mi

Experimental and simulation study of reverse micelles formed by aerosol-OT and water in non-polar solvents

Phys. Chem. Chem. Phys., 2024, 26,27772-27782
DOI: 10.1039/D4CP03389B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Angie Mat'usová, Georgina Moody, Peter J. Dowding, Julian Eastoe, Philip J. Camp
Small-angle neutron scattering and molecular dynamics simulations are used to characterise aerosol-OT reverse micelles. Simulations capture spontaneous self-assembly, compare favourably with experiments, and give microscopic information.
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mi

A combination of experimental and theoretical methods in evaluating triazole derivatives' mild steel corrosion inhibition ability in an acidic solution

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03537B, Paper
Ngo Hong Cat Van, Nguyen Quang Trung, Pham Dinh Tu Tai, Pham Cam Nam, Dinh Quy Huong
The introduction of many nitrogen heteroatoms into inhibitor molecules improves corrosion inhibition efficiency.
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mi

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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mi

Molten salt synthesized Tb3+, Pr3+ or Dy3+ single doped CaTa4O11 with persistent luminescence

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03989K, Paper
Yuhan Fan, Yongze Cao, Meiling Li, Sai Xu, Yichao Wang, Xizhen Zhang, Jinsu Zhang, B. J. Chen
A series of Tb3+, Pr3+ and Dy3+ monodoped CaTa4O11(CTO) persistent luminescence (PersL) phosphors have been successfully synthesized by molten salt method with KCl flux. The PersL color is green and...
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mi

Laser-induced fabrication of a supercooled liquid droplet embedded in an ice microcrystal

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03529A, Paper
Shuichi Hashimoto, Takayuki Uwada
Near-IR laser-induced melting of ice microparticles proceeded with formation and growth of liquid domains in the ice lattice, resulting in a liquid droplet encapsulated in a microparticle.
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mi

Insight into physico-chemical properties of oxalatoborate-based ionic liquids through combined experimental-theoretical characterization

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02296C, Paper
Open Access
Matteo Palluzzi, Giorgia Mannucci, Akiko Tsurumaki, Matteo Busato, Maria Assunta Navarra, Paola D’Angelo
An anion–anion attraction was inferred from the thermal behavior of oxalate-borate ionic liquids and confirmed through computational methods.
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mi

Exploring the electrochemical properties and lithium insertion mechanisms in akaganeite (β-FeOOH) – a combined DFT/experimental study

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02947J, Paper
Paulo Roberto Garcês Gonçalves, Heitor Avelino De Abreu, Luciano Andrey Montoro, Gabriela Cordeiro Silva, Angela de Mello Ferreira, Hélio Anderson Duarte
Unveiling the unique charge/discharge characteristics of akaganeite offers valuable insights into electron transfer mechanisms through experimental and DFT calculations.
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mi

Effects of oxide platforms on the dynamics and reduction characteristics of hydrogen spillover

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03093A, Paper
Kazuki Shun, Akihito Fujimoto, Kohsuke Mori, Hiromi Yamashita
The interparticle hydrogen spillover can be facilitated over TiO2 and WO3 as a consequence of the interfacial diffusion of H+ and e pairs, while the e diffusion coupled with H+ is inhibited on MgO and CeO2.
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mi

Density scaling and isodynes in glycerol-water mixtures

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP02231A, Paper
David B. Noirat, Bernhard Frick, Bo Jakobsen, Markus Appel, Kristine Niss
This paper presents dielectric and neutron spectroscopy data on two different glycerol-water mixtures at elevated pressures. Glycerol-water liquid mixtures have a high concentration of hydrogen bonds which usually is expected...
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mi

Morphology optimization via pre-aggregation and miscibility matching in PM6:L8-BO ternary organic solar cells

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03206C, Paper
Chuyue Wei, Junwei Zhang, Jing Deng, Xiangyan Yang, Jiahui Luo, Zixiao Xu, Lin Zhang, Shuaishuai Yuan, Weihua Zhou
Pre-aggregation and miscibility matching accounting for morphology optimization in ternary organic solar cells based on a PM6:L8-BO system.
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mi

Investigation on the combustion mechanism for NF3/H2 in DF/HF chemical lasers: a new perspective based on deep potential molecular dynamics simulations

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03014A, Paper
Yinhua Ma, Dongmei Mu, Meiheng Lv, Nan Wang, Huaxin Liu, Fangjian Shang, Jianyong Liu
Combustion-driven deuterium fluoride/hydrogen fluoride (DF/HF) lasers are a crucial type of chemical lasers.
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mi

A Comprehensive Guide for Accurate Conformational Energies of Microsolvated Li+ Clusters with Organic Carbonates

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03487B, Paper
Arseniy A. Otlyotov, Andrey Moshchenkov, Timofey P. Rozov, Anna A. Tuma, Alexander S. Ryzhako, Yury Minenkov
Organic carbonates and their mixtures are frequently used in electrolyte solutions in lithium-ion batteries. Rationalization and tuning of the related Li+ solvation processes are rooted in the proper identification of...
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mi

Theoretical Insights into the Vibrational Spectra and Chemical Bonding of Ln(III) Complexes with a Tripodal N4O3 Ligand Along the Lanthanide Series

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03677H, Paper
Francielle C Machado, Mateus M Quintano, Carlos Vital dos Santos Junior, Albano Carneiro Neto, Elfi Kraka, Ricardo Luiz Longo, Renaldo Tenorio Moura Jr.
{This study provides new theoretical insights into the vibrational spectra of Ln(III) complexes, along the lanthanide series by utilizing the LModeAGen protocol and integrating cutting-edge topological ideas. It provides a...
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mi

The local atomic distribution in tetragonal PZT

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03354J, Paper
Jun-Yu Niu, zengzhe Xi, Chong Li
Expanding on the comprehensive research conducted by previous scholars. Herein, to elucidate the intrinsic piezoelectricity of tetragonal Pb(Zr1-xTix)O3 (PZT), we focus on the local atomic distribution which was neglected for...
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mi

Multi-scale study on the electrochemical behavior and corrosion mechanism of 5083 aluminum alloy with different microstructures in a NaCl environment

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03380A, Paper
Zhijie Dai, Zhengbing Xiao, Dahong Zhao, Sunhang Xiao, Yuanchun Huang, Qingsong Dai
Multi-scale study on the electrochemical behavior and corrosion mechanism of 5083 aluminum alloy with different microstructures in a NaCl environment.
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mi

Simulation study of the conformation and dynamics of substrate-supported ring and linear polymer films

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02794A, Paper
Jianhua Huang, Hongzhu Ji, Jin Zhang, Zhunpeng Wang
Ring polymers in substrate-supported films exhibit stronger adsorbability, less deformation, and similar dynamics suppression compared to linear polymers.
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mi

Deciphering the spectroscopic and thermodynamic aspects of binding of biologically important antioxidants with the alkali induced state of human serum albumin

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03636K, Paper
Anjali Maheshwari, Nand Kishore
Protein–ligand interactions are crucial for developing and identifying novel therapeutic targets.
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mi

Radiolytic degradation of selective actinide extractants from the bis-1,2,4-triazine family in cyclohexanone solutions

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02623C, Paper
Adrian Sulich, Jan Grodkowski, Krzysztof Bobrowski
Absorption spectra of transients derived from bis-1,2,4-triazine ligands in cyclohexanone solutions mimicking the extraction system studied by pulse radiolysis. The addition of benzophenone and saturation by O2 protect ligands from radiation damage.
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mi

Magnetic field enhanced discharge and water activation of atmospheric pressure plasma jet: effect of assistance region and underlying physico-chemical mechanism

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03938F, Paper
Xiongfeng Zhou, Bin Chen, Hua Liao, Kun Liu
Magnetic field-assistance holds the promise of becoming a new or complementary approach to enhance the efficiency of atmospheric pressure plasma jet (APPJ), but there is currently a lack of research...
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mi

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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mi

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

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...
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mi

Unfolding the beauty of origami

Have you ever found a piece of paper and folded it into something beautiful like a flower or an aeroplane? If so, then you dabbled into the art of paper folding called Origami. From simple cranes to creative geometric stuff, origami is more than paper folding; it combines art, culture and science. Let’s unfold everything about origami!




mi

Chennai | Memories and mothers are the centre of this exhibition-performance by Nimi Ravindran

Nimi Ravindran decides to open her Pandora’s box to mediate on memories and mothers at this exhibition-performance 




mi

Children across India to fold origami paper cranes in memory of Sadako Sasaki

The Cuckoo Movement for Children and the Peace of Paper studio invite children to fold origami paper cranes in memory of Sadako Sasaki, whose death anniversary falls on October 25




mi

Singer Dana Razik and her family feature in an original musical production, Rooh-E-Mardem

Dana Razik and her family unite for an original music video Rooh-E-Mardem



  • Life & Style

mi

Indian contemporary art on show at Lalit Kala Akademi in Chennai

From bright expressionism to figurative sculptures, diverse work of five Indian contemporary artists populate Lalit Kala Akademi




mi

Rapper Iykki Berry’s new single celebrates Tamil pride and Thanjavur

Rapper and singer-songwriter Iykki Berry’s new single is a nod to Thanjavur, her hometown




mi

Millenials and Gen Z choose crochet, knitting, and tufting over doomscrolling

Need a break from your electronic devices? An increasing number of millenials and the Gen Z are now taking to fun, crafty hobbies which include knitting, crochet, and tufting



  • Life & Style

mi

Indie bands: The challenge of zeroing in on the right mix

Indie musicians fuse genres and tap into social media to capture their audience, but still struggle to record and release an album




mi

PIX: Palak Weds Mithoon

Singer Palak Muchhal and Composer Mithoon wed in an intimate ceremony.




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PIX: Palak-Mithoon's Wedding Reception

While the wedding was an intimate affair featuring only family and close friends, the couple hosted a grand reception for industry folk.




mi

The Importance of Title Tags: Tips and Tricks to Optimize for SEO

When it comes to on-page SEO, there’s one element that plays a pivotal role in both search engine rankings and user engagement: the HTML title tag. Often overlooked, this small but mighty piece of code can have a significant impact on how your website is perceived by search engines like Google and by potential visitors browsing the search engine results pages.




mi

Empowering ultrathin polyamide membranes at the water–energy nexus: strategies, limitations, and future perspectives

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00803G, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Pulak Sarkar, Chenyue Wu, Zhe Yang, Chuyang Y. Tang
This review details the design and creation of ultrathin polyamide membranes with significant enhancement in water permeance along with the limitations and potential strategies to empower their efficacy in ionic and molecular separations.
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mi

Microstructures of layered Ni-rich cathodes for lithium-ion batteries

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00741C, Review Article
Jingyu Lu, Chao Xu, Wesley Dose, Sunita Dey, Xihao Wang, Yehui Wu, Deping Li, Lijie Ci
The microstructural degradation, stabilization, and characterization of layered Ni-rich cathodes for Li-ion batteries are comprehensively reviewed in this paper.
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mi

Oxygen vacancy chemistry in oxide cathodes

Chem. Soc. Rev., 2024, 53,3302-3326
DOI: 10.1039/D3CS00872J, Review Article
Yu-Han Zhang, Shu Zhang, Naifang Hu, Yuehui Liu, Jun Ma, Pengxian Han, Zhiwei Hu, Xiaogang Wang, Guanglei Cui
This review focuses on the chemical thermodynamics and reaction kinetics of intrinsic and anionic redox-mediated oxygen vacancies in oxide cathodes.
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mi

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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mi

Recent advances in super-resolution optical imaging based on aggregation-induced emission

Chem. Soc. Rev., 2024, 53,3350-3383
DOI: 10.1039/D3CS00698K, Review Article
Feng-Yu Zhu, Li-Jun Mei, Rui Tian, Chong Li, Ya-Long Wang, Shi-Li Xiang, Ming-Qiang Zhu, Ben Zhong Tang
From aggregation-induced emission to super-resolution imaging: the significance of reversible dynamic interaction.
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mi

Sixty years of electrochemical optical spectroscopy: a retrospective

Chem. Soc. Rev., 2024, 53,3579-3605
DOI: 10.1039/D3CS00734K, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Chao-Yu Li, Zhong-Qun Tian
After sixty years of development, electrochemical optical spectroscopy has evolved from the early phase of proof-of-concept to an advanced phase with various spectroscopic modes and has contributed significantly to the field of electrochemistry.
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mi

SERS-based microdevices for use as in vitro diagnostic biosensors

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01055D, Review Article
Sungwoon Lee, Hajun Dang, Joung-Il Moon, Kihyun Kim, Younju Joung, Sohyun Park, Qian Yu, Jiadong Chen, Mengdan Lu, Lingxin Chen, Sang-Woo Joo, Jaebum Choo
This review explores various microdevices developed for applying SERS technology to in vitro diagnostics and delves into their clinical applications.
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mi

Protein misfolding and amyloid nucleation through liquid–liquid phase separation

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01065A, Review Article
Semanti Mukherjee, Manisha Poudyal, Kritika Dave, Pradeep Kadu, Samir K. Maji
Protein misfolding and amyloid aggregation, linked to neurodegenerative diseases, can result from liquid–liquid phase separation (LLPS) and a subsequent liquid-to-solid transition. This represents LLPS as a generic mechanism in amyloid nucleation.
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mi

Advances in morphology-controlled alumina and its supported Pd catalysts: synthesis and applications

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00776F, Review Article
Yanpeng Yang, Chenglin Miao, Ruoyu Wang, Rongxin Zhang, Xiaoyu Li, Jieguang Wang, Xi Wang, Jiannian Yao
This review highlights the preparation and regulation strategies of alumina materials from different dimensions and summarizes the preparation, metal–support interaction, and application of Pd/Al2O3 catalysts on important industrial catalysis.
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mi

Bridging the gap between academic research and industrial development in advanced all-solid-state lithium–sulfur batteries

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00439B, Review Article
Jieun Lee, Chen Zhao, Changhong Wang, Anna Chen, Xueliang Sun, Khalil Amine, Gui-Liang Xu
This review builds upon the fundamentals and substantial progress achieved, aiming to inspire the battery community to advance all-solid-state lithium–sulfur batteries toward practical applications and accelerate the industrialization process.
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mi

Mechanistic studies on single-electron transfer in frustrated Lewis pairs and its application to main-group chemistry

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D4CS00185K, Tutorial Review
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Lars J. C. van der Zee, Jelle Hofman, Joost M. van Gaalen, J. Chris Slootweg
Here, we discuss predicting thermal and photoinduced single-electron transfer (SET) in frustrated Lewis pairs (FLPs) and characterizing the resulting radical pair. We then extend these methods' application to main-group chemistry.
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mi

Electrochemical coupling in subnanometer pores/channels for rechargeable batteries

Chem. Soc. Rev., 2024, 53,3829-3895
DOI: 10.1039/D3CS01043K, Review Article
Yao-Jie Lei, Lingfei Zhao, Wei-Hong Lai, Zefu Huang, Bing Sun, Pauline Jaumaux, Kening Sun, Yun-Xiao Wang, Guoxiu Wang
This review categorizes subnanometer pores/channels (SNPCs) from structural perspective and demonstrates electrochemical couplings in SNPCs for batteries while proposing corresponding challenges and future research directions.
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mi

Recent advances in the chemistry of isolable carbene analogues with group 13–15 elements

Chem. Soc. Rev., 2024, 53,3896-3951
DOI: 10.1039/D3CS00784G, Review Article
Mian He, Chaopeng Hu, Rui Wei, Xin-Feng Wang, Liu Leo Liu
This review provides an overview of main group carbene analogues, covering recent advancements, synthesis strategies, and the diverse reactivity of elements in groups 13–15 based on their structural characteristics.
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mi

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

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.
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mi

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

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.
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mi

Nanochemistry of gold: from surface engineering to dental healthcare applications

Chem. Soc. Rev., 2024, 53,3656-3686
DOI: 10.1039/D3CS00894K, Review Article
Shuang Zhang, Na Kong, Zezheng Wang, Yangheng Zhang, Can Ni, Lingjun Li, Hongbin Wang, Min Yang, Wenrong Yang, Fuhua Yan
This review provides a comprehensive overview of the latest nanochemistry advancements in the design, synthesis, and utilization of engineered gold nanostructures (GNSs) for dental healthcare applications.
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mi

Vettel would be amazing option for Mercedes, says Hamilton

“I would love for Seb to come back and I think he would be an amazing option for the team,” Hamilton, who joins Ferrari next season, told a press conference at the Suzuka Circuit ahead of the Japanese Grand Prix




mi

Russell says Hamilton exit will give Mercedes fresh start