumulative potential for diverse classes of industrial chemicals in aquatic organisms

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00374H, Paper
Prodipta Bhattacharyya, Pabitra Samanta, Ankur Kumar, Shubha Das, Probir Kumar Ojha
The Bioconcentration Factor (BCF) is used to evaluate the bioaccumulation potential of chemical substances in reference organisms, and it directly correlates with ecotoxicity.
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ela

Time, space, matter in translation / edited by Pamela Beattie, Simona Bertacco and Tarjana Soldat-Jaffe.

Abingdon, Oxon ; New York, NY : Routledge, 2023.




ela

A strained partnership? : US-UK relations in the era of détente, 1969-77 [Electronic book] / Thomas Robb.

Manchester : Manchester University Press, [2018]




ela

Spiritual friendship [Electronic book] / Aelred of Rievaulx ; translated by Lawrence C. Braceland, SJ ; edited and introduction Marsha L. Dutton.

Collegeville, Minnesota : Liturgical Press, [2010]




ela

Special relationships [Electronic book] / ed. by Bridget Bennett, Janet Beer.

Manchester : Manchester University Press, [2018]




ela

A 'special relationship'? : Harold Wilson, Lyndon B. Johnson and Anglo-American relations 'at the summit', 1964-68 [Electronic book] / Jonathan Colman.

Manchester : Manchester University Press, [2018]




ela

Seriality and texts for young people : the compulsion to repeat [Electronic book] / edited by Mavis Reimer, Nyala Ali, Deanna England and Melanie Dennis Unra.

Houndmills, Basingstoke ; New York, NY : Palgrave Macmillan, 2014.




ela

The Science-Media Interface : On the Relation Between Internal and External Science Communication [Electronic book] / ed. by Irene Broer, Steffen Lemke, Athanasios Mazarakis, Isabella Peters, Christian Zinke-Wehlmann.

Berlin ; Boston : De Gruyter Saur, [2023]




ela

Relational pedagogies: connections and mattering in higher education [Electronic book]/ Karen Gravett.

London: Bloomsbury Academic. 2022




ela

Population, providence and empire : The churches and emigration from nineteenth-century Ireland [Electronic book] / Sarah Roddy.

Manchester : Manchester University Press, [2019]




ela

Die politische und soziale Bedeutung der Naqsbandiyya in Mittelasien im 15. Jahrhundert [Electronic book] / Jürgen Paul.

Berlin ; Boston : Walter De Gruyter, [2010]




ela

Materialität, Inschriftlichkeit und schrifttragende Artefakte im mittelalterlichen Rom [Electronic book] / hrsg. von Wolf Zöller.

Berlin ; Boston : De Gruyter, [2023]




ela

Market relations and the competitive process [Electronic book] / ed. by Stan Metcalfe, Alan Warde.

Manchester : Manchester University Press, [2018]




ela

Life above the clouds : philosophy in the films of Terrence Malick [Electronic book] / edited by DeLay Steven.

Albany : State University of New York Press, 2023.




ela

Ireland, slavery and the Caribbean : interdisciplinary perspectives [Electronic book] / edited by Finola O'Kane, Ciarán O'Neill.

Manchester : Manchester University Press, 2023.




ela

Improper modernism : Djuna Barnes's bewildering corpus [Electronic book] / Daniela Caselli.

Abingdon : Routledge, 2016.




ela

Implementing international environmental agreements in Russia [Electronic book] / Geir Hønneland, Anne-Kristen Jorgensen.

Manchester : Manchester University Press, [2018]




ela

The gothic novel in Ireland, ‹i›c.‹/i› 1760-1829 [Electronic book] / Christina Morin.

Manchester : Manchester University Press, [2018]




ela

A global clan : Scottish migrant networks and identities since the eighteenth century [Electronic book] / edited by Angela McCarthy.

London ; New York : Tauris Academic Studies, 2006.




ela

Genealogisches Wissen in Mittelalter und Früher Neuzeit : Konstruktion - Darstellung - Rezeption [Electronic book] / hrsg. von Giuseppe Cusa, Thomas Dorfner.

München ; Wien : De Gruyter Oldenbourg, [2023]




ela

Gender and Protest : On the Historical and Contemporary Interrelation of Two Social Phenomena [Electronic book] / ed. by Jowan A. Mohammed, Frank Jacob.

München ; Wien : De Gruyter Oldenbourg, [2023]




ela

Gelassene Teilnahme : Formen urbaner Muße im Werk Goethes [Electronic book] / Peter Philipp Riedl.

[s.l.] : Mohr Siebeck GmbH & Co. KG, 2023.




ela

A companion to medical anthropology [Electronic book] / edited by Merrill Singer, Pamela I. Erickson, and César E. Abadía-Barrero.

Hoboken, NJ : John Wiley & Sons, Inc., 2022.




ela

China-Africa relations : building images through cultural cooperation, media representation and communication [Electronic book] / edited by Kathryn Batchelor and Xiaoling Zhang.

Abingdon, Oxon : Routledge, 2017.




ela

Bog bodies : Face to face with the past [Electronic book] / Melanie Giles.

Manchester : Manchester University Press, [2020]




ela

Der Beibringungsgrundsatz : Eine Rechtfertigung unter besonderer Berücksichtigung der Passivität der nicht beweisbelasteten Partei [Electronic book] / Alexander Morell.

[s.l.] : Mohr Siebeck GmbH & Co. KG, 2023.




ela

Beckett and Nothing : Trying to understand Beckett [Electronic book] / ed. by Daniela Caselli.

Manchester : Manchester University Press, [2020]




ela

Arctic governance : Power in cross-border cooperation [Electronic book] / Elana Wilson Rowe.

Manchester : Manchester University Press, [2018]




ela

All our relations : indigenous trauma in the shadow of colonialism [Electronic book] / Tanya Talaga.

Melbourne ; London : Scribe, 2020.




ela

Across the margins : Cultural Identity and Change in the Atlantic Archipelago [Electronic book] / ed. by Gerry Smyth, Glenda Norquay.

Manchester : Manchester University Press, [2018]




ela

Accurate and Interpretable Representation of Correlated Electronic Structure via Tensor Product Selected CI

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00049H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Nicole M Braunscheidel, Arnab Bachhar, Nicholas J. Mayhall
The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in drawing physical...
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ela

On the notion of strong correlation in electronic structure theory

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00066H, Paper
Brad Ganoe, James Shee
Strong correlation has been said to have many faces, and appears to have many synonyms of questionable suitability. In this work we aim not to define the term once and...
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ela

Orbital optimisation in xTC transcorrelated methods

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00036F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Daniel Kats, Evelin Martine Corvid Christlmaier, Thomas Schraivogel, Ali Alavi
We present a combination of the bi-orthogonal orbital optimisation framework with the recently introduced xTC version of transcorrelation. This allows us to implement non-iterative perturbation based methods on top of...
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ela

Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00039K, Paper
Erika Magnusson, Aaron Fitzpatrick, Stefan Knecht, Martin Rahm, Werner Dobrautz
The near-term utility of quantum computers is hindered by hardware constraints in the form of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease the...
The content of this RSS Feed (c) The Royal Society of Chemistry




ela

Unraveling the Correlation between Biological Effects and Halogen Substituents in Cobalt bis(dicarbollide)

Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI02296C, Research Article
Katarzyna Zakret-Drozdowska, Bożena Szermer-Olearnik, Waldemar Goldeman, Michalina Gos, Dawid Drozdowski, Anna Gągor, Tomasz M. Goszczyński
Over the past decade, considerable scientific attention has been given to adapting cobalt bis(dicarbollides) as innovative agents with various biomedical applications. Although the studied compounds show great potential in this...
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ela

High-throughput viscoelastic characterization of cells in hyperbolic microchannels

Lab Chip, 2024, Advance Article
DOI: 10.1039/D3LC01061A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Felix Reichel, Ruchi Goswami, Salvatore Girardo, Jochen Guck
We use hyperbolic microchannels to create a flow field with linearly increasing velocity, leading to a constant tensile stress to probe the viscoelastic properties of cells. We verify our approach on oil droplets and polyacrylamide beads.
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ela

Linear scaling relationships in homogeneous photoredox catalysis

React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00419A, Communication
Kareesa J. Kron, Shaama Mallikarjun Sharada
In the photoredox catalytic cycle of CO2 reduction with organic chromophores, this work observes a linear relationship between the energies of (desirable) electron transfer to CO2 and (undesirable) carboxylation of the chromophore radical anion.
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ela

A computational study of nematic core structure and disclination interactions in elastically anisotropic nematics

Soft Matter, 2024, 20,2900-2914
DOI: 10.1039/D3SM01616A, Paper
Lucas Myers, Carter Swift, Jonas Rønning, Luiza Angheluta, Jorge Viñals
The structure of isolated disclinations and disclination dipoles in anisotropically elastic nematic liquid crystals is explored via a singular potential computational model.
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ela

A bio-inspired co-simulation crawling robot enabled by a carbon dot-doped dielectric elastomer

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00029C, Paper
Yubing Han, Bori Shi, En Xie, Peng Huang, Yaozhong Zhou, Chang Xue, Weijia Wen, Huayan Pu, Mengying Zhang, Jinbo Wu
The introduction of NCDs@SiO2 cluster particles not only improves the mechanical and dielectric properties of an elastomer but also exhibits fluorescence and actuation response under the co-stimulation of UV and electricity, respectively.
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ela

Deformation-dependent gel surface topography due to the elastocapillary and osmocapillary effects

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00139G, Paper
Open Access
Luochang Wang, Qihan Liu
Elastocapillary and osmocapillary effects can roughen a stretched surface although the elastic Poisson’s effect always flattens a stretched surface.
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ela

Achieving controllable and reversible snap-through in pre-strained strips of liquid crystalline elastomers

Soft Matter, 2024, 20,3256-3270
DOI: 10.1039/D4SM00037D, Paper
Open Access
James T. Waters, Anna C. Balazs
Deformable, elastic materials that buckle in response to external stimuli can display “snap-through”, which involves a transition between different, stable buckled states.
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ela

Effect of surface viscoelasticity on top jet drops produced by bursting bubbles

Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00243A, Paper
Zhengyu Yang, Sainath Barbhai, Bingqiang Ji, Jie Feng
Jet drops resulting from bubble bursting at a liquid surface play a key role in various mass transfer processes across the interface, including sea spray aerosol generation and pathogen transmission....
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ela

In situ aggregation and early states of gelation of gold nanoparticle dispersions

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00080C, Paper
Florian Schulz, Avni Jain, Francesco Dallari, Verena Markmann, Felix Lehmkühler
The aggregation and onset of gelation of PEGylated gold nanoparticles dispersed in a glycerol–water mixture is studied by small-angle X-ray scattering and X-ray photon correlation spectroscopy.
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ela

Research on preparation and related properties of macro–micro porous mullite ceramic skeletons via twice pore-forming technology

RSC Adv., 2024, 14,12624-12632
DOI: 10.1039/D4RA01277A, Paper
Open Access
Chunxia Xu, Rui Hu, Ying Liu, Zhe Chen, Zhen Liu, Wenbin Han
The macro–micro composite porous mullite ceramic skeletons were prepared using coal gangue and α-Al2O3 as main raw materials via twice pore-forming technology. The main phase of the porous ceramic skeletons is mullite.
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ela

Novel supramolecular luminescent metallogels containing Tb(III) and Eu(III) ions with benzene-1,3,5-tricarboxylic acid gelator: advancing semiconductor applications in microelectronic devices

RSC Adv., 2024, 14,12829-12840
DOI: 10.1039/D3RA07903A, Paper
Open Access
Subhendu Dhibar, Aiswarya Mohan, Kripasindhu Karmakar, Bijnaneswar Mondal, Arpita Roy, Saranya Babu, Parul Garg, Pradip Ruidas, Subham Bhattacharjee, Sanjay Roy, Ashok Bera, Soumya Jyoti Ray, Padmanabhan Predeep, Bidyut Saha
Supramolecular metallogels with Tb(III)- and Eu(III)-ions, formed using benzene-1,3,5-tricarboxylic acid, display remarkable stability at room temperature. They hold promise for use in electronics, notably as reliable ambient Schottky barrier diodes.
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ela

Bioactive O^N^O^ Schiff base appended homoleptic titanium(IV) complexes: DFT, BSA/CT-DNA interactions, molecular docking and antitumor activity against HeLa and A549 cell lines

RSC Adv., 2024, 14,13062-13082
DOI: 10.1039/D3RA08574K, Paper
Open Access
Sathish Thanigachalam, Madhvesh Pathak
Five new homoleptic derivatives of titanium(IV) have been developed and characterized by physicochemical techniques.
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ela

Mechanics of biomimetic free-standing lipid membranes: insights into the elasticity of complex lipid compositions

RSC Adv., 2024, 14,13044-13052
DOI: 10.1039/D4RA00738G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Alessandra Griffo, Carola Sparn, Fabio Lolicato, Friederike Nolle, Navid Khangholi, Ralf Seemann, Jean-Baptiste Fleury, Martin Brinkmann, Walter Nickel, Hendrik Hähl
In this study, we prepare pore-spanning membranes that mimic the composition of plasma membranes and perform force spectroscopy indentation measurements to unravel mechanistic insights depending on lipid composition.
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ela

Self-supplying Cu2+ and H2O2 synergistically enhancing disulfiram-mediated melanoma chemotherapy

RSC Adv., 2024, 14,13180-13189
DOI: 10.1039/D4RA01075B, Paper
Open Access
Yingqian Gao, Xiaojun Cai, Weijuan Zou, Xiuzhen Tang, Lixian Jiang, Junnian Hao, Yuanyi Zheng, Xinhua Ye, Tao Ying, Ao Li
Disulfiram (DSF) can target and kill cancer cells by disrupting cellular degradation of extruded proteins and has therefore received particular attention for its tumor chemotherapeutic potential.
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ela

On the use of modelling antagonistic enzymes to aid in temporal programming of pH and PVA–borate gelation

Mol. Syst. Des. Eng., 2024, 9,372-381
DOI: 10.1039/D3ME00138E, Paper
Open Access
Nadeem Bashir, Anna S. Leathard, Madeline McHugh, Imogen Hoffman, Fahima Shaon, Jorge A. Belgodere, Annette F. Taylor, John A. Pojman
A model was developed to help predict how enzymes can be used to temporally control the gelation of polyvinyl alcohol (PVA) with borate.
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ela

Mechanical properties and molecular adhesion exhibited by inorganic–organic composite elastomers

Polym. Chem., 2024, 15,4196-4203
DOI: 10.1039/D4PY00879K, Paper
Naoki Yamashita, Ryohei Ikura, Kenji Yamaoka, Nobu Kato, Masanao Kamei, Kentaro Ogura, Minoru Igarashi, Hideo Nakagawa, Yoshinori Takashima
Organic–inorganic composite elastomers with reversible cross-links formed by β-cyclodextrin and adamantane (Ad) were prepared. Excess Ad units improve the mixability of polydimethylsiloxane and poly(ethyl acrylate) to increase the healing ratio.
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