mole

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


Full Article

mole

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

By pubs.rsc.org
Published On ::

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


Full Article

mole

3-Perfluoroalkylated fluorescent coumarin dyes: rational molecular design and photophysical properties

By pubs.rsc.org
Published On ::

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


Full Article

mole

Augmentation of inductive effects through short range intramolecular hydrogen bonds for the improvement of cooperativity of trimeric rosettes

By pubs.rsc.org
Published On ::

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


Full Article

mole

A molecular-design approach for selective sulfate separation from competitive acidic and alkaline aqueous media

By pubs.rsc.org
Published On ::

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


Full Article

mole

Influence of polyol impurities on the transesterification kinetics, molecular structures and properties of isosorbide polycarbonate

By pubs.rsc.org
Published On ::

Polym. Chem., 2024, 15,4204-4220
DOI: 10.1039/D4PY00840E, Paper
Mingfa Guo, Yaning Wang, Zhenguang Li, Jielin Xu, Qian Chen, Jing Wu, Huaping Wang
A so-called “reverse-addition” model protocol based on two kinds of polyol impurities (glycerol and 2-deoxy-D-ribose) was established to systematically demonstrate their influence on the polymerization and properties of PIC.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

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

By pubs.rsc.org
Published On ::

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


Full Article

mole

Heterogenous catalysis for oxygen tolerant photoredox atom transfer radical polymerization and small-molecule dehalogenation

By pubs.rsc.org
Published On ::

Polym. Chem., 2024, 15,4264-4280
DOI: 10.1039/D4PY00899E, Paper
Open Access
Kriti Kapil, Mingkang Sun, Ting-Chih Lin, Hironobu Murata, Grzegorz Szczepaniak, Khidong Kim, Stephen DiLuzio, Jaepil Jeong, Mitchell Baumer, Stefan Bernhard, Tomasz Kowalewski, Krzysztof Matyjaszewski
Heterogeneous photocatalysts (PCs) have garnered attention for their sustainability and cost-effectiveness.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Constructing self-healing flexible supercapacitors via graphene oxide synergistic multi-network polymer-supramolecular hydrogel electrolyte

By pubs.rsc.org
Published On ::

Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00809J, Paper
Xiaoyan Li, Xiuting Shi, Anbai Li, Mengmeng Xun, Shuzhen Cui, Kanjun Sun, Hui Peng, Guofu Ma, Yuxi Xu
Hydrogels are increasing interest and have great potential as electrolytes for flexible supercapacitors (FSCs) in wearable and portable electronic devices. However, the hydrogel electrolytes for practical applications are hampered by...
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Synthesis of degradable polyester with high molecular weight and excellent mechanical properties through copolymerization modification of poly(butylene succinate)

By pubs.rsc.org
Published On ::

Polym. Chem., 2024, 15,4570-4579
DOI: 10.1039/D4PY01050G, Paper
Hongji Wang, Xiaojun Ma, Hanyu Yao, Haohao Chang, Yin Lv, Zhong Wei
The degradable copolymer of polybutylene succinate (PBS) modified with tricyclodecane dimethanol (TCD) presented significantly enhanced tensile strength and elongation at break.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

ROS/pH dual-responsive quercetin-loaded guanosine borate supramolecular hydrogel enema in dextran sulfate sodium-induced colitis in mice

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, 12,10861-10876
DOI: 10.1039/D4TB01659A, Paper
Luqing Zhao, Dan Dou, Di Zhang, Xin Deng, Ning Ding, Yun Ma, Xingyu Ji, Shengsheng Zhang, Chao Li
GBQ hydrogel enema for treating DSS-induced colitis in mice.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

A unimolecular artificial cation channel based on cascaded hydrated acid groups

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, 12,10835-10838
DOI: 10.1039/D4TB01508H, Communication
Pengyang Xin, Hailong Yuan, Long Zhang, Qiuhui Zhu, Xunpeng Ning, Yufei Song, Yuqing Shu, Yonghui Sun
Based on the cascade dehydration concept, an amphiphilic unimolecular cation channel was synthesized by attaching multiple carboxyl groups to both sides of hybrid molecule, resulting in excellent cation transport activity and pH-modulated properties.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Sulfur–tetrazine as highly efficient visible-light activatable photo-trigger for designing photoactivatable fluorescence biomolecules

By pubs.rsc.org
Published On ::

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


Full Article

mole

Porous helical supramolecular columns self-organized via the fluorophobic effect of a semifluorinated tapered dendron

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01951B, Paper
Open Access
Dipankar Sahoo, Mihai Peterca, Mohammad R. Imam, Devendra S. Maurya, Virgil Percec
Fluorophobic effect enhances supramolecular microsegregation.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

A biomimetic solution, albumin–doxorubicin molecular complex, targeting tumor and tumor-draining lymph nodes

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01917B, Paper
Rui Guo, Lanlan Zhong, Sirui Ma, Bokai Gong, Chen Shen, Zijun Wang, Li Deng, Dong Zhao, Huile Gao, Tao Gong
Chemotherapy-induced immunologic cell death is haunted by the non-specific distribution of chemotherapeutic drugs and insignificant immune activation effects, which render efforts to inhibit the distant metastasis of tumors frustrated.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Tuning the affinity of probes with transmembrane proteins by constructing peptide-conjugated cis/trans isomers based on molecular scaffolds

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01801J, Paper
Jing-Jing Hu, Juliang Yang, Yiheng Liu, Guangwen Lu, Zujin Zhao, Fan Xia, Xiaoding Lou
Peptide-conjugated cis/trans isomers were designed. cis-RTP interacts more stably with cell membranes than trans-RTP, and it has shown more excellent properties in inhibiting cell migration and killing cells.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Structural isomerism engineering regulates molecular AIE behavior and application in visualizing endogenous hydrogen sulfide

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, 12,11134-11141
DOI: 10.1039/D4TB01617C, Paper
Yaxi Li, Yong-Xiang Wang, Dujuan Liu, Chen-Chieh Ni, Jianming Ni, Jen-Shyang Ni
The isomerization effect on coumarin-based AIEgens was systematically analyzed and further applied to H2S detection.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Drug-delivery and biological activity in colorectal cancer of a supramolecular porous material assembled from heptameric chromium-copper-adenine entities

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, 12,11156-11164
DOI: 10.1039/D4TB01521E, Paper
Sandra Mena-Gutiérrez, Ekain Maiza-Razkin, Jon Pascual-Colino, Marcos J. Araúzo-Bravo, Garikoitz Beobide, Oscar Castillo, Ainara Castellanos-Rubio, Daniela Gerovska, Antonio Luque, Sonia Pérez-Yáñez
Supramolecular metal-organic porous materials as drug delivery systems, modulation of the release kinetics using cholesterol as pore blocking agent and its impact on colorectal cancer cell cultures: cytotoxicity and RNA-seq transcriptomics studies.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

An innovative electrohydrodynamics-driven SERS platform for molecular stratification and treatment monitoring of lung cancer

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01434K, Highlight
Tuotuo Zhang, Biao Dong, Huiling Wang, Shuai Zhang
A schematic electrohydrodynamics-driven SERS platform to profile four proteins on sEVs to generate a unique molecular signature for lung cancer stratification.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Effect of supramolecular peptide hydrogel scaffold charge on HepG2 viability and spheroid formation

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01701C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Yu Xin, Cosimo Ligorio, Marie O’brien, Richard Collins, Siyuan Dong, Aline F. Miller, Alberto Saiani, Julie E. Gough
Understanding how fibre charge in self-assembling peptide hydrogel networks affect HepG2 cell fate and spheroid formation.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Nanomaterials and methods for cancer therapy: 2D materials, biomolecules, and molecular dynamics simulations

By pubs.rsc.org
Published On ::

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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Unravelling the molecular mechanobiology by DNA-Based fluorogenic tension sensor

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, Accepted Manuscript
DOI: 10.1039/D4TB01858C, Review Article
Kaushik Pal
Investigation of the biological system reveals many underlying principles that govern the regular life processes. Recently, the analysis of tiny mechanical forces associated with many biological processes revels their significance...
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Extracellular matrix mimetic supramolecular hydrogels reinforced with covalent crosslinked mesoporous silica nanoparticles

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB00499J, Paper
Open Access
Aygül Zengin, Shahzad Hafeez, Pamela Habibovic, Matthew Baker, Sabine van Rijt
Here we present a promising strategy to create hybrid, biomimetic supramolecular injectable hydrogels reinforced covalent crosslinked mesoporous silica nanoparticles for tissue engineering applications.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Quantum DFT analysis and molecular docking investigation of various potential breast cancer drugs

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, Accepted Manuscript
DOI: 10.1039/D4TB01803F, Paper
Ashraf Ayub, Ankit Raj Tyagi, Sunil Kumar Srivastava, Pranveer Singh
Breast cancer is the most often diagnosed and deadliest type of cancer in the world. These days, the world is facing the threat of breast cancer. It is essential to...
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Ti-based MOF nanosheets as a mass spectrometry imaging matrix for low molecular weight compounds to reveal the spatiotemporal content changes of hepatotoxic components during the processing of Polygonum multiflorum

By pubs.rsc.org
Published On ::

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN00964A, Paper
Feng-yan Kuang, De-jun Hu, Lu Wang, Fei Chen, Guang-ping Lv
The selection of the matrix is crucial for matrix assisted laser desorption ionization mass spectrometry imaging (MALDI-MSI).
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Molecularly imprinted polymer sensors for biomarker detection in cardiovascular diseases

By pubs.rsc.org
Published On ::

Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01103A, Critical Review
Wenteng Tang, Junlei Han, Wenhong Zhang, Huimin Li, Jun Chen, Wei Song, Li Wang
Molecularly imprinted polymer sensors, combined with electrochemical, optical, thermal, and acoustic detection technologies, detect biomarkers for key cardiovascular diseases: coronary artery disease, acute myocardial infarction, and heart failure.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

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
Published On ::

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


Full Article

mole

A time-independent, variational method for studying the photodissociation of triatomic molecules

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27519-27529
DOI: 10.1039/D4CP02771J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Marco Pezzella, Georgi Mitev, Sergei N. Yurchenko, Jonathan Tennyson, Alexander O. Mitrushchenkov
The photodissociation of molecules is becoming an increasingly important factor to consider in the evolution of exoplanets' atmospheres orbiting around UV-rich stars, as it leads to the enrichment of atmospheric complexity.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Experimental and theoretical study of the Sn–O bond formation between atomic tin and molecular oxygen

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27763-27771
DOI: 10.1039/D4CP03687E, Paper
Iakov A. Medvedkov, Anatoliy A. Nikolayev, Shane J. Goettl, Zhenghai Yang, Alexander M. Mebel, Ralf I. Kaiser
In this article, we combine state-of-art electronic structure calculations and crossed beam experiments to expose the reaction dynamics of 120Sn(3Pj) + 16O2(X3Σ−g) → 120Sn16O(X1Σ+) + 16O(3P) reaction that involve extensive ISC.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Diffracting molecular matter-waves at deep-ultraviolet standing-light waves

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27617-27623
DOI: 10.1039/D4CP03059A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ksenija Simonović, Richard Ferstl, Alfredo Di Silvestro, Marcel Mayor, Lukas Martinetz, Klaus Hornberger, Benjamin A. Stickler, Christian Brand, Markus Arndt
We demonstrate an optical 266 nm beamsplitter for molecular matter-waves, observing effects of optical molecular properties in the gas phase such as absorption cross section and polarisability.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

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
Published On ::

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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Intermolecular Hydrogen Bonding Delineates Stability of Non-canonical Adenine Base Pairs: A First-Principles Study

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP02875A, Paper
Nicholas Adu-Effah, Nabanita Saikia
Non-canonical nucleobase pairs differ from canonical Watson-Crick (WC) pairs in their hydrogen bonding patterns. This study uses density functional theory with empirical dispersion correction to examine the stability and electronic...
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Translational diffusion, molecular brightness, and energy transfer analysis of mEGFP-linker-mScarlet–I crowding biosensor using fluorescence correlation spectroscopy

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03850A, Paper
Sarah A. Mersch, Clint McCue, Alexandros Aristidou, Erin D. Sheets, Arnold J. Boersma, Ahmed A. Heikal
Fluorescence correlation spectroscopy (FCS) is used for molecular brightness, Förster resonance energy transfer (FRET), protein–protein interactions, diffusion, and size analysis of mEGFP-linker-mScarlet–I constructs in crowded environment.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Intermolecular interaction potential maps from energy decomposition for interpreting reactivity and intermolecular interactions

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03237C, Paper
Amin Kiani, Wentong Zhou, Lawrence M. Wolf
The development and application of intermolecular interaction potential maps to rationalize a range of interactions at the DFT level using suitable probes is described.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Rationalizing polymorphism with local correlation-based methods: a case study of pnictogen molecular crystals

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03697B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ahmet Altun, Eduardo Schiavo, Michael Mehring, Stephan Schulz, Giovanni Bistoni, Alexander A. Auer
Combined Hartree–Fock plus London Dispersion (HFLD) and fragment-pairwise Local Energy Decomposition (fp-LED) enables computation of lattice energies, their breakdown into pairwise terms, and assessment of relative stability sources in polymorphs.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Structure and dynamics of aqueous VOSO4 solutions in conventional flow through cell design: a molecular dynamics simulation study

By pubs.rsc.org
Published On ::

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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Breaking the Brownian Barrier: Models and Manifestations of Molecular Diffusion in Complex Fluids

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP01813C, Perspective
H. Srinivasan, Veerendra Kumar Sharma, Subhankur Mitra
Over a century ago, Einstein formulated a precise mathematical model for describing Brownian motion. While this model adequately explains the diffusion of micron-sized particles in fluids, its limitations become apparent...
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Extraction mechanism of phenolic compounds by deep eutectic solvents: DFT and molecular dynamics studies

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03453H, Paper
Lan Yi, Jinwen Wang, Jixing Liu, Hao Luo, Xiaoqin Wu, Wen-Ying Li
The mechanism of a deep eutectic solvent consisting of choline chloride and glycerol (ChCl/GLY) for extracting phenolic compounds from coal tar was theoretically studied using density functional theory and molecular...
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Flexible molecular crystals for optoelectronic applications

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, 53,3687-3713
DOI: 10.1039/D3CS00116D, Review Article
Chuanxin Wei, Liang Li, Yingying Zheng, Lizhi Wang, Jingyao Ma, Man Xu, Jinyi Lin, Linghai Xie, Panče Naumov, Xuehua Ding, Quanyou Feng, Wei Huang
This review provides a comprehensive and concise overview of the current flexible molecular crystals, specifically concerning their mechanical properties and optoelectronic performance, intending to advance their flexible optoelectronic applications.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Mitochondria-targeted BODIPY dyes for small molecule recognition, bio-imaging and photodynamic therapy

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, 53,3976-4019
DOI: 10.1039/D3CS00456B, Review Article
Sisi Wang, Lizhi Gai, Yuncong Chen, Xiaobo Ji, Hua Lu, Zijian Guo
This review focuses on the design strategy, spectroscopic characteristics, and functionalization of mitochondrion-targeted BODIPY dyes, providing an overview of these dyes for mitochondrion-targeted bioimaging and photodynamic therapy.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Squaramide-based receptors in anion supramolecular chemistry: insights into anion binding, sensing, transport and extraction

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, 53,3952-3975
DOI: 10.1039/D3CS01165H, Review Article
Open Access
Giacomo Picci, Riccardo Montis, Vito Lippolis, Claudia Caltagirone
Squaramides are a class of extremely versatile receptors for anion recognition, sensing, transport and extraction.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Improving macromolecule crowding configurations in nanopores for protein sensing

By pubs.rsc.org
Published On ::

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05344C, Communication
Fei Zheng, HongLuan Li, Jun Yang, Haiyan Wang, Guangle Qin, Dapeng Chen, Jingjie Sha
We show that PEG-induced macromolecular crowding enhances protein detection in nanopores by increasing capture rate and translocation frequency.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Mild boroxazolidone formation and dissociation: Application toward target identification of bioactive molecules

By pubs.rsc.org
Published On ::

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC05370B, Communication
Toya Tabei, Kyoko Nagasawa-Goto, Yohei Saito
We successfully found that boroxazolidone can dissociate under aqueous conditions, which were applicable to a solution containing proteins. The immobilization of a newly synthesized diarylborinic acid on beads enabled the...
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Synthesis of heteroleptic bis-phosphine bis-NHC iron (0) complexes: a strategy to enhance small molecule activation

By pubs.rsc.org
Published On ::

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05463F, Communication
Open Access
Christian M. Andre, Nathaniel K. Szymczak
We report low-valent iron complexes containing bis-NHC and bis-phosphine donor ligands that coordinate and strongly activate N2 and CO.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Supramolecular self-sorting predicted by a simple harmonic oscillator model

By pubs.rsc.org
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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Direct alkene functionalization via photocatalytic hydrogen atom transfer from C(sp3)–H compounds: a route to pharmaceutically important molecules

By pubs.rsc.org
Published On ::

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05026F, Highlight
Hangqian Fan, Yuxin Fang, Jingbo Yu
Direct functionalization of alkenes with C(sp3)–H substrates offers unique opportunities for the rapid construction of pharmaceuticals and natural products.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Exploring the effect of pressure on the crystal structure and caloric properties of the molecular ionic hybrid [(CH3)3NOH]2[CoCl4]

By pubs.rsc.org
Published On ::

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05125D, Communication
Open Access
Pedro Dafonte-Rodríguez, Ignacio Delgado-Ferreiro, Javier García-Ben, Angel Ferradanes-Martínez, María Gelpi, Julian Walker, Charles James McMonagle, Socorro Castro-García, María Antonia Señarís-Rodríguez, Juan Manuel Bermúdez-García, Manuel Sánchez-Andújar
The hybrid metal halide [(CH3)3NOH]2CoCl4 exhibits a first-order phase transition at T ∼ 343 K.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Intramolecular cyclization of N-aryl amides for the synthesis of 3-amino oxindoles

By pubs.rsc.org
Published On ::

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05259E, Communication
Haitao Yang, Yu Pan, Yijing Tian, Kaili Yu, Yifeng Bai, Yonggang Jiang, Hongbin Zhang, Guogang Deng, Xiaodong Yang
A mild and efficient strategy to synthesize pharmaceutically important 3-amino oxindoles from readily available N-aryl amides has been developed.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Synthesis of substituent-free dioxadiaza[8]circulene to investigate intermolecular interactions and photophysical properties

By pubs.rsc.org
Published On ::

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05539J, Communication
Aoi Nakagawa, Wataru Ota, Takumi Ehara, Yusuke Matsuo, Kiyoshi Miyata, Ken Onda, Tohru Sato, Shu Seki, Takayuki Tanaka
Substituent-free dioxadiaza[8]circulene has been synthesized and its dense packing structure and optical properties were analyzed in detail.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article

mole

Iron-catalysed intramolecular C(sp3)–H amination of alkyl azides

By pubs.rsc.org
Published On ::

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC04169K, Feature Article
Open Access
Kai Wu, Chi-Ming Che
This review summarizes recent major advances in iron-catalysed C–H aminations of alkyl azides through iron–alkylnitrene/alkylimido intermediates to access various N-heterocycles.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry


Full Article