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

By pubs.rsc.org
Published On ::

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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Self-assembly of rod–coil–rod block copolymers in a coil-selective solvent: coarse-grained simulation results

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Soft Matter, 2024, 20,3131-3142
DOI: 10.1039/D4SM00251B, Paper
Chiraz Toujani, Luis A. Padilla, Nour Alhraki, Su-Mi Hur, Abelardo Ramírez-Hernández
Parameters that govern the self assembly of a symmetric triblock copolymer.
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A Passive Star Polymer in a Dense Active Bath: Insights from Computer Simulations

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Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00144C, Paper
Ramanand Singh Yadav, Sanaa Sharma, Ralf Metzler, Rajarshi Chakrabarti
Using computer simulations in two dimensions (2D), we explore the structure and dynamics of a star polymer with three arms made of passive monomers immersed in a bath of active...
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Lock-Key Microfluidics: Simulating Nematic Colloid Advection along Wavy-Walled Channels

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Published On ::

Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D3SM01536J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Karolina Wamsler, Louise C Head, Tyler Nathan Shendruk
Liquid crystalline media mediate interactions between suspended particles and confining geometries, which not only has potential to guide patterning and bottom-up colloidal assembly, but can also control colloidal migration in...
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In silico design of misfolding resistant proteins: the role of structural similarity of a competing conformational ensemble in the optimization of frustration

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Soft Matter, 2024, 20,3283-3298
DOI: 10.1039/D4SM00171K, Paper
Bondeepa Saikia, Anupaul Baruah
The degree of similarity of the non-native conformations to the target plays a prominent role in designing misfolding resistant protein sequences.
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Critical Casimir forces in soft matter

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Soft Matter, 2024, 20,3212-3242
DOI: 10.1039/D3SM01408H, Review Article
A. Gambassi, S. Dietrich
We review recent advances in the theoretical, numerical, and experimental studies of critical Casimir forces in soft matter, with particular emphasis on their relevance for the structures of colloidal suspensions and on their dynamics.
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Theory and simulation of ligand functionalized nanoparticles – a pedagogical overview

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00177J, Review Article
Thi Vo
Synthesizing reconfigurable nanoscale synthons with predictive control over shape, size, and interparticle interactions is a holy grail of bottom-up self-assembly.
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CFD simulation of silica dispersion/natural rubber latex mixing for high silica content rubber composite production

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RSC Adv., 2024, 14,12612-12623
DOI: 10.1039/D4RA01348D, Paper
Open Access
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Ekaroek Phumnok, Phonsan Saetiao, Panut Bumphenkiattikul, Sukrittira Rattanawilai, Parinya Khongprom
The impeller configuration significantly influences on the hydrodynamics and mixing performance. The optimum design is the Ruston turbine with six blades set at 45 angle. The Norwood and Metzner scaling criteria is reliable to scale up of natural latex containing high silica content stirred tank.
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Quinazolines and thiazolidine-2,4-dions as SARS-CoV-2 inhibitors: repurposing, in silico molecular docking and dynamics simulation

By pubs.rsc.org
Published On ::

RSC Adv., 2024, 14,13237-13250
DOI: 10.1039/D4RA02029D, Paper
Open Access
Sanadelaslam S. A. El-Hddad, Mohamed H. Sobhy, Ahmed El-morsy, Nabil A. Shoman, Khaled El-Adl
This paper presents an extensive analysis of COVID-19 with a specific focus on VEGFR-2 inhibitors as potential treatments.
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Two-state nanocomposite based on symmetric diblock copolymer and planar nanoparticles: mesoscopic simulation

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Mol. Syst. Des. Eng., 2024, 9,409-422
DOI: 10.1039/D3ME00176H, Paper
Maxim Malyshev, Daria Guseva, Pavel Komarov
A method for controlling the distribution and orientation of 2D fillers in the copolymer matrix is presented.
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Simple oxime functionalized fluorene polymers for organic solar cells

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Polym. Chem., 2024, 15,4474-4481
DOI: 10.1039/D4PY00919C, Paper
Open Access
Abdullah Adewale Adeoba, Xiangyu Shen, Fuzhen Bi, Jianan Niu, Mingxin Sun, Shuguang Wen, Xichang Bao
A novel oxime-functionalized fluorene is used as an acceptor unit with a BDT donor in conjugated D–A polymers. Organic solar cell devices made with a Y6 non-fullerene acceptor give a power conversion efficiency of 10.71%.
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A simple hydrogen peroxide-activatable Bodipy for tumor imaging and type I/II photodynamic therapy

By pubs.rsc.org
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J. Mater. Chem. B, 2024, 12,11165-11171
DOI: 10.1039/D4TB01650E, Paper
Fangqing Ge, Yujie Sun, Yu Wang, Dan Yu, Zhijia Wang, Fabiao Yu, Bingran Yu, Hongbing Fu
A H2O2-activatable Bodipy with simultaneous type I and type II photosensitization was designed for tumor imaging and therapy.
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Correction: Blood-clotting model and simulation analysis of polyvinyl alcohol–chitosan composite hemostatic materials

By pubs.rsc.org
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J. Mater. Chem. B, 2024, 12,11265-11266
DOI: 10.1039/D4TB90174F, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Yifan Zhao, Junhong Hao, Zexin Chen, Mengmeng Li, Jianxun Ren, Xiaobing Fu
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Nanomaterials and methods for cancer therapy: 2D materials, biomolecules, and molecular dynamics simulations

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J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01667J, Review Article
Welela M. Kedir, Lunna Li, Yaw Sing Tan, Natasa Bajalovic, Desmond K. Loke
Nanomaterials made from 2D semiconductors and biomolecules are reviewed. Cell-nanoparticle interactions are examined in recent simulations. These nanomaterials and MD simulations reveal novel mechanisms and enable cancer drug delivery and targeting.
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Will India's Akshat Singh win Simon Cowell's heart?

By www.rediff.com
Published On :: Fri, 24 May 2019 08:45:00 +0530

'I want to tell everyone that whether you are fat, slim, tall, short, black or white, it does not matter. What you are doing from the bottom of your heart is what matters.'


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Alterations of the chemical profile of cholesterol in cancer tissue as traced with ToF-SIMS

By pubs.rsc.org
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Analyst, 2024, 149,5344-5352
DOI: 10.1039/D4AN01050G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Auraya Manaprasertsak, Julhash U. Kazi, Catharina Hagerling, Kenneth J. Pienta, Per Malmberg, Emma U. Hammarlund
This study uses Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) to analyze cholesterol alterations in cancer tissue, revealing changes in fragmentation and isotopes that suggest potential diagnostic vulnerabilities.
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A simple spectrogram model for high-accuracy spectral calibration of VIPA spectrometers

By pubs.rsc.org
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Analyst, 2024, 149,5455-5462
DOI: 10.1039/D4AN00965G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Hao Zhou, Weixiong Zhao, Weihua Cui, Bingxuan Lv, Bo Fang, Nana Yang, Guangfeng Xiang, Weijun Zhang, Lunhua Deng, Weidong Chen
A simple five-parameters spectrogram model for the VIPA spectrometer frequency calibration is developed, which has the advantages of high accuracy, simple setup and easy-to-solve.
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Material-agnostic characterization of spatially offset Raman spectroscopy in turbid media via Monte Carlo simulations

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Analyst, 2024, 149,5463-5475
DOI: 10.1039/D4AN01044B, Paper
Zuriel Erikson Joven, Piyush Raj, Ishan Barman
Monte Carlo simulations of spatially offset Raman spectroscopy (SORS) produce widely-applicable, quantitative frameworks for optimizing and interpreting SORS experiments.
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Designing a novel paper-based microfluidic disc for rapid and simultaneous determination of multiple nutrient salts in water

By pubs.rsc.org
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Analyst, 2024, 149,5563-5571
DOI: 10.1039/D4AN01127A, Paper
Zhentao Sun, Youquan Zhao, Yameng Liu, Chen Chen, Hao Chen
A paper-based microfluidic disc is used for the rapid determination of various nutrients in water.
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Densification of sodium and magnesium aluminosilicate glasses at ambient temperature: structural investigations by solid-state nuclear magnetic resonance and molecular dynamics simulations

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27348-27362
DOI: 10.1039/D4CP02431A, Paper
Millena Logrado, Yara Hellen Firmo Gomes, Tomiki Inoue, Shingo Nakane, Yoshinari Kato, Hiroki Yamazaki, Akihiro Yamada, Hellmut Eckert
Superposition of 17O triple-quantum magic-angle spinning NMR spectra of 20MgO–20Al2O3–60SiO2 (MAS**) and 20Na2O–20Al2O3–60SiO2 (NAS**) glasses prepared at ambient pressure (AP) and pressurized and decompressed at 25 GPa at room temperature (HP(25)).
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Simulated conformality of atomic layer deposition in lateral channels: the impact of the Knudsen number on the saturation profile characteristics

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP00131A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Christine Gonsalves, Jorge A. Velasco, Jihong Yim, Jänis Järvilehto, Ville Vuorinen, Riikka L. Puurunen
Systematic analysis of saturation profile characteristics allowed development of an extended slope method that relates the slope of the adsorption front to the sticking coefficient for any Knudsen number.
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Experimental and simulation study of reverse micelles formed by aerosol-OT and water in non-polar solvents

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27772-27782
DOI: 10.1039/D4CP03389B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Angie Mat'usová, Georgina Moody, Peter J. Dowding, Julian Eastoe, Philip J. Camp
Small-angle neutron scattering and molecular dynamics simulations are used to characterise aerosol-OT reverse micelles. Simulations capture spontaneous self-assembly, compare favourably with experiments, and give microscopic information.
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Optimization of preparation conditions and design of device configurations for Cu3AsS4 solar cells: a combined study of first-principles calculations and SCAPS-1D device simulations

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03392B, Paper
Yi Huang, Changqing Lin, Yang Xue, Bingyuan Huang, Dan Huang
Former studies have investigated the band structure and optoelectronic properties of Cu3AsS4 and suggested that it is a promising photovoltaic (PV) absorber. However, its power conversion efficiency (PCE) from experiments...
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Investigation on the combustion mechanism for NF3/H2 in DF/HF chemical lasers: a new perspective based on deep potential molecular dynamics simulations

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03014A, Paper
Yinhua Ma, Dongmei Mu, Meiheng Lv, Nan Wang, Huaxin Liu, Fangjian Shang, Jianyong Liu
Combustion-driven deuterium fluoride/hydrogen fluoride (DF/HF) lasers are a crucial type of chemical lasers.
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Simulation study of the conformation and dynamics of substrate-supported ring and linear polymer films

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02794A, Paper
Jianhua Huang, Hongzhu Ji, Jin Zhang, Zhunpeng Wang
Ring polymers in substrate-supported films exhibit stronger adsorbability, less deformation, and similar dynamics suppression compared to linear polymers.
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Structure and dynamics of aqueous VOSO4 solutions in conventional flow through cell design: a molecular dynamics simulation study

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02934H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Anwesa Karmakar
A theoretical model has been proposed to study the structure and dynamics of aqueous vanadyl sulfate (VOSO4) solution used in the conventional flow (CF) through cell design operating under varying thermodynamic conditions.
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Sarthak, Rakshitha, Basim, and Kaushik complete the double

By www.thehindu.com
Published On :: Sun, 16 Jun 2024 19:57:39 +0530


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Supramolecular self-sorting predicted by a simple harmonic oscillator model

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Published On ::

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05336B, Communication
Open Access
Adriana Sacristán-Martín, Nerea Álvarez-Llorente, Eric Masson, Alberto Diez-Varga, Héctor Barbero
The self-sorting process of homobimetallic Pt(II) terpyridyl acetylide dimers secured by a pair of Cucurbit[8]uril macrocycles with recognition motif mismatch can be quantified using a model comprising two coupled harmonic oscillators.
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Synthesis, anticancer activity and molecular simulation of N-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thioureas containing pyrimidine ring

By pubs.rsc.org
Published On ::

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00209A, Paper
Vu Ngoc Toan, Nguyen Dinh Thanh, Do Son Hai, Nguyen Minh Tri
A series of thioureas 7a-k containing pyrimidine and D-glucose moiety have been synthesized through the reaction between substituted 2-aminopyrimidines 3a-k and tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate 6. The yields achieved were 55‒77%. The...
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Peptide-linked perylenebisimide and ferrocene dicarboxylic acid conjugates with tunable optoelectronic properties

By pubs.rsc.org
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New J. Chem., 2024, 48,7225-7234
DOI: 10.1039/D3NJ05809C, Paper
Biswanath Hansda, Soumyajit Hazra, Niladri Hazra, Purnadas Ghosh, Arindam Banerjee
Peptide linked perylenebisimide and ferrocene dicarboxylic acid conjugates display wonderful and tunable optoelectronic properties.
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Unraveling the inhibitory potential of Rosetta designed de novo cyclic peptides on PARP7 through molecular dynamics simulations

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New J. Chem., 2024, 48,7347-7355
DOI: 10.1039/D4NJ00016A, Paper
Yuqi Zhu, Aamir Mehmood, Daixi Li
Cyclic peptides have the characteristics of antibodies and small molecules and have better advantages over small molecules.
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A novel CuAl2O4/MoS2/BaFe12O19 magnetic photocatalyst simultaneously coupling type I and Z-scheme heterojunctions for the sunlight-driven removal of tetracycline hydrochloride

By pubs.rsc.org
Published On ::

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D3EN00970J, Paper
Mengjun Han, Shifa Wang, Xinmiao Yu, Xianlun Yu, Huajing Gao, Xianju Zhou, Dengfeng Li, Leiming Fang, Jagadeesha Angadi V., Mohd Ubaidullah, Bidhan Pandit
A novel CuAl2O4/MoS2/BaFe12O19 photocatalyst is synthesized that simultaneously couples type I and Z-scheme heterojunctions and exhibits high photocatalytic activity for the degradation of TC under simulated sunlight irradiation.
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Doped carbon dots affect heavy metal speciation in mining soil: changes of dissimilated iron reduction processes and microbial communities

By pubs.rsc.org
Published On ::

Environ. Sci.: Nano, 2024, 11,1724-1739
DOI: 10.1039/D3EN00823A, Paper
Xinyi Huang, Shaobo Liu, Xuanming Liu, Xiaofei Tan, Shuai Guo, Mingyang Dai, Qiang Chen, Gaobin Chen, Chenzhi Feng
Carbon dots (CDs) inevitably accumulate in soils due to their widespread use, affecting soil enzyme activities and microbial community structure.
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Synthesis and structural trends in a series of simple tetraalkylphosphonium salts

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Published On ::

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00210E, Paper
Jakub Gawraczynski, Piotr J Leszczynski, Michal Ksawery Cyranski, Łukasz Dobrzycki, Wiktor Koźmiński, Karol J. Fijalkowski, Wojciech Grochala, Tomasz Jaroń
A series of sulfates (S) and hydrogen sulfates (HS) containing tetramethylphosphonium (TMP), tetraethylphosphonium (TEP) and tetrabutylphosphonium (TBP) cations have been prepared from the respective bromides using ion metathesis reactions. The...
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Elgar companion to Herbert Simon [electronic resource]/ edited by Gerd Gigerenzer (Herbert Simon Society; Max Planck Institute for Human Development, Berlin, Germany), Shabnam Mousavi (Center for Artificial Intelligence (CENTAI), Turin, Italy) and Riccar

By darius.uleth.ca
Published On ::

Cheltenham, UK ; Northampton, Massachusetts : Edward Elgar Publishing, [2024]


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Scientists use simulation to determine most ‘comfortable’ wall materials

By www.thehindu.com
Published On :: Mon, 28 Oct 2024 22:56:43 +0530

Eco-efficient wall materials, such as aerated autoclaved concrete blocks, enhance indoor comfort by significantly reducing temperatures in naturally ventilated houses 


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'He was simply larger than life'

By www.rediff.com
Published On :: Wed, 02 Oct 2024 00:10:48 +0530

The Denver Nuggets, who took Mutombo in the first round of the 1991 draft, said in a statement they were "heartbroken" by his passing.


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Doctors urge National Medical Commission to simplify centralised registration process

By www.thehindu.com
Published On :: Sat, 02 Nov 2024 21:24:48 +0530

The register is a centralised repository that contains the name, address, and qualifications of licensed medical practitioners; however the registration process is complex and cumbersome, say doctors


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21-Day Mars, Moon simulation in Ladakh

By www.dnaindia.com
Published On :: Sat, 02 Nov 2024 08:22:00 GMT

The main aim or the analog mission in Ladakh is to explore new possibilities by mimicking the harsh conditions that are found on Mars and the Moon.


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The pull of simplicity

By www.thehindu.com
Published On :: Thu, 20 Oct 2016 20:58:48 +0530

Kuchipudi dancer Anupama Kylash explains how she got hooked on to Vilasini Natyam.


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A crack in the edge of the world : the great American earthquake of 1906 / Simon Winchester.

By encore.st-andrews.ac.uk
Published On ::

London : Viking, 2005.


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A tour in Scotland and voyage to the Hebrides, 1772 / by Thomas Pennant ; introduction by Charles W.J. Withers ; edited by Andrew Simmons.

By encore.st-andrews.ac.uk
Published On ::

Edinburgh : Birlinn ; Chester Springs, PA : U.S. distributor, Dufour Editions, 1998.


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Yubikey: This Simple USB key Protects Everyone From Phishing

By www.wired.com
Published On :: Tue, 18 Sep 2018 06:28:33 +0000

Stina Ehrensvärd has one mission: to keep people safe online. Her Silicon Valley-based company, Yubico, produces the Yubikey, which is designed to stop people being terrible with their passwords. ABOUT WIRED SECURITY Hundreds of cybersecurity professionals, business decision makers and technology influencers met at the second WIRED Security event, at Kings Place, London on September 28 2017. Discover some of the fascinating insights from the speakers here: http://wired.uk/ZOgF8z ABOUT WIRED EVENTS WIRED events shine a spotlight on the innovators, inventors and entrepreneurs who are changing our world for the better. Explore this channel for videos showing on-stage talks, behind-the-scenes action, exclusive interviews and performances from our roster of events. Join us as we uncover the most relevant, up-and-coming trends and meet the people building the future. ABOUT WIRED WIRED brings you the future as it happens - the people, the trends, the big ideas that will change our lives. An award-winning printed monthly and online publication. WIRED is an agenda-setting magazine offering brain food on a wide range of topics, from science, technology and business to pop-culture and politics. CONNECT WITH WIRED Web: http://po.st/WiredVideo Twitter: http://po.st/TwitterWired Facebook: http://po.st/FacebookWired Google+: http://po.st/GoogleWired Instagram: http://po.st/InstagramWired Magazine: http://po.st/MagazineWired Newsletter: http://po.st/NewslettersWired


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Oasis Labs' Dawn Song in Conversation with Tom Simonite

By www.wired.com
Published On :: Fri, 08 Nov 2019 21:10:00 +0000

Oasis Labs CEO and Founder Dawn Song spoke with WIRED's Tom Simonite as part of WIRED25, WIRED's second annual conference.


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Each and Every - Every Job Homer Simpson's Ever Had

By www.wired.com
Published On :: Tue, 30 Jun 2020 16:00:00 +0000

While most of us know Homer J. Simpson as a Nuclear Safety Inspector that works for Mr. Burns, Homer's career path on 'The Simpsons' is far more expansive than that. From Homer's early days working as a technician at the Springfield Nuclear Power Plant to his forays into Tomacco farming and space travel, watch as Simpsons expert Jack Picone breaks down every job Homer's ever had. Jack Picone is the co-host of The Simpsons podcast "Worst Episode Ever" http://www.weepodcast.com/


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Each and Every - Every Job Homer Simpson's Ever Had (Part 2)

By www.wired.com
Published On :: Wed, 05 Aug 2020 16:00:00 +0000

While most of us know Homer J. Simpson as a Nuclear Safety Inspector that works for Mr. Burns, Homer's career path on 'The Simpsons' is far more expansive than that. Watch as Homer goes from 90's grunge rocker to the iconic Duff Man. Watch as Simpsons expert Jack Picone once again breaks down every job Homer's ever had. Jack Picone is the co-host of The Simpsons podcast "Worst Episode Ever" http://www.weepodcast.com/


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Autocomplete Interview - Simu Liu Answers the Web's Most Searched Questions

By www.wired.com
Published On :: Mon, 13 Dec 2021 17:00:00 +0000

Simu Liu takes the WIRED Autocomplete Interview and answers the internet's most searched questions about himself. How tall is Simu Liu? Where was he raised? How did he get into acting? How did he get the role of Shang-Chi? Simu answers all these questions and much more! Marvel Studios’ 'Shang-Chi and The Legend of The Ten Rings' is now available on all major digital platforms and on 4K Ultra HD, Blu-ray and DVD.


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Are We Living In A Simulation?

By www.wired.com
Published On :: Wed, 15 Dec 2021 17:00:00 +0000

20 years ago, futurist Nick Bostrom published the first draft of his groundbreaking simulation argument, which asks, "Are you living in a computer simulation?" Public figures like Elon Musk and Neil deGrass Tyson have also broached this line of questioning. We asked Nick Bostrom to look at a few scenes from "The Matrix" films as he explains his simulation hypothesis.


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