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Divergent self-assembly propensity of enantiomeric phenylalanine amphiphiles that undergo pH-induced nanofiber-to-nanoglobule conversion

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00117F, Paper
Manas Kumar Pradhan, Nayanika Misra, Fathima Sahala, Nyaya Prakash Pradhan, Aasheesh Srivastava
Enantiomeric single phenylalanine derivatives demonstrate very different self-assembling propensity and thermodynamic parameters associated with self-assembly.
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Enzymatic functionalization of decellularized tilapia skin scaffolds with enhanced skin regeneration

Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01742G, Paper
Cuixia Chen, Wenwen Tao, Di Jiang, Yanyan Yang, Tiantian Liang, Qilong Gu, Yuran Xu, Junjuan Zhao, Xing Zhou, Xinglong Fan
The enzymatic dTS/RGD scaffolds, possessing medium mechanical strength, a rapid degradation rate and enough cell responsive motifs, provide a suitable microenvironment for wound healing, which make them potential in skin regeneration engineering.
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Hydrogen bonding enhanced drug–polymer interaction for efficient drug loading and delivery

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00003J, Communication
Xiaotian Qu, Junran Li, Yishu Yu, Jie Yang
A carrier design strategy of hydrogen bonding enhanced drug–carrier interaction is developed to prepare a polymeric nanomedicine with high drug loading content and superb loading efficiency as well as tunable nanostructures.
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Self-healing polyacrylates based on dynamic disulfide and quadruple hydrogen bonds

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00257A, Paper
Longjin Du, Yuting Zhong, Linying Zhao, Chengzhen Hu, Liang Shen, Yuping Yang, Jiang Zhong
Herein, a self-healing polyacrylate system was successfully prepared by introducing crosslinking agents containing disulfide bonds and monomers capable of forming quadruple hydrogen bonds through free radical copolymerization.
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The effect of structural changes on the self-assembly of novel green pyridinium-carboxylate gemini surfactants in Langmuir and Langmuir–Blodgett films

Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01671D, Paper
Ala’a F. Eftaiha, Abdussalam K. Qaroush, Dina M. Foudeh, Ahmad S. Abo-shunnar, Suhad B. Hammad, Khaleel I. Assaf, Matthew F. Paige
The synthesis and interfacial characterization of a series of gemini surfactants based on pyridine-n-carboxylic acids, including picolinic, nicotinic, and isonicotinic acids, in Langmuir and Langmuir–Blodgett films have been reported.
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The interplay of chirality and restricted rotation: stabilisation of chiral, frustrated mesophases over a wide thermal range

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00126E, Paper
Sachin A. Bhat, Channabasaveshwara V. Yelamaggad
Chiral dimers formed by linking cholesterol to phenyl 3-(4-(n-alkoxy)phenyl)propiolate via ω-oxyalkanoyloxy spacer exhibit odd–even effect, stabilizing SmA, N*, BPI/II, & TGBC* phases. TGBC* phase width increases with longer terminal tails.
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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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Softness matters: effects of compression on the behavior of adsorbed microgels at interfaces

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00235K, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Yuri Gerelli, Fabrizio Camerin, Steffen Bochenek, Maximilian M. Schmidt, Armando Maestro, Walter Richtering, Emanuela Zaccarelli, Andrea Scotti
As lateral compression is applied, microgel particles with different softness exhibit distinct behaviours. Hard microgels (green particles) are pushed away from the air–water interface, whereas soft ones (orange particles) are less deformed.
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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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Strong, tough and conductive single-network hydrogels based on deswelling and the salting-out effect

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00298A, Paper
Xingyue Sun, Haiyi Liang, Lina Ye
By comparing the mechanical properties between salt-treated hydrogels and air-dried hydrogels, the synergistic effect in energy transfer and dissipation arising from increases in polymer fraction and cross-linking plays an indispensable role in toughening SN hydrogels.
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The sweetest polymer nanoparticles: opportunities ahead for glycogen in nanomedicine

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00261J, Perspective
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Quinn A. Besford
Glycogen is a biomaterial nanoparticle composed of sugar. In this perspective, the opportunities of glycogen in nanomedicine going forward is discussed.
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Surface charge density and induced currents by self-charging sliding drops

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00205A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Pravash Bista, Aaron D. Ratschow, Amy Z. Stetten, Hans-Jürgen Butt, Stefan A.L. Weber
Sliding drops induce a bipolar current in subsurface electrodes beneath a hydrophobic substrate. We show how it depends on substrate properties and how it can be optimized for energy harvesting.
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Flexible hydrogels connecting adhesion and wetting

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00022F, Paper
A-Reum Kim, Surjyasish Mitra, Sudip Shyam, Boxin Zhao, Sushanta K. Mitra
Soft, flexible hydrogels enable researchers to connect two discrete regimes: liquid wetting to contact adhesion in solids.
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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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Agri-waste derived electroactive carbon–iron oxide nanocomposite for oxygen reduction reaction: an experimental and theoretical study

RSC Adv., 2024, 14,12171-12178
DOI: 10.1039/D4RA01264J, Paper
Open Access
Pallavi B. Jagdale, Sai Rashmi Manippady, Rohit Anand, Geunsik Lee, Akshaya Kumar Samal, Ziyauddin Khan, Manav Saxena
Herein, we have utilized agri-waste and amalgamating low Fe3+, to develop an economic iron oxide–carbon hybrid-based electrocatalyst for oxygen reduction reaction (ORR) with water as a main product following close to 4e transfer process.
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Synthesis and study of antibiofilm and antivirulence properties of flavonol analogues generated by palladium catalyzed ligand free Suzuki–Miyaura coupling against Pseudomonas aeruginosa PAO1

RSC Adv., 2024, 14,12278-12293
DOI: 10.1039/D3RA08617H, Paper
Open Access
Anjitha Theres Benny, Masthan Thamim, Prakhar Srivastava, Sindoora Suresh, Krishnan Thirumoorthy, Loganathan Rangasamy, Karthikeyan S., Nalini Easwaran, Ethiraj Kannatt Radhakrishnan
An overview on the mechanism of Pseudomonas aeruginosa PAO1 biofilm inhibition by Suzuki–Miyaura coupled flavonols.
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Catalytic pyrolysis and in situ carbonization of walnut shells: poly-generation and enhanced electrochemical performance of carbons

RSC Adv., 2024, 14,12255-12264
DOI: 10.1039/D4RA01608D, Paper
Open Access
Wenjing He, Keling Liu, Lanjun Zhang, Muxin Liu, Zhengjie Ni, Yueyang Li, Duoduo Xu, Minjie Cui, Yibo Zhao
Coupling catalytic pyrolysis and carbonization of walnut shells in one step can indeed lead to improvements in both the quality of bio-oil and gas produced, as well as the electrochemical performance of the resulting carbons.
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Solid state engineering of Bi2S3/rGO nanostrips: an excellent electrode material for energy storage applications

RSC Adv., 2024, 14,12313-12322
DOI: 10.1039/D4RA01304B, Paper
Open Access
Vijay B. Autade, Kaustav Bhattacharjee, Ranjit S. Kate, Sudhir S. Arbuj, Ramchandra S. Kalubarme, Sanjay K. Apte, Bharat B. Kale, Sandeep A. Arote
Herein, the study reported unique one-pot and scalable solid-state methodology to prepare bismuth sulphide (Bi2S3)-reduced graphene oxide (rGO) nanocomposites using bismuth oxide (Bi2O3), thiourea and graphene oxide (GO) for energy storage applications.
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Kinetic and reactivity of gas-phase reaction of acyclic dienes with hydroxyl radical in the 273–318 K temperature range

RSC Adv., 2024, 14,12303-12312
DOI: 10.1039/D3RA08750F, Paper
Open Access
Chenyang Xue, Xinmiao Xu, Han Lyu, Yunfeng Li, Yangang Ren, Jinhe Wang, Yujing Mu, Abdelwahid Mellouki, Zongzheng Yang
The relative position of two CC on the acyclic dienes could determine its reactivity. The number and type of alkyl group and the number of addition sites on diene could also strongly affect its reactivity toward OH radical.
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Polyvinyl alcohol as solid proton donor to modify g-C3N4 via hydrogen bonding enabling efficient photocatalytic H2O2 production from H2O and O2

RSC Adv., 2024, 14,12407-12415
DOI: 10.1039/D4RA01746C, Paper
Open Access
Chen Chen, Fengtiao Liao, Xiangcheng Zhang, Silian Cheng, Yu Deng, Chao Chen, Mingce Long
PVA modifies graphitic carbon nitride via hydrogen bonds to boost H2O2 production by enhancing charge separation and acting as solid proton donor.
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Correction: 2-cyanopyridine derivatives enable N-terminal cysteine bioconjugation and peptide bond cleavage of glutathione under aqueous and mild conditions

RSC Adv., 2024, 14,12416-12416
DOI: 10.1039/D4RA90039A, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Tetsuya Yano, Takahiro Yamada, Hiroaki Ishida, Nami Ohashi, Toshimasa Itoh
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Optimizing methanol synthesis from CO2 using graphene-based heterogeneous photocatalyst under RSM and ANN-driven parametric optimization for achieving better suitability

RSC Adv., 2024, 14,12496-12512
DOI: 10.1039/D4RA00578C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ramesh Kumar, Jayato Nayak, Somnath Chowdhury, Sashikant Nayak, Shirsendu Banerjee, Bikram Basak, Masoom Raza Siddiqui, Moonis Ali Khan, Rishya Prava Chatterjee, Prashant Kumar Singh, WooJin Chung, Byong-Hun Jeon, Sankha Chakrabortty, Suraj K. Tripathy
Assessment of the performance of linear and nonlinear regression-based methods for estimating in situ catalytic CO2 transformations employing TiO2/Cu coupled with hydrogen exfoliation graphene (HEG) has been investigated.
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Dual-functional nano-photosensitizers: Eosin-Y decorated gold nanorods for plasmon-enhanced fluorescence and singlet oxygen generation

RSC Adv., 2024, 14,12417-12427
DOI: 10.1039/D4RA01551G, Paper
Open Access
Sravani Kaja, Ashin Varghese Mathews, Amit Nag
Enhancement factors of 110 and 18 for metal-enhanced fluorescence and metal-enhanced SOG, respectively, are obtained from polymer coated gold nanorod cores adsorbed with Eosin Y.
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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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Resistance and durability of fly ash based geopolymer for heavy metal immobilization: properties and mechanism

RSC Adv., 2024, 14,12580-12592
DOI: 10.1039/D4RA00617H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Xupicheng Ren, Fan Wang, Xiang He, Xiaomin Hu
This study employed geopolymerization technique to solidify MSWI fly ash, aiming to facilitate its reutilization. The FA based geopolymers exhibit strong durability and mechanical qualities, making them suitable for a variety of applications.
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Thermally modified nanocrystalline snail shell adsorbent for methylene blue sequestration: equilibrium, kinetic, thermodynamic, artificial intelligence, and DFT studies

RSC Adv., 2024, 14,12703-12719
DOI: 10.1039/D4RA01074D, Paper
Open Access
Abisoye Abidemi Adaramaja, Abayomi Bamisaye, Shakirudeen Modupe Abati, Kayode Adesina Adegoke, Morenike Oluwabunmi Adesina, Ayodeji Rapheal Ige, Oluwatobi Adeleke, Mopelola Abidemi Idowu, Abel Kolawole Oyebamiji, Olugbenga Solomon Bello
The quest for an efficient and sustainable adsorbent material that can effectively remove harmful and hazardous dyes from industrial effluent has become more intense. Thermally modified nanocrystalline snail shell is a new biosorbent for removing methylene blue dye from contaminated wastewater.
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Application of cold-adapted microbial agents in soil contaminate remediation: biodegradation mechanisms, case studies, and safety assessments

RSC Adv., 2024, 14,12720-12734
DOI: 10.1039/D4RA01510J, Review Article
Open Access
Jiaxin Li, Yujuan Wen, Zheng Fang, Wenqi Yang, Xiaoming Song
Analyzed the microorganisms cold-adapted mechanism, and summarized the degradation pathway of nitro-aromatic compounds. Evaluated safety of microbial agents according to the existing application restoration cases under freeze-thaw cycles condition.
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Insoluble low-impedance organic battery cathode enabled by graphite grafting towards potassium storage

RSC Adv., 2024, 14,12658-12664
DOI: 10.1039/D4RA01420K, Paper
Open Access
Xiaolei Sun, Xianhui Yi, Ling Fan, Bingan Lu
Insoluble polymerized organic electrode is developed and wrapped in graphite sheets, which possesses low-impedance and realized a cycling life of over 1500 cycles. This work provides insights for exploring high-performance organic cathodes.
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Confined microemulsions: pore diameter induced change of the phase behavior

RSC Adv., 2024, 14,12735-12741
DOI: 10.1039/D4RA01283F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
René Haverkamp, Margarethe Dahl, Tim Julian Stank, Jessica Hübner, Peter Strasser, Stefan Wellert, Thomas Hellweg
Possible temperature-dependent structure of the microemulsion within the pores of controlled pore glasses. Small pore sizes seem to affect the temperature-dependent phase behavior of the microemulsion.
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Construction of glutathione-responsive paclitaxel prodrug nanoparticles for image-guided targeted delivery and breast cancer therapy

RSC Adv., 2024, 14,12796-12806
DOI: 10.1039/D4RA00610K, Paper
Open Access
Weiwei Ma, Qiufeng Zhao, Shilong Zhu, Xinyue Wang, Chuangchuang Zhang, Daming Ma, Na Li, Yanyan Yin
HA-coated redox sensitive visualized nano-prodrug HA/TPE-CS-SS-PTX were exploited in order to highly efficient treatment of cancer and real-time monitoring of drug localization.
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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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Influence of the coagulation bath on the nanostructure of cellulose films regenerated from an ionic liquid solution

RSC Adv., 2024, 14,12888-12896
DOI: 10.1039/D4RA00971A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Lassi V. Tiihonen, Gabriel Bernardo, Robert Dalgliesh, Adélio Mendes, Steven R. Parnell
The structure of cellulose films prepared by nonsolvent-induced phase separation in coagulation baths of different mixtures and temperatures. High water volume fractions in the coagulation bath result in a highly reproducible gel-like structure with inhomogeneities.
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Nickel-catalyzed γ-alkylation of cyclopropyl ketones with unactivated primary alkyl chlorides: balancing reactivity and selectivity via halide exchange

RSC Adv., 2024, 14,12883-12887
DOI: 10.1039/D4RA02616K, Paper
Open Access
Zheng-Ying Wang, Shi-Zheng Liu, Cong Guo, Yi-Zheng Cheng, Qiang Li, Jianmin Dou, Dacheng Li
Nickel-catalyzed cross-electrophile coupling of cyclopropyl ketones and alkyl chlorides. High reactivity and selectivity can be achieved with sodium iodide as a cocatalyst that generates a low concentration of alkyl iodide via halide exchange.
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The influence of hydrogen bonding on the structure of organic–inorganic hybrid catalysts and its application in the solvent-free epoxidation of α-olefins

RSC Adv., 2024, 14,12853-12863
DOI: 10.1039/D4RA01399A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Hong-Bin Ju, Li-Zhi Zhang, De-Bao Li, Tao Geng, Ya-Jie Jiang, Ya-Kui Wang
Different reaction routes with the influence of hydrogen bonding and without hydrogen bonding.
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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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Wet adhesive hydrogels based on niobium carbide for experimental research of oral mucosal impairment

RSC Adv., 2024, 14,12935-12946
DOI: 10.1039/D4RA01352B, Paper
Open Access
Jiayuan Chen, Junyu Ren, Yingjie Wu, Narisu Hu, Fang Zhao, Lin Zhang
Illustration of the mechanism of NbC/TA–GelMA hydrogel with multifunctional properties for potential application in oral mucosal impairment.
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Highly homogeneous and stable single-walled carbon nanotubes dispersion modified by polyvinylpyrrolidone and alkanolamine in water

RSC Adv., 2024, 14,12947-12953
DOI: 10.1039/D4RA01614A, Paper
Open Access
Minghua Li, Shujun Yu, Xiting Fang, Zhiqiang Du, Xiaojin Ge
An easy green non-covalent surface functionalization of pristine SWCNT was carried out by using ball grinding technology, resulting in the formation of a highly homogeneous and stable PA-SWCNTs dispersion reported firstly in water.
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Smart materials for flexible electronics and devices: hydrogel

RSC Adv., 2024, 14,12984-13004
DOI: 10.1039/D4RA01168F, Review Article
Open Access
Taposhree Dutta, Pavan Chaturvedi, Ignacio Llamas-Garro, Jesús Salvador Velázquez-González, Rakesh Dubey, Satyendra Kumar Mishra
In recent years, flexible conductive materials have attracted considerable attention for their potential use in flexible energy storage devices, touch panels, sensors, memristors, and other applications.
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ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction

RSC Adv., 2024, 14,13083-13094
DOI: 10.1039/D4RA00748D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jiahui Huang, Tanja Osthushenrich, Aidan MacNamara, Anders Mälarstig, Silvia Brocchetti, Samuel Bradberry, Lia Scarabottolo, Evandro Ferrada, Sergey Sosnin, Daniela Digles, Giulio Superti-Furga, Gerhard F. Ecker
Predict SLC6 mutation clinical pathogenicity by calculating the amino acid descriptors in different ranges with rationalization analysis of the prediction.
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Antioxidant-rich brilliant polymeric nanocomposites for quick and efficient non-enzymatic hydrogen peroxide sensor

RSC Adv., 2024, 14,13142-13156
DOI: 10.1039/D4RA01768D, Paper
Open Access
M. S. Hashem, Hend S. Magar, Asmaa M. Fahim, Rokaya A. Sobh
New polymeric nanocomposites with metal oxide nanoparticles enhance electrical impedance ratings, offer energy storage and supercapacitors, and enable rapid creation of hydrogen peroxide sensors through microemulsion polymerization.
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High performance electrochemical CO2 reduction over Pd decorated cobalt containing nitrogen doped carbon

RSC Adv., 2024, 14,13017-13026
DOI: 10.1039/D4RA01641F, Paper
Open Access
Shayan Gul, Fatima Nasim, Waheed Iqbal, Amir Waseem, Muhammad Arif Nadeem
Efficient electrocatalytic CO2 reduction reaction (eCO2RR) to various products, such as carbon monoxide (CO), is crucial for mitigating greenhouse gas emissions and enabling renewable energy storage.
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Regioselective C(sp2)–H halogenation of pyrazolo[1,5-a]pyrimidines facilitated by hypervalent iodine(III) under aqueous and ambient conditions

RSC Adv., 2024, 14,13095-13099
DOI: 10.1039/D4RA02090A, Paper
Open Access
Abhinay S. Chillal, Rajesh T. Bhawale, Umesh A. Kshirsagar
An efficient and mild approach has been developed for the regio-selective direct C3 halogenation of pyrazolo[1,5-a]pyrimidines employing readily available potassium halide salts and a hypervalent iodine(III) reagent at ambient temperature.
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Expression of concern: Facile route to synthesize Fe3O4@acacia–SO3H nanocomposite as a heterogeneous magnetic system for catalytic applications

RSC Adv., 2024, 14,13016-13016
DOI: 10.1039/D4RA90043J, Expression of Concern
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Reza Taheri-Ledari, Mir Saeed Esmaeili, Zahra Varzi, Reza Eivazzadeh-Keihan, Ali Maleki, Ahmed Esmail Shalan
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A multi-channel microfluidic platform based on human flavin-containing monooxygenase 3 for personalised medicine

RSC Adv., 2024, 14,13209-13217
DOI: 10.1039/D4RA01516A, Paper
Open Access
Melissa De Angelis, Silvia Schobesberger, Florian Selinger, Viktor Laurin Sedlmayr, Martin Frauenlob, Orsola Corcione, Shiman Dong, Gianfranco Gilardi, Peter Ertl, Sheila J. Sadeghi
A microfluidic platform with immobilized human flavin-containing monooxygenase for high-throughput screening of drugs with relevance to personalised medicine.
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Unexpected reversal of reactivity in organic functionalities when immobilized together in a metal–organic framework (MOF)

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D3ME00185G, Communication
Pricilla Matseketsa, Donovan Mafukidze, Lahiru Pothupitiya, Udo P. Otuonye, Yasemin Çimen Mutlu, Boris B. Averkiev, Tendai Gadzikwa
The reactivity of hydroxyl-bearing MOF linkers with isocyanates is influenced by their mutual confinement with amine-bearing linkers within the pores of the framework.
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Application of automated network generation for retrosynthetic planning of potential corrosion inhibitors

Mol. Syst. Des. Eng., 2024, 9,352-371
DOI: 10.1039/D3ME00162H, Paper
Lauren M. Lopez, Quan Zhang, Orion Dollar, Jim Pfaendtner, Brent H. Shanks, Linda J. Broadbelt
This work uses automated network generation, specifically the Python-based tool Pickaxe, for retrosynthetic planning towards making potential corrosion inhibitors from a pool of candidate bioprivileged molecules.
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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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Augmentation of inductive effects through short range intramolecular hydrogen bonds for the improvement of cooperativity of trimeric rosettes

Mol. Syst. Des. Eng., 2024, 9,345-351
DOI: 10.1039/D4ME00008K, Paper
Andre Nicolai Petelski, Tamara Bundrea, Nélida María Peruchena
Three key design elements improve the binding strength of trimeric rosettes: the direction of hydrogen bonds, the addition of groups with inductive effects, and the presence of ambifunctional intramolecular hydrogen bonds between the substituents.
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Tuning the photophysical properties of ESIPT active unsymmetrical azine dyes by the change in the substituent and solvent: TD-PBE0 and TD-CAM-B3LYP studies

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00039K, Paper
Hossein Roohi, Tahereh Pouryahya
The photophysical properties of the designed ESIPT active as well as donor–acceptor structured unsymmetrical azine dyes L1L5 were investigated at PBE0/6-31++G(d,p) and CAM-B3LYP/6-31++G(d,p) levels of theory in the gas phase and solvent media.
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A one-woman army that waged a battle for empathy

Alka Gujnal has ensured that destitute sex workers are treated with dignity