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NN bond cleavage in diazirines by a cyclic diborane(4) compound

Chem. Sci., 2024, 15,18048-18051
DOI: 10.1039/D4SC04980B, Edge Article
Open Access
Minling Zhong, Jie Zhang, Zuowei Xie
Reactions of o-carborane-fused diborane(4) with 3H-diazirines lead to the complete cleavage of the NN bond, with one nitrogen atom being incorporated into the B–B bond.
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Spotting d-band centers of single-atom catalysts by oxygen intermediate-boosted electrochemiluminescence

Chem. Sci., 2024, 15,18085-18092
DOI: 10.1039/D4SC03763D, Edge Article
Open Access
Ruyu Xie, Kaitao Li, Rui Tian, Chao Lu
We have proposed an oxygen intermediate-boosted electrochemiluminescence probe for rapid spotting of the d-band centers of single-atom catalysts: the d-band centers closer to the Fermi level contributed to higher luminol ECL intensities.
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A perspective on next-generation hyperfluorescent organic light-emitting diodes

Chem. Sci., 2024, 15,17739-17759
DOI: 10.1039/D4SC05489J, Perspective
Open Access
Upasana Deori, Gyana Prakash Nanda, Caroline Murawski, Pachaiyappan Rajamalli
The evolution of next-generation HF-OLED technology and current challenges.
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Recent advances in hydrogel-based flexible strain sensors for harsh environment applications

Chem. Sci., 2024, 15,17799-17822
DOI: 10.1039/D4SC05295A, Review Article
Open Access
Miaoyu Li, Jie Pu, Qinghe Cao, Wenbo Zhao, Yong Gao, Ting Meng, Jipeng Chen, Cao Guan
The application of hydrogel-based flexible strain sensors in harsh environments, including extreme temperatures, humidity, high mechanical strain, and strong corrosion, is investigated.
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A critical factor in reactive oxygen species (ROS) studies: the need to understand the chemistry of the solvent used: the case of DMSO

Chem. Sci., 2024, 15,17843-17851
DOI: 10.1039/D4SC05038J, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Shubham Bansal, Binghe Wang
Reactive oxygen species (ROS) play critical roles in normal physiological processes including cellular signaling and immune responses.
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Substituent effect in determining the total structure of an all-alkynyl-protected Ag98 nanocluster for methanol tolerant oxygen reduction reaction

Chem. Sci., 2024, 15,18161-18169
DOI: 10.1039/D4SC04318A, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Xiaoqin Cui, Xuehuan Zhang, Ting Li, Sheng Zhu, Gaoyi Han, Huan Li
A sterically demanding ortho-CF3 substituent defines not only the arrangement of ligands on a Ag98(2-CF3PhCC)48Cl4 nanocluster (Ag98) but also the inter-cluster interactions. Ag98 shows excellent methanol tolerance in the oxygen reduction reaction.
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Automated electrosynthesis reaction mining with multimodal large language models (MLLMs)

Chem. Sci., 2024, 15,17881-17891
DOI: 10.1039/D4SC04630G, Edge Article
Open Access
Shi Xuan Leong, Sergio Pablo-García, Zijian Zhang, Alán Aspuru-Guzik
Leveraging multimodal large language models (MLLMs) to process multimodal data inputs and complex inter-modality data dependencies for automated (electro)chemical data mining from scientific literature.
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Enhancing hydrogen evolution reaction activity through defects and strain engineering in monolayer MoS2

Chem. Sci., 2024, 15,18127-18134
DOI: 10.1039/D4SC04874A, Edge Article
Open Access
Renjith Nadarajan, Sraboni Dey, Arijit Kayal, Joy Mitra, Manikoth M. Shaijumon
The synergistic creation of vacancy defects, along with strain-induced active sites is shown to enhance hydrogen evolution reaction (HER) performance of CVD-grown monolayer MoS2.
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FragGen: towards 3D geometry reliable fragment-based molecular generation

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04620J, Edge Article
Open Access
Odin Zhang, Yufei Huang, Shichen Cheng, Mengyao Yu, Xujun Zhang, Haitao Lin, Yundian Zeng, Mingyang Wang, Zhenxing Wu, Huifeng Zhao, Zaixi Zhang, Chenqing Hua, Yu Kang, Sunliang Cui, Peichen Pan, Chang-Yu Hsieh, Tingjun Hou
FragGen introduces a novel fragment-based AI-based molecular design method. It proposes the geometry handling protocol to improve the generation quality and has been applied to design highly bioactive type II kinase inhibitors.
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Porous liquids: an integrated platform for gas storage and catalysis

Chem. Sci., 2024, 15,17720-17738
DOI: 10.1039/D4SC04288C, Perspective
Open Access
Errui Li, Kevin M. Siniard, Zhenzhen Yang, Sheng Dai
In this perspective, recent discoveries in the integration of gas storage and catalysis by leveraging PL platforms have been summarized, highlighting the unique features different from those of traditional homogeneous or heterogeneous procedures.
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Double coordination shell modulation of nitrogen-free atomic manganese sites for enhancing oxygen reduction performance

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05998K, Edge Article
Open Access
Xue Bai, Yin Wang, Jingyi Han, Siyu Chen, Xiaodi Niu, Jingqi Guan
Utilizing double coordination shell modulation, we construct a novel nitrogen-free single-atom manganese coordination configuration catalyst on graphene oxide (Mn–S1O4G), which exhibits excellent ORR and zinc–air battery performances.
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Dilute nanocomposites for capacitive energy storage: progress, challenges and prospects

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC05437G, Perspective
Open Access
Li Li, Wenhan Xu, Guanchun Rui, Shixian Zhang, Qiming Zhang, Qing Wang
Electrostatic capacitors (ECs) are critical components in advanced electronics and electric power systems due to their rapid charge-discharge rate and high power density. While polymers are ideal for ECs due...
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The Effect of gem-Difluorination on the Conformation and Properties of a Model Macrocyclic System

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC05424E, Edge Article
Open Access
Laurent Knerr, Thomas Cogswell, Marie. Ahlqvist, Richard James Lewis, Anneli Nordqvist, Christian Sköld
Conformational control of drug candidates to engineer improved potency and ADME properties is an ongoing area of research. Macrocyclic rings tend to offer a greater degree of rigidity than non-cyclised...
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Correction: Second-shell modulation on porphyrin-like Pt single atom catalysts for boosting oxygen reduction reaction

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC90219J, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Tayyaba Najam, Syed Shoaib Ahmad Shah, Hanqing Yin, Xin Xiao, Shamraiz Talib, Qianqian Ji, Yonggui Deng, Muhammad Sufyan Javed, Jie Hu, Ruo Zhao, Aijun Du, Xingke Cai, Qiang Xu
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Photo-triggered NO release of nitrosyl complexes bearing first-row transition metals and therapeutic applications

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06820C, Review Article
Open Access
Seungwon Sun, Jisu Choe, Jaeheung Cho
In biological systems, nitric oxide (NO) is a crucial signaling molecule that regulates a wide range of physiological and pathological processes. Given the significance of NO, there has been considerable...
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Selective lignin depolymerization via transfer hydrogenolysis using Pd/hydrotalcite catalysts: model compounds to whole biomass

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC03942D, Edge Article
Open Access
Darren Dolan, Rebekah Brucato, Christopher William Reid, Adam F. Lee, Karen Wilson, Adelina M Voutchkova-Kostal
Cleavage of lignin ether bonds via transfer hydrogenolysis is a promising route to valorize lignin, but processes that use mild reaction conditions and exploit renewable hydrogen donor solvents (rather than...
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Phenacylselenoesters allow facile selenium transfer and hydrogen selenide generation

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05788K, Edge Article
Open Access
Utsav Dey Sarkar, Mahima Rana, Harinath Chakrapani
A new series of phenacylselenoesters that generate hydrogen selenide in the presence of esterase and a biological thiol under ambient conditions is reported.
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A metabologenomics strategy for rapid discovery of polyketides derived from modular polyketide synthases

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04174G, Edge Article
Open Access
Run-Zhou Liu, Zhihan Zhang, Min Li, Lihan Zhang
A metabologenomics workflow using mass defect filtering (MDF) and bioinformatics-based structural prediction was established for rapid screening of modular polyketide natural products, and led to the identification of 22 polyketides.
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PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04854G, Edge Article
Open Access
Seonghwan Seo, Woo Youn Kim
PharmacoNet is developed for virtual screening, including deep learning-guided protein-based pharmacophore modeling, a parameterized analytical scoring function, and coarse-grained pose alignment. It is extremely fast yet reasonably accurate.
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M12L24 nanospheres as supramolecular templates for the controlled synthesis of Ir-nanoclusters and their use in the chemo-selective hydrogenation of nitro styrene

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06324D, Edge Article
Open Access
Lotte L. Metz, Rens Ham, Eduard Bobylev, Kelly J. H. Brouwer, Alfons van Blaaderen, Rim van de Poll, Victor Drozhzhin, Emiel J. M. Hensen, Joost N. H. Reek
Controlled preparation of ultrafine metal nanoclusters (<2 nm) is challenging, yet important as the properties of these clusters are inherently linked to their size and local microenvironment. In the present...
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Cyclic peptides targeting the SARS-CoV-2 programmed ribosomal frameshifting RNA from a multiplexed phage display library

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04026K, Edge Article
Open Access
Jacob A. Iannuzzelli, Rachel Bonn, Andrew S. Hong, Abhijith Saseendran Anitha, Jermaine L. Jenkins, Joseph E. Wedekind, Rudi Fasan
Cyclopeptide agents targeted against the −1 programmed ribosomal frameshifting stimulatory sequence RNA pseudoknot of SARS-CoV-2 were discovered by screening a multiplexed phage display library of genetically encoded peptide macrocycles.
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A polymer deposition-mediated surface-charge reformation strategy: reversing the MOF biomineralization behavior

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05935B, Edge Article
Open Access
Yanbin Xu, Huangsheng Yang, Anlian Huang, Linjing Tong, Wei Huang, Guosheng Chen, Wei Yi, Siming Huang, Gangfeng Ouyang
A biocompatible polymer deposition-mediated surface-charge reformation strategy is reported that enables the in-place MOF biomineralization onto different enzyme templates.
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Large second harmonic generation and birefringence from extended octupolar π-conjugated structures

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05756B, Edge Article
Open Access
Danyang Dou, Bingbing Zhang, Daqing Yang, Ying Wang
By adopting an extended octupolar π-conjugation strategy, two excellent optical functional materials with a strong SHG response and large birefringence were prepared.
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Strain-induced charge delocalization achieves ultralow exciton binding energy toward efficient photocatalysis

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05873A, Edge Article
Open Access
Junyuan Duan, Yinghe Zhao, Yu Wu, Youwen Liu, Junnian Chen, Ruoou Yang, Jiazhao Huang, Chuanqi Luo, Mao Wu, Xiaodong Zheng, Pengyu Li, Xueliang Jiang, Jianguo Guan, Tianyou Zhai
A novel approach of strain-induced charge delocalization is developed to significantly reduce the exciton binding energy of Ta2O5 nanorods to below ambient thermal energy, leading to a remarkable enhancement in photocatalytic hydrogen evolution.
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Analysis of the cryptic biosynthetic gene cluster encoding the RiPP curacozole reveals a phenylalanine-specific peptide hydroxylase

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC02262A, Edge Article
Open Access
Samantha Hollands, Julia Tasch, David J. Simon, Dimah Wassouf, Isobel Barber, Arne Gessner, Andreas Bechthold, David L. Zechel
The noncanonical biosynthesis of curacozole by Streptomyces curacoi is shown to be dependent on the bldA-encoded Leu-tRNAUUA. The minimal biosynthetic gene cluster is defined, and the functions of key biosynthetic enzymes are established in vitro.
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Cyclo[4]pyrrole with α–β direct linkages

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06670G, Edge Article
Open Access
Yuhua Sun, Riku Kitahara, Tomoya Ichino, Yuki Ide, Hisanori Senboku, Soji Shimizu, Takayuki Tanaka, Yasuhide Inokuma
A cyclo[4]pyrrole bearing pyrrole(α)–pyrrole(β) direct linkages was synthesized from an oligoketone precursor. Cyclo[4]pyrrole exhibited a non-planar macrocyclic structure whose global π-conjugation was altered depending on the dihedral angles.
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From small changes to big gains: pyridinium-based tetralactam macrocycle for enhanced sugar recognition in water

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06190J, Edge Article
Open Access
Canjia Zhai, Ethan Cross Zulueta, Alexander Mariscal, Chengkai Xu, Yunpeng Cui, Xudong Wang, Huang Wu, Carson Doan, Lukasz Wojtas, Haixin Zhang, Jianfeng Cai, Libin Ye, Kun Wang, Wenqi Liu
Incorporating pyridinium into an anthracene-based macrocycle significantly enhances its sugar binding affinity by increasing hydrogen bonding and expanding the contact surface area.
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Bridge Editing of Spin-Flip Emitters gives Insight into Excited State Energies and Dynamics

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC05860G, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Florian Reichenauer, Robert Naumann, Christoph Förster, Winald Robert Robert Kitzmann, Antti-Pekka M. Reponen, Sascha Feldmann, Katja Heinze
Six-coordinate chromium(III) complexes with high spin-flip (SF) photoluminescence quantum yields and lifetimes (molecular rubies) have attracted huge interest in the past years due to their applicability in sensing, photocatalysis or...
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Resonance Plasmonic Coupling: Selective Enhancement of Band Edge Emission over Trap State Emission of CdSe Quantum Dots

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC04960H, Edge Article
Open Access
Livin Paul, Elizabeth Mariam Thomas, Akshaya Chemmangat, Stephen Gray, K. George Thomas
The photoluminescence properties of quantum dots (QDs) are often enhanced by eliminating surface trap states through chemical methods. Alternatively, a physical approach is presented here for improving photoluminescence purity in...
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Surfing the Limits of Cyanine Photocages One Step at a Time

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC07165D, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Hana Janeková, Sergey Fisher, Tomas Solomek, Peter Stacko
Near-infrared light-activated photocages enable controlling molecules with tissue penetrating light. Understanding the structural aspects that govern the photouncaging process is essential to enhancing their efficacy, crucial for practical applications. Here...
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Understanding ketone hydrogenation catalysis with anionic iridium(III) complexes: The crucial role of counterion and solvation

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC04629C, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Paven Kisten, Sandrine Vincendeau, Eric Manoury, Jason Martin Lynam, John M. Slattery, Simon B Duckett, Agusti Lledos, Rinaldo Poli
The catalytic asymmetric hydrogenation of ketones reflect an important way to prepare valuable chiral alcohols. Understanding how transition metals promote these reactions is key to the rational design of more...
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Simultaneous generation of hydroxyl and hydrogen radicals from H+/OH− pairs caused by water–solid contact electrification

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06227B, Edge Article
Open Access
Fengjie Chen, Jingde Wu, Dou Wang, Yu Xia, Qingyuan Song, Ying Liang, Pu Wang, Bolei Chen, Yong Liang, Yongguang Yin, Yawei Wang, Maoyong Song, Guibin Jiang
Water–solid contact electrification is a common physical phenomenon involving interfacial electron and ion transfer, recently discovered to trigger unique redox reactions.
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Understanding the Formation of Nitrate from Nitrogen at the Interface of Gas-Water Microbubbles

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06989G, Edge Article
Open Access
Sandeep Bose, Yu Xia, Richard N. Zare
Understanding the Formation of Nitrate from Nitrogen at the Interface of Gas-Water MicrobubblesWater microbubbles containing Fe2+ ion has been found to efficiently transform nitrogen (N2) to nitrate (NO3-) by initiating...
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Electrochemical reconstruction of metal–organic gels into crystalline oxy-hydroxide heterostructures for efficient oxygen evolution electrocatalysis

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05799F, Edge Article
Open Access
Kang Liu, Haikuo Lan, Yuting Chen, Weicheng Tang, Zhenyu Xiao, Yunmei Du, Jun Xing, Zexing Wu, Lei Wang
An amorphous MOG electrochemically reconstitutes to a crystalline NiOOH/FeOOH heterostructure with the morphology changed from nanofibers to nanosheets as a high-performance OER electrocatalyst.
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Pnictogen-based vanadacyclobutadiene complexes

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05884D, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Mehrafshan G. Jafari, John B. Russell, Hwan Myung, Seongyeon Kwon, Patrick J. Carroll, Michael R. Gau, Mu-Hyun Baik, Daniel J. Mindiola
The reactivity of a [VV] alkylidyne with unsaturated substrates such as NCR (R = Ad or Ph) and PCAd leads to the formation of rare transition metal complexes featuring an α-aza-vanadacyclobutadiene and a β-phospha-vanadacyclobutadiene moieties.
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Dual ligand-enabled iron and halogen-containing carboxylate-based photocatalysis for chloro/fluoro-polyhaloalkylation of alkenes

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04038D, Edge Article
Open Access
Wanru Han, Zhenyan Zhao, Kui Jiang, Yu Lan, Xuehan Yu, Xiaoyu Jiang, Wei Yang, Donghui Wei, Shi-Jun Li, Linbin Niu
Dual ligand-enabled iron photocatalysis for the conversion of all kinds of halogen-containing carboxylates (CnXmCOO, X: F, Cl, Br) to CnXm radicals is disclosed for chloro/fluoro-polyhaloalkylation of non-activated alkenes.
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An interactive dual energy storage mechanism boosts high-performance aqueous zinc-ion batteries

Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05710D, Edge Article
Open Access
Shengen Gong, Meihua Zhu, Yan Zhou, Runan Li, Jianhua Zhang, Xiaoteng Jia, Danming Chao, Caiyun Wang
A conductive polymer cathode with high redox potential is realized by pre-doping Mn2+ into PANI, which demonstrates an interactive dual energy storage mechanism of reversible doping of multiple cations and dissolution–deposition of Mn2+.
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Synergetic effect of mild hypothermia and antioxidant treatment on ROS-mediated neuron injury under oxygen-glucose deprivation investigated by scanning electrochemical microscopy

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC05977H, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Junjie Zhang, Yulin Liu, Yuxiang Zhao, Siyu Zhang, Feng Xu, Fei Li
Ischemic stroke and reperfusion injury result in neuronal damage and dysfunction associated with oxidative stress, leading to overproduction of cellular reactive oxygen species (ROS) and reactive nitrogen species (RNS). In...
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Triple-Function Porphyrin in Glycopolymeric Photosensitizer: From PhotoATRP to Targeted PDT

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06466F, Edge Article
Open Access
Jiahui Lin, Zhiyuan Ma, Weiwei Zuo, Meifang Zhu
Porphyrin derivatives serve as photocatalysts in reversible-deactivation radical polymerization and as photosensitizers in photodynamic therapy (PDT). Herein, a triple function porphyrin, ZnTPPC6Br, was synthesized as photocatalyst and initiator for photoATRP....
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Pronounced Electronic Modulation of Geometrically-Regulated Metalloenediyne Cyclization

Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC05396F, Edge Article
Open Access
Sarah E. Lindahl, Erin M. Metzger, Chun-Hsing Chen, Maren Pink, Jeff Zaleski
Using a diverse array of thermally robust phosphine enediyne ligands (dxpeb, X = Ph, Ph-pOCH3, Ph-pCF3, Ph-m2CH3, Ph-m2CF3, iPr, Cy, and tBu) a novel suite of cisplatin-like Pt(II) metalloenediynes (3,...
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The seven qualities of successful male playback singers




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An auteur of diverse genres

Cary Fukunaga on his favourite version ofTrue Detective, the challenges of working onBeast of Nations, and why he’s a student of history




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Telecasting a strong message

AdhaFULL , a detective drama series on Doordarshan National, seeks to address the country’s coming-of-age issues




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Who is Doctor Strange?

Here’s a primer to get acquainted with the Marvel’s superhero universe’s most unique character




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Rediscovering repositories of heritage

Often considered dull and uninviting, Indian museums are storehouses of history and culture, and deserve repeat visits saysShailaja Tripathi




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Who’s Afraid of Roger Ballen?

The South African photographer whose strange and extreme works are difficult to turn away from, is displaying his work in India for only the second time




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A new twist in the military shooter genre

Without celebrating war and patriotism, Battlefield 1 manages to be fresh despite its dated milieu




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Why this balanced advantage fund is a useful addition amidst rough markets

ICICI Prudential Balanced Advantage juggles stocks, bonds and derivatives smartly for optimal returns




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Back to Basics: What should you know about Exchange Traded Funds?

Navigating the intricacies of ETF-investing involves understanding the disparity between an ETF’s market price and its Net Asset Value (NAV)




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Prudent crosses ₹1 lakh crore in MF Assets Under Management

Prudent became the second non-banking mutual fund distributor to achieve this milestone last Friday