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Bayesian-optimization-based design of highly active and stable Fe–Cu/SSZ-13 catalysts for the selective catalytic reduction of NOx with NH3

React. Chem. Eng., 2024, 9,3029-3037
DOI: 10.1039/D4RE00327F, Paper
Sanha Lim, Hwangho Lee, Hyun Sub Kim, Jun Seop Shin, Jong Min Lee, Do Heui Kim
Bayesian optimization approach facilitates an efficient optimization of multi-components catalyst for NH3-SCR reaction.
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Kinetic analysis of kraft lignin conversion via the Fenton process: process optimization and stochastic modelling

React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00401A, Paper
Lucas Ramos, Giovani Maltempi-Mendes, Adriano Francisco Siqueira, Diovana Aparecida dos Santos Napoleão, Anuj Kumar Chandel
Lignin conversion through an advanced oxidative process.
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Design and performance evaluation of low-volatility and low-viscosity absorbents for CO2 capture

React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00379A, Paper
Ning Ma, Liu Yang, Zhenchang Fang, Kaijia Jiang, Xinling Li, Zhen Huang
This study synthesized a novel homogeneous non-aqueous absorbent and analyzed hydrogen bonds and viscosities, which were rarely studied before.
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Stable and permeable polyion complex vesicles designed as enzymatic nanoreactors

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00216D, Paper
Yuting Wan, Yuening Qiu, Jin Zhou, Jinbo Liu, Martien A. Cohen Stuart, Yangfeng Peng, Junyou Wang
Stable and permeable polyion complex vesicles designed as enzymatic nanoreactors.
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Multiple physical crosslinked highly adhesive and conductive hydrogels for human motion and electrophysiological signal monitoring

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00195H, Paper
Qirui Wu, Anbang Chen, Yidan Xu, Songjiu Han, Jiayu Zhang, Yujia Chen, Jianren Hang, Xiaoxiang Yang, Lunhui Guan
Ionic conducting hydrogel (ICHgel) was synthesized by doping fumed SiO2, which exhibited superior stretchability, conductivity, and adhesiveness, making it a promising bridge for effective communication between electronic devices and human tissues.
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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

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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Interfacial energy as an approach to designing amphipathic surfaces during photopolymerization curing

Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01528A, Paper
Open Access
Sabrina J. Curley, Caroline R. Szczepanski
Photopolymerization induced phase separation (PIPS) is utilized to develop materials in a single step that are hydrophobic on one face and hydrophilic on the other.
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Significantly enhanced catalytic performance of Pd nanocatalyst on AlOOH featuring abundant solid surface frustrated Lewis pair for improved hydrogen activation

RSC Adv., 2024, 14,12593-12599
DOI: 10.1039/D4RA01852D, Paper
Open Access
Junwei Li, Hongshuai Yin, Sisi Liu, Chaofa Xu, Zhixiong Cai
The superior catalytic performance of Pd nanocatalysts in AlOOH-80 is attributed to solid surface frustrated Lewis pairs (ssFLP), which enhance hydrogen gas dissociation, improve Pd nanocatalyst hydrogenation, and result in high catalytic activity of Pd/AlOOH-80.
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Design, synthesis and antiproliferative evaluation of tetrahydro-β-carboline histone deacetylase inhibitors bearing an aliphatic chain linker

RSC Adv., 2024, 14,12762-12771
DOI: 10.1039/D4RA01672F, Paper
Open Access
Jing Shi, Jiayun Wang, Xingjie Wang, Chao Qu, Changchun Ye, Xiuli Li, Xin Chen, Zhengshui Xu
The use of histone deacetylase inhibitors (HDACis) is an effective approach for cancer treatment.
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Rational design of a lysosome-targeted fluorescent probe for monitoring the generation of hydroxyl radicals in ferroptosis pathways

RSC Adv., 2024, 14,12864-12872
DOI: 10.1039/D4RA00562G, Paper
Open Access
Lili Zhong, Datian Fu, Jin Xu, Linyan Tan, Haimei Wu, Min Wang
A novel hydrocyanine-based turn-on fluorescence probe HCy-Lyso, with excellent lysosome-targeting ability and ˙OH-responsive efficiency, has been applied for monitoring the variation in lysosomal ˙OH levels during ferroptosis.
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Designing biphenanthridine-based singlet fission materials using computational chemistry

Mol. Syst. Des. Eng., 2024, 9,423-435
DOI: 10.1039/D3ME00181D, Paper
Keighlynn A. Veilleux, Georg Schreckenbach, David E. Herbert
A systematic search for novel singlet fission materials based on the recently synthesized 6,6'-biphenanthridine (biphe) framework is reported, utilizing a straightforward computational approach.
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3-Perfluoroalkylated fluorescent coumarin dyes: rational molecular design and photophysical properties

Mol. Syst. Des. Eng., 2024, 9,332-344
DOI: 10.1039/D4ME00006D, Paper
Ayano Ikemura, Yukiko Karuo, Yuki Uehashi, Tomohiro Agou, Masahiro Ebihara, Yasuhiro Kubota, Toshiyasu Inuzuka, Masaaki Omote, Kazumasa Funabiki
The photochemical properties of a coumarin derivative with a promising electron-withdrawing fluoroalkyl group at the 3-position in solution and in the crystal were investigated in detail.
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Effect of computationally designed fragment-based analogs on the RBD–ACE2 complex of the SARS-CoV-2 P.1 variant

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D3ME00193H, Paper
Surabhi Lata, Mohd. Akif
Modulation of the RBD–ACE2 complex formation and perturbation in their interface by the designed analogs.
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A molecular-design approach for selective sulfate separation from competitive acidic and alkaline aqueous media

Mol. Syst. Des. Eng., 2024, Accepted Manuscript
DOI: 10.1039/D4ME00031E, Review Article
Arghya Basu, Sandeep Kumar Dey
Selective and efficient removal of sulfate from aqueous solution having a high concentration of other competing ions is an important aspect of separation science technology and has attracted considerable attention...
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Design and engineering of an artificial disulfide bond in human cytochrome c to regulate the protein structure and function

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D3ME00196B, Paper
Yan-Yan Li, Yu Feng, Lu Yu, Shuang-Shuang Long, Shu-Qin Gao, Ying-Wu Lin
An artificial disulfide bond was rationally constructed in human cytochrome c (hCyt c) via double mutations (A51C/G77C), which weakened the coordination of Met80 to the heme iron and enhanced the peroxidase activity of hCyt c.
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Materials designed to degrade: structure, properties, processing, and performance relationships in polyhydroxyalkanoate biopolymers

Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00623B, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jessica N. Lalonde, Ghanshyam Pilania, Babetta L. Marrone
A materials tetrahedron framework is applied to PHA biopolymers to highlight design challenges and frame potential future research exploring structure, property, processing, and performance relationships.
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Scalable design of uniform oligourethanes for impact study of chain length, sequence and end groups on thermal properties

Polym. Chem., 2024, 15,4319-4326
DOI: 10.1039/D4PY01001A, Paper
Open Access
Jens Van Hoorde, Nezha Badi, Filip E. Du Prez
A bidirectional growth-based protocol is used for the synthesis of a series of sequence-defined oligourethanes in large scale (50 g). The effect of chain length, sequence and end group functionalities on the thermal properties is evaluated.
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Enhanced mechanical properties of acrylate and 5-vinyl-2-norbornene-based ethylene terpolymers: rational design and synthesis using remotely modulated phosphine–sulfonate palladium complexes

Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00722K, Paper
Yong-Qing Li, Gui-Ping Cao, Yu-Cai Cao
From a practical perspective, it is important to maintain or increase the mechanical properties of functional ethylene copolymers to those of nonpolar polyethylene (PE).
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Sulfur–tetrazine as highly efficient visible-light activatable photo-trigger for designing photoactivatable fluorescence biomolecules

J. Mater. Chem. B, 2024, 12,10839-10849
DOI: 10.1039/D4TB01817F, Communication
Shudan Yang, Mengxi Zhang, Axel Loredo, David Soares, Yulun Wu, Han Xiao
Light-activated fluorescence represents a potent tool for investigating subcellular structures and dynamics, offering enhanced control over the temporal and spatial aspects of the fluorescence signal.
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Mitigating intubation stress, mucosa injury, and inflammatory response in nasogastric tube intubation via suppression of the NF-κB signaling pathway by engineering a hydration lubrication coating

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01171F, Paper
Xi Liao, Meng-Han Bai, Yu-Wei Liu, Yu-Qing Wei, Jun-Yang Wang, Zhi-Guo Wang, Rui Hong, Ju-Xiang Gou, Jia-Zhuang Xu, Zhong-Ming Li, Ka Li
The hydrated micelle coating, composed of hyaluronic acid and Pluronic, demonstrated superior hydrophilicity and aqueous lubricity to effectively alleviate mucosal lesions and inflammation caused by NGT insertion.
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Research Progress of Nitroxide Radical-Based MRI Contrast Agents: From Structure Design to Application

J. Mater. Chem. B, 2024, Accepted Manuscript
DOI: 10.1039/D4TB02272F, Review Article
Tao Luo, Bo Wang, Runxin Chen, Qi Qi, Ruodai Wu, Shunzi Xie, Hanbing Chen, Jialei Han, Dalin Wu, Shuaishuai Cao
Magnetic resonance imaging (MRI) remains a cornerstone of diagnostic imaging, offering unparalleled insights into anatomical structures and pathological conditions. Gadolinium-based contrast agents have long been the standard in MRI enhancement,...
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Exiting with grace and dignity

When changing jobs, upright professionals should communicate their decision to resign with truth and honesty, with respect and gratitude




ign

Weaving Connections: British designer William Morris’s colonial inspirations

The handcrafted colourful textiles of South Asia appealed immensely to the celebrated 19th-century craftsperson and polymath. A new exhibition of his works highlights these influences




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Designs on the future — patterning a new India

On India’s 75th Independence Day, can cultivating a design-backed ecosystem put the country on a steep growth path?




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‘The Father’: A poignant ode to caregivers

Florian Zeller’s directorial debut turns the lens on the everyday reality of caring for an elderly parent with dementia




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The BEST FOREIGN Films of 2017

Aseem Chhabra gives us the top films that enriched his year.





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Towards the rational design of N-(1,3-dimethylbutyl)-N'-phenyl-1,4-benzenediamine (6PPD) electrochemical sensor

Analyst, 2024, 149,5165-5173
DOI: 10.1039/D4AN00973H, Paper
Emily Dominique, Christophe Renault
The strong adsorption of 6PPD onto glassy carbon and its reversible two electron oxidation enables simple and sensitive electrochemical detection with an LOD of 10 nM.
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Designing a novel paper-based microfluidic disc for rapid and simultaneous determination of multiple nutrient salts in water

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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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

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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Self-Healing in Dielectric Capacitors: a Universal Method to Computationally Rate Newly Introduced Energy Storage Designs

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03988B, Paper
Nadezhda Andreeva, Vitaly V. Chaban
Metalized-film dielectric capacitors provide lump portions of energy on demand. While the capacities of various capacitor designs are comparable in magnitude, their stabilities make a difference. Dielectric breakdowns – micro-discharges...
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Band alignment in CdS-α-Te van der Waals heterostructures for photocatalytic applications: Influence of biaxial strain and electric field

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03368J, Paper
Tejaswini G, Anjana E Sudheer , Muthu Vallinayagam, Matthias Posselt, Matthias Zschornak, Maniprakash S, D. Murali
We present a comprehensive theoretical analysis of the structural and electronic properties of a van der Waals heterostructure composed of CdS and α-Te single layers (SLs). The investigation includes an...
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Structure and dynamics of aqueous VOSO4 solutions in conventional flow through cell design: a molecular dynamics simulation study

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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What is your design philosophy?

City-based Neeras Design Studio completes a year in the elite interiors segment.Sadhana Srinivasan, CEO, who studied design at the Inchbald School of Design talks to Lakshmi Krupa about the luxury market, international brands and more…



  • Q & A


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3 Essential Design Trends, October 2024

You have to get creative when you lack a strong visual. This month's design trends roundup focuses on this concept.





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Top 11 WordPress Themes for Web Designers in 2024

A WordPress theme that doesn’t look modern, doesn’t come with built-in flexibility, and with a developer that doesn’t support it can spell trouble for you down the line. Your website’s design needs to adapt and evolve alongside the business it represents.




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3 Essential Design Trends, November 2024

Touchable texture, distinct grids, and two-column designs are some of the most trending website design elements of November 2024.




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Intracellular microbial rhodopsin-based optogenetics to control metabolism and cell signaling

Chem. Soc. Rev., 2024, 53,3327-3349
DOI: 10.1039/D3CS00699A, Review Article
Anastasiia D. Vlasova, Siarhei M. Bukhalovich, Diana F. Bagaeva, Aleksandra P. Polyakova, Nikolay S. Ilyinsky, Semen V. Nesterov, Fedor M. Tsybrov, Andrey O. Bogorodskiy, Egor V. Zinovev, Anatolii E. Mikhailov, Alexey V. Vlasov, Alexander I. Kuklin, Valentin I. Borshchevskiy, Ernst Bamberg, Vladimir N. Uversky, Valentin I. Gordeliy
Organelle optogenetics is an approach to control cell physiology by targeted expression of microbial rhodopsins in membranes of subcellular organelles.
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Emerging polymeric materials for treatment of oral diseases: design strategy towards a unique oral environment

Chem. Soc. Rev., 2024, 53,3273-3301
DOI: 10.1039/D3CS01039B, Review Article
Open Access
Bo Jia, Beibei Zhang, Jianhua Li, Jinlong Qin, Yisheng Huang, Mingshu Huang, Yue Ming, Jingjing Jiang, Ran Chen, Yufen Xiao, Jianzhong Du
We highlight the recent progress and design strategies of polymeric materials with tailored functions to overcome the highly movable and wet, microbial and inflammatory environment in the oral cavity for treatment of oral diseases.
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Brilliant Norris consigns Verstappen to a first-ever loss at home

It was the first time since the race returned to the calendar in 2021 that Verstappen had not triumphed at Zandvoort and extended his losing streak this season to five races.




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Paris Olympics hockey: Stern New Zealand test awaits India as it aims to begin campaign with a win

Harmanpreet’s men, who chose to skip the opening ceremony to concentrate on the match at the Yves-du-Manoir Stadium, will be vying to improve their medal colour in Paris




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The players who turned a billion dreams into reality in a sizzling Paris campaign

India clinched the bronze for the second consecutive time.




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Asian Champions Trophy: India beats Pakistan 2-1, ends league campaign on unbeaten note

India is the only team to remain unbeaten in the Asian Champions Trophy.




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Title holders India to open women's ACT campaign against Malaysia

India won the tournament in 2016 in Singapore before reclaiming the title in Ranchi last year




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PVDF nanocomposites with aligned boron nitride nanosheets and dispersed BaTiO3@PEG nanoparticles by a superspreading strategy towards high energy density

Chem. Commun., 2024, 60,13344-13347
DOI: 10.1039/D4CC04430D, Communication
Dajun Hou, Jingjing Zhou, Wen Chen, Jing Zhou, Pengchao Zhang
The limited improvement in discharge energy density (Ue) of polyvinylidene fluoride (PVDF) nanocomposites filled with low-dielectric-constant (εr) nanosheets has been addressed by using a superspreading layering strategy.
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Bioinspired hydrogels: polymeric designs towards artificial photosynthesis

Chem. Commun., 2024, 60,13314-13324
DOI: 10.1039/D4CC04033C, Feature Article
Open Access
Reina Hagiwara, Ryo Yoshida, Kosuke Okeyoshi
This Feature Article outlines the design of polymer networks for water splitting induced by visible light to develop artificial chloroplasts. The network serves as a mediator for photoinduced electron transfer among precisely organised molecules.
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Sustainable Production of Aromatic Chemicals from Lignin using Enzymes and Engineered Microbes

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC05064A, Feature Article
Open Access
Timothy D.H. Bugg, Victoria Sodré
Lignin is an aromatic biopolymer found in plant cell walls, that is the must abundant source of renewable aromatic carbon in the biosphere. Hence there is considerable interest in the...
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