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Amplification of photocatalytic degradation of antibiotics (amoxicillin, ciprofloxacin) by sodium doping in nano-crystallite hydroxyapatite

RSC Adv., 2024, 14,12386-12396
DOI: 10.1039/D4RA00126E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Sakabe Tarannum, Md. Sahadat Hossain, Muhammad Shahriar Bashar, Newaz Mohammed Bahadur, Samina Ahmed
Sodium-doped hydroxyapatite (Na_HAp) was synthesized for the enhanced photocatalytic degradation of amoxicillin and ciprofloxacin.
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Insights into the optoelectronic behaviour of heteroatom doped diamond-shaped graphene quantum dots

RSC Adv., 2024, 14,12639-12649
DOI: 10.1039/D4RA00603H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Yassine El Haddad, Hala Ouarrad, Lalla Btissam Drissi
Investigation of heteroatom (N, B, O, P and S) doping impact on the structural, optoelectronic and photoluminescence properties of diamond-shaped graphene quantum dots for photovoltaics and nanomedical applications, and energy technologies.
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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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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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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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Innovative surfactant-free synthesis of core–shell SiO2/ZnO particles: rapid ultrasonication and photocatalytic inhibition

RSC Adv., 2024, 14,12665-12675
DOI: 10.1039/D4RA01309C, Paper
Open Access
Lailatul Qomariyah, Tomoyuki Hirano, Nicky Rahmana Putra, Suprapto Suprapto, Hendrix Abdul Ajiz, Mar'atul Fauziyah
This study demonstrates the preparation of SiO2/ZnO core–shell nanoparticles with controllable shell size and their optical properties.
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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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an

In situ one step growth of amorphous tin oxide electron transport layer for high-performance perovskite solar cells

RSC Adv., 2024, 14,12650-12657
DOI: 10.1039/D4RA01724B, Paper
Open Access
Wenlin Du, Zhe Wan, Jingyi Zhu, Xin Liu, Li Chen, Shuxia Li, Ning Kang, Chenglong Wang
Perovskite solar cells prepared by using amorphous Tin oxide as electron transport layer.
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The untold story of starch as a catalyst for organic reactions

RSC Adv., 2024, 14,12676-12702
DOI: 10.1039/D4RA00775A, Review Article
Open Access
Masoud Sadeghi
Starch as catalyst for organic reactions.
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Current status of controlled onco-therapies based on metal organic frameworks

RSC Adv., 2024, 14,12817-12828
DOI: 10.1039/D4RA00375F, Review Article
Open Access
Yixuan Yang, Xiaofeng Dai
Most MOFs for controllable cancer treatment act as drug delivery vehicle and/or anti-cancer agent. Molecules with anti-cancer roles such as chemotherapies, gases, peptides or nucleic acids can be loaded into MOFs that decompose in cancer cells or in the TME to release its cargoes.
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Treatment of carbon electrodes with Ti3C2Tx MXene coating and thermal method for vanadium redox flow batteries: a comparative study

RSC Adv., 2024, 14,12807-12816
DOI: 10.1039/D4RA01380H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Kavin Teenakul, Sayed Ali Ahmad Alem, Ritambhara Gond, Anupma Thakur, Babak Anasori, Amirreza Khataee
Treatment of carbon papers with Ti3C2Tx MXene solution for vanadium redox flow batteries.
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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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Engineering gold nanoworms with tunable longitudinal plasmon peak in the near infrared and their refractive index sensing properties

RSC Adv., 2024, 14,12772-12780
DOI: 10.1039/D4RA00994K, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Misbah ul Ain, Asma, Rizwan Ullah, Zanjbeel Fatima, Ahsan Illahi, Waqqar Ahmed
Gold nanoworms (NWs), synthesized in a one-step reaction with size controlled by pH, show tunable plasmon peaks in the near-infrared. Finite element analysis validates their optical properties, and they exhibit sensitive refractive index sensing.
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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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Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study

RSC Adv., 2024, 14,12841-12852
DOI: 10.1039/D3RA06817J, Paper
Open Access
Iqra Shafiq, Muhammad Khalid, Gul Maria, Nadeem Raza, Ataualpa A. C. Braga, Saifullah Bullo, Mohamed Khairy
The benzothiophene based chromophores (A1D1–A1D5) with A–π–A configuration were designed via end-capped tailoring with benzothiophene type acceptors using reference compound (A1R).
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Carbon dots–cadmium sulfide quantum dots nanocomposite for ‘on–off’ fluorescence sensing of chromium(VI) ions

RSC Adv., 2024, 14,12923-12934
DOI: 10.1039/D4RA00436A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Anisha B. Patil, Pooja L. Chaudhary, Parag V. Adhyapak
This work involves fluorescent probe which is composed of carbon dots (CD) and cadmium sulfide quantum dots (CdS QD) for the sensitive and selective fluorescence detection of chromium(VI) ions.
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Tuning in optoelectronic properties of In/Te bilayer heterostructure upon annealing at different temperatures: surface wettability and photo response study for photonic and solar cell applications

RSC Adv., 2024, 14,12897-12910
DOI: 10.1039/D4RA00807C, Paper
Open Access
P. Priyadarshini, Prabhukrupa C. Kumar, Ramakanta Naik
The In/Te bilayer thin film synthesized by thermal evaporation method with 350 nm thickness annealed at different temperatures and their opto-electronic properties change. The films showed a hydrophobic nature, with enhancement of photo current from nA to ∼mA.
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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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Enhanced photocatalytic performance of ZnO under visible light by co-doping of Ta and C using hydrothermal method

RSC Adv., 2024, 14,12954-12965
DOI: 10.1039/D4RA00579A, Paper
Open Access
Thi Viet Ha Luu, Hong Yen Xuan Nguyen, Quoc Thang Nguyen, Quang Bac Nguyen, Thi Ha Chi Nguyen, Ngoc Chuc Pham, Xuan Dung Nguyen, Trung Kien Nguyen, Ngoc Nhiem Dao
C, Ta-co-doped ZnO nanoparticles (Eg = 2.88 eV), prepared by hydrothermal method, were used as a photocatalyst under visible light to remove organic contaminants in aquatic environments.
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Cellulose/silica composite microtubular superfoam with excellent flame retardancy, thermal insulation and ablative resistance

RSC Adv., 2024, 14,12911-12922
DOI: 10.1039/D4RA00426D, Paper
Open Access
Ding Han, Xiankai Sun, Shichao Zhang, Linghao Wu, Bing Ai, Haoran Sun, Yufeng Chen
Cellulose/SiO2-based composite microtube superfoam exhibits excellent flame retardant, thermal insulation and ablative resistance.
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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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Correction: Photocatalytic degradation of drugs and dyes using a machine learning approach

RSC Adv., 2024, 14,12983-12983
DOI: 10.1039/D4RA90045F, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ganesan Anandhi, M. Iyapparaja
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Development of an imidazole-based N,N-bidentate ligand for the manganese catalyzed direct coupling of nitriles with alcohols

RSC Adv., 2024, 14,12978-12982
DOI: 10.1039/D4RA00817K, Paper
Open Access
Qian Tang, Dingguo Song, Kali Zhang, Wenhao Mao, Xianghua Zhao, Ding Du, Fei Ling, Weihui Zhong
This work describes the manganese catalyzed direct coupling of nitriles with alcohols with assistance of a set of simple and new imidazole-based N,N-bidentate ligands.
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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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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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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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The conjugates of 5'-deoxy-5-fluorocytidine and hydroxycinnamic acids – synthesis, anti-pancreatic cancer activity and molecular docking studies

RSC Adv., 2024, 14,13129-13141
DOI: 10.1039/D4RA01683A, Paper
Open Access
Marcin Cybulski, Magdalena Zaremba-Czogalla, Bartosz Trzaskowski, Marek Kubiszewski, Joanna Tobiasz, Anna Jaromin, Piotr Krzeczyński, Jerzy Gubernator, Olga Michalak
New conjugates 1–6 containing 5-dFCR and selected hydroxycinnamic acids were synthesized and tested in vitro against pancreatic cancer (PDAC) lines. The ADME properties and molecular docking to CES2 or human albumin were discussed.
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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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Exploring the synthetic potential of epoxide ring opening reactions toward the synthesis of alkaloids and terpenoids: a review

RSC Adv., 2024, 14,13100-13128
DOI: 10.1039/D4RA01834F, Review Article
Open Access
Madiha Hanif, Ameer Fawad Zahoor, Muhammad Jawwad Saif, Usman Nazeer, Kulsoom Ghulam Ali, Bushra Parveen, Asim Mansha, Aijaz Rasool Chaudhry, Ahmad Irfan
Epoxides are oxygen containing three-membered heterocycles which can undergo ring opening reactions. These reactions have been significantly employed in the synthesis of alkaloids and terpenoids-based natural products.
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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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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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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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Grind, shine and detect: mechanochemical synthesis of AIE-active polyaromatic amide and its application as molecular receptor of monovalent anions or nucleotides

RSC Adv., 2024, 14,13227-13236
DOI: 10.1039/D4RA02129K, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jakub S. Cyniak, Artur Kasprzak
The mechanochemical synthesis of AIE-active amide, as well as the application of the title compound as molecular receptor of monovalent anions and nucleotides, are described.
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Quinazolines and thiazolidine-2,4-dions as SARS-CoV-2 inhibitors: repurposing, in silico molecular docking and dynamics simulation

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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Formation of H-bonding networks in the solid state structure of a trinuclear cobalt(III/II/III) complex with N2O2 donor Schiff base ligand and glutaric acid as bridging co-ligand: synthesis, structure and DFT study

RSC Adv., 2024, 14,13200-13208
DOI: 10.1039/D3RA07697K, Paper
Open Access
Sovana Maity, Sudip Bhunia, Michael G. B. Drew, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay
Formation of hydrogen bonding network in a trinuclear linear mixed-valence centrosymmetric cobalt(III)–cobalt(II)–cobalt(III) complex has been analyzed using DFT calculations.
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Dispersive micro solid phase extraction of glibenclamide from plasma, urine, and wastewater using a magnetic molecularly imprinted polymer followed by its determination by a high-performance liquid chromatography-photodiode array detector

RSC Adv., 2024, 14,13168-13179
DOI: 10.1039/D4RA00452C, Paper
Open Access
Najmeh Sabbaghi, Shayessteh Dadfarnia, Ali Mohammad Haji Shabani, Majid Farsadrooh
The present study describes the development of a simple and selective analytical method for dispersive micro solid phase extraction and determination of glibenclamide (GLB) using magnetic molecularly imprinted polymer (MMIP) as a sorbent.
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1D hollow tubular/2D nanosheet hybrid dimensional porous carbon prepared by one-step carbonization using natural minerals as templates for supercapacitors

RSC Adv., 2024, 14,13190-13199
DOI: 10.1039/D4RA01873G, Paper
Open Access
Fangfang Liu, Chao Zhang, Weiwei Huang, Lei Chen, Yuanshuang Wang, Jinan Niu, Xiuyun Chuan
1D hollow tubular/2D nanosheet hybrid dimensional porous carbon was synthesized through one-step carbonization using 1D fibrous brucite and 2D layered magnesium carbonate hydroxide as templates.
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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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Bishydrazone ligand and its Zn-complex: synthesis, characterization and estimation of scalability inhibition mitigation effectiveness for API 5L X70 carbon steel in 3.5% NaCl solutions

RSC Adv., 2024, 14,13258-13276
DOI: 10.1039/D4RA00404C, Paper
Open Access
Ola. A. El-Gammal, Dina A. Saad, Marwa N. El-Nahass, Kamal Shalabi, Yasser M. Abdallah
Zn-complex: characterization and estimation of scalability inhibition mitigation effectiveness for API 5L X70 carbon steel in 3.5% NaCl solutions.
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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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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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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Mesoporous degradable chitosan-based monoliths: synthesis and applications toward water purification

Mol. Syst. Des. Eng., 2024, 9,399-408
DOI: 10.1039/D3ME00180F, Paper
Jyoti Devi Katiyar, Subrata Chattopadhyay
A synthetic strategy is presented for the preparation of degradable chitosan based functional porous polymer monoliths with tunable surface area, which are capable to efficiently remove multiple pollutants from water.
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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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Two-state nanocomposite based on symmetric diblock copolymer and planar nanoparticles: mesoscopic simulation

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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an

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.
The content of this RSS Feed (c) The Royal Society of Chemistry