Faraday Discuss., 2024, 253,146-180
DOI: 10.1039/D4FD90034K, Discussion

Andrew P. Abbott, Rob Atkin, Muhammad Dabai Bala, Stuart J. Brown, Duncan W. Bruce, Paola Carbone, Franca Castiglione, Margarida Costa Gomes, Jean-François Dufrêche, Karen J. Edler, Andrew Feeney, Kateryna Goloviznina, Juan Luis Gómez-Estévez, Timothy S. Groves, Benworth Hansen, Rachel Hendrikse, Christian Holm, Pierre Illien, Roland Kjellander, Alexei Kornyshev, Claudio J. Margulis, Joshua Maurer, Shurui Miao, Susan Perkin, Elixabete Rezabal, Beatriz Rocha de Moraes, Bernhard Roling, Benjamin Rotenberg, Joshua Sangoro, Nicolas Schaeffer, Monika Schönhoff, Karina Shimizu, John M. Slattery, Neave Taylor, Yasuhiro Umebayashi, Adriaan van den Bruinhorst, Masayoshi Watanabe, Fabian Zills
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Faraday Discuss., 2024, 254,542-569
DOI: 10.1039/D4FD00062E, Paper

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Kemal Atalar, Yannic Rath, Rachel Crespo-Otero, George H. Booth
Efficient multi-state interpolation of many-body wavefunctions enables rigorous nonadiabatic molecular dynamics with analytical forces and nonadiabatic coupling vectors.
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Faraday Discuss., 2024, 254,641-652
DOI: 10.1039/D4FD00068D, Paper

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Jiachen Li, Tianyu Zhu
The use of overlapping atom-centered impurity fragments in recently-developed ab initio all-orbital DMFT, where all local orbitals within the impurity are treated with high-level quantum chemistry impurity solvers, is investigated.
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D3FD00179B, Paper

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Michael E. Ritter, Simone Alexis DeSouza, Hannah Marie Ogden, Tara J Michael, Amy S Mullin
Collisions of optically centrifuged CO₂ molecules with J=244-282 (E_rot =22,800-30,300 cm^-1) are investigated with high-resolution transient IR absorption spectroscopy to reveal collisional and orientational phenomena of molecules with hyper-thermal rotational...
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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01952K, Research Article

Hongdao Li, Chaoyi Jin, Jing Han, Jianke Tang, Xiaofeng Han, Zhenjun Song
Nitronyl nitroxide in Ln(III) multi-spin clusters has been utilized for realizing the regulation of NIR-II photothermal conversion and magnetic dynamics.
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Lab Chip, 2024, 24,2005-2016
DOI: 10.1039/D3LC00578J, Paper

Hossein Dayyani, Alireza Mohseni, Mohamad Ali Bijarchi
The manipulation of biocompatible magnetic liquid marbles, formed by wrapping magnetic nanoparticles around water droplets, on the water surface under the steady and variable magnetic fields.
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Lab Chip, 2024, 24,1930-1946
DOI: 10.1039/D3LC00859B, Paper

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Felix Richter, Maryline Calonne-Salmon, Marcel G. A. van der Heijden, Stéphane Declerck, Claire E. Stanley
A new microfluidic platform – the AMF-SporeChip – enables immobilisation of arbuscular mycorrhizal fungal spores and confrontation of asymbiotic hyphae with physical obstacles, allowing the identification of various exploration strategies.
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Lab Chip, 2024, 24,1887-1902
DOI: 10.1039/D3LC00507K, Paper

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Chu-Chun Liang, Po-Yen Chen, Nien-Che Liu, I-Chi Lee
A 3D neural spheroid-based system with an interstitial level of flow for simulating the brain microenvironment toward a dynamic amyloid-β induced neuronal toxic model was established. A real-time impedance recording was used to monitor the neural network formation and disconnection.
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Lab Chip, 2024, Advance Article
DOI: 10.1039/D4LC00159A, Paper

Lixue Liang, Xueying Wang, Dong Chen, Palaniappan Sethu, Guruprasad A. Giridharan, Yanxia Wang, Yu Wang, Kai-Rong Qin
The best pulsation frequency mode of the RBP would be one that changes every 2–3 times of the cardiac cycle. The proposed in vitro microfluidic model could provide an effective platform to select the best working mode of the RBP for heart failure.
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Lab Chip, 2024, Accepted Manuscript
DOI: 10.1039/D4LC00075G, Paper

Abdul Basit Zia, Justin Farrell, Ian G. Foulds
The paper demonstrates an adaptation of a 3D printer (Prusa Mini+) with novel modules to develop a droplet generation system that generates combinatorial droplets from a standard 96 well plate....
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Lab Chip, 2024, Advance Article
DOI: 10.1039/D4LC00009A, Paper

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Bastián Carnero, Yago Radziunas-Salinas, Bruno K. Rodiño-Janeiro, Sylvana Varela Ballesta, M. Teresa Flores-Arias
The proposed hybrid technique for passive straight micromixer manufacturing by combining pulsed laser ablation and stereolithographic 3D printing.
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React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00432A, Paper

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Theodoros Papalas, Andy N. Antzaras, Angeliki A. Lemonidou
MgO promoted with molten alkali salts and CaCO₃ displayed efficient CO₂ capture activity in a fixed bed reactor, attaining 75% CO₂ removal at 275 °C and stable cyclic performance, with the promoters providing an alternative carbonation mechanism.
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Soft Matter, 2024, 20,2969-2977
DOI: 10.1039/D4SM00204K, Paper

Rounak Bhattacharyya, Bhaskar Sen Gupta
Phase separation of segregating fluid mixtures in the presence of quenched disorder.
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Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01670F, Paper

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Roee Bashan, Naomi Oppenheimer
We show that in many cases aligned active particles in a two-dimensional fluid attract and form fractal-like clusters.
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Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01116J, Paper

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Max Sonzogni, Jean-Mathieu Vanson, Katerina Ioannidou, Yvan Reynier, Sébastien Martinet, Farhang Radjai
The compaction of cohesive granular materials is a common operation in powder-based manufacture of many products.
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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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Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00206G, Paper

Suvendu Kumar Panda, Srikanta Debata, Nomaan Alam Kherani, Dhruv Pratap Singh
The ability to move and self-organize in response to external stimuli is a fascinating feature of living active matter. Here, the metallo-dielectric rod-shaped microswimmers are shown to have a similar...
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Soft Matter, 2024, 20,3376-3376
DOI: 10.1039/D4SM90050B, Correction

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Joe J. Bradley, Vincent A. Martinez, Jochen Arlt, John R. Royer, Wilson C. K. Poon
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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00131A, Paper

Li Yuan, Hao Sun, Xuening Ma, Yang Wang, Zilong Guo, Xingyu Qi, Shimin Le, Hu Chen
The free energy landscapes of AcP in the absence and presence of Pi are constructed by using stable magnetic tweezers.
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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00115J, Paper

Peyton Carden, Sirui Ge, Bingrui Li, Subarna Samanta, Alexei P. Sokolov
Relaxation processes in polymers with phase separated dynamic bonds include segmental (α) process, individual bond dissociation (α*) and rearrangement (intermediate), structural relaxation in clusters (α₂) and terminal relaxation (c).
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RSC Adv., 2024, 14,12703-12719
DOI: 10.1039/D4RA01074D, Paper

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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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RSC Adv., 2024, 14,13237-13250
DOI: 10.1039/D4RA02029D, Paper

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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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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00684D, Paper

Haoxin Niu, Yu Li, Ping Zhang, Wenwen Guo, Xin Wang, Yuan Hu
Self-healable and reprocessable eugenol-derived covalent adaptable thermosets were fabricated via dynamic covalent boronic esters and thiol–ene click chemistry.
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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00857J, Paper

Jiaman Hu, Zihao Wang, Minglin Yang, Chuansong Yu, Siyu Li, Yinggang Miao, Xiangqian Quan, Jize Liu, Shiyang Shao
High-performance coatings with advanced functions such as long afterglow luminescence and self-healing have attracted great interest around the world, however, the integration of these desired multifunctions in a single composite...
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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY01109K, Paper

Arun Mondal, S. K. Sujauddin, Dhiman Mondal, Soumya Kolay, Shuvajyoti Sarkar, Mijanur Rahaman Molla
Here, we demonstrated a new methodology for the templated synthesis of cross-linked poly(disulfide)s based dynamic covalent nanonetwork as highly stable potential delivery vehicle in the field of chemotherapeutic applications. The...
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J. Mater. Chem. B, 2024, Accepted Manuscript
DOI: 10.1039/D4TB01679C, Review Article

Yafang Shi, Chengzhilin Li, Linquan Li, Qingbin He, Qingyi Zhu, Ziang Xu, Yanzi Liu, Nianlei Zhang, Meng Zhang, Jianwei Jiao, Runxiao Zheng
Sonodynamic therapy (SDT) is a burgeoning and newfangled therapy modality with great application potential. Sonosensitizers are most essential factors to ensure the effectiveness of SDT. For the past few years,...
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J. Mater. Chem. B, 2024, 12,11259-11264
DOI: 10.1039/D4TB01872A, Paper

Liu Yang, Shenglong Gan, Jie Zhang, Yin Jiang, Qingxin Chen, Hongyan Sun
A dual-functional photosensitizer was developed, exhibiting potent phototoxicity and sensitivity to polarity changes.
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J. Mater. Chem. B, 2024, 12,11165-11171
DOI: 10.1039/D4TB01650E, Paper

Fangqing Ge, Yujie Sun, Yu Wang, Dan Yu, Zhijia Wang, Fabiao Yu, Bingran Yu, Hongbing Fu
A H₂O₂-activatable Bodipy with simultaneous type I and type II photosensitization was designed for tumor imaging and therapy.
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J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB02019G, Highlight

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Qihang Ding, Yue Wang, Pengfei Zhang, Ling Mei
Kim et al. present a small-molecule photosensitizer, LuCXB, which combines a COX-2 inhibitor (celecoxib) with a near-infrared lutetium texaphyrin photocatalyst and was loaded CD133-aptamer functionalized exosome for cancer stem cells targeting.
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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.
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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.
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J. Mater. Chem. B, 2024, Accepted Manuscript
DOI: 10.1039/D4TB01653J, Paper

Qiufen Tian, Zifan Zhu, Yun Feng, Shirui Zhao, Hui Lin, Wen Zhang, Zhiai Xu
Radiotherapy is a primary modality in cancer treatment but accompanied by severe side effects to healthy tissues and radiation resistance to some extent. To overcome these limitations, we developed a...
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J. Mater. Chem. B, 2024, Accepted Manuscript
DOI: 10.1039/D4TB01916D, Paper

Yandong Huang, Lanting Jia, Shiqi Zhang, Lan Yan, Lei Li
The conventional inorganic semiconductors are not suitable for acting as nanozymes or sonosensitizers for in vivo therapeutic nanomedicine owing to the lack of excellent biocompatibility. Biocompatible carbon dots (CDs) exhibit...
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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)).
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Phys. Chem. Chem. Phys., 2024, 26,27248-27259
DOI: 10.1039/D4CP03183K, Review Article

Danuta Kruk, Elzbieta Masiewicz, Roksana Markiewicz, Rajendra Kumar Singh
Nuclear magnetic resonance relaxometry probes the translational and rotational dynamics of ionic liquids. To take advantage of this unique experimental potential, appropriate theoretical models are needed.
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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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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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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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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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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02934H, Paper

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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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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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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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Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00119B, Paper

Hossein Roohi, Sajedeh Habibipour, Khatereh Ghauri
In this work, physicochemical properties of the dicationic ionic liquids [BTAD][A1–8]₂ ([BTAD]²⁺ = [p-C₆O₂(N₃H₂)₂]²⁺ and A1–8 = [CH₃CO₂]⁻, [CF₃CO₂]⁻, [N(CN)₂]⁻, [CF₃SO₃]⁻, [ClO₄]⁻, [BF₄]⁻, [NTf₂]⁻ and [PF₆]⁻) were theoretically investigated.
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New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00510D, Paper

Bochun Wang, Yuzhan Li, ChangLi Zhang, Sirong Sun, Wanli He, Dong Wang, Hui Cao, Zhou Yang
Organic ultra-long room temperature phosphorescence (OURTP) has been widely used in applications including encryption and anti-counterfeiting. However, few research has focused on circularly polarised luminescence (CPL) with RTP materials. In...
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New J. Chem., 2024, 48,7347-7355
DOI: 10.1039/D4NJ00016A, Paper

Yuqi Zhu, Aamir Mehmood, Daixi Li
Cyclic peptides have the characteristics of antibodies and small molecules and have better advantages over small molecules.
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New J. Chem., 2024, 48,7394-7404
DOI: 10.1039/D3NJ05482A, Paper

Wenbin Wu, Jing Wang, Xiaojie Liang, Laixi Luo, Yaohong Yang, Fan Zhou, Shuduan Deng, Yumin Song, Le Yang, Kunyong Kang
Photocatalytic sterilization technology is a strategy that is environmentally friendly for killing drug-resistant bacteria using solar energy.
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Org. Biomol. Chem., 2024, Advance Article
DOI: 10.1039/D4OB00192C, Paper

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Claudia M. Ramírez-Lozano, Ma. Eugenia Ochoa, Pablo Labra-Vázquez, Arturo Jiménez-Sánchez, Norberto Farfán, Rosa Santillan
The design, synthesis, and characterization of seven novel steroid–coumarin conjugates with diverse steroidal nuclei as lipophilic fluorescent materials for bioimaging applications are presented.
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Org. Biomol. Chem., 2024, Advance Article
DOI: 10.1039/D4OB00015C, Communication

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Miguel Alena-Rodriguez, Marcos Fernandez-Villamarin, Ignacio Alfonso, Paula M. Mendes
An effective workflow to discover selective saccharide receptors by combining dynamic combinatorial chemistry with isothermal titration calorimetry and NMR.
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